data_17719
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17719
_Entry.PDB_ID 2LEO
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 17719
_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 GLU N N 21 121.800 121.800 124.665 -2.865 17719
2 1 1 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.729 -0.339 17719
3 1 1 . 1 1 2 2 GLU C C 21 176.100 176.100 175.137 0.963 17719
4 1 1 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.234 -0.034 17719
5 1 1 . 1 1 2 2 GLU CB C 21 30.300 30.300 30.111 0.189 17719
6 1 1 . 1 1 2 2 GLU H H 21 8.860 8.860 8.659 0.201 17719
7 1 1 . 1 1 3 3 ALA N N 22 126.000 126.000 125.346 0.654 17719
8 1 1 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.474 -0.204 17719
9 1 1 . 1 1 3 3 ALA C C 22 177.700 177.700 176.292 1.408 17719
10 1 1 . 1 1 3 3 ALA CA C 22 52.600 52.600 51.691 0.909 17719
11 1 1 . 1 1 3 3 ALA CB C 22 19.100 19.100 21.203 -2.103 17719
12 1 1 . 1 1 3 3 ALA H H 22 8.550 8.550 7.978 0.572 17719
13 1 1 . 1 1 4 4 ALA N N 23 123.600 123.600 122.975 0.625 17719
14 1 1 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.347 -0.037 17719
15 1 1 . 1 1 4 4 ALA C C 23 177.900 177.900 177.781 0.119 17719
16 1 1 . 1 1 4 4 ALA CA C 23 52.600 52.600 53.540 -0.940 17719
17 1 1 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.182 -0.082 17719
18 1 1 . 1 1 4 4 ALA H H 23 8.400 8.400 8.435 -0.035 17719
19 1 1 . 1 1 5 5 SER N N 24 115.100 115.100 115.846 -0.746 17719
20 1 1 . 1 1 5 5 SER HA H 24 4.440 4.440 4.626 -0.186 17719
21 1 1 . 1 1 5 5 SER C C 24 174.500 174.500 173.151 1.349 17719
22 1 1 . 1 1 5 5 SER CA C 24 58.200 58.200 57.421 0.779 17719
23 1 1 . 1 1 5 5 SER CB C 24 63.800 63.800 63.206 0.594 17719
24 1 1 . 1 1 5 5 SER H H 24 8.300 8.300 8.086 0.214 17719
25 1 1 . 1 1 6 6 LEU N N 25 124.200 124.200 127.160 -2.960 17719
26 1 1 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.334 0.096 17719
27 1 1 . 1 1 6 6 LEU C C 25 177.300 177.300 176.720 0.580 17719
28 1 1 . 1 1 6 6 LEU CA C 25 55.100 55.100 54.842 0.258 17719
29 1 1 . 1 1 6 6 LEU CB C 25 42.400 42.400 40.350 2.050 17719
30 1 1 . 1 1 6 6 LEU H H 25 8.320 8.320 8.610 -0.290 17719
31 1 1 . 1 1 7 7 SER N N 26 118.100 118.100 121.930 -3.830 17719
32 1 1 . 1 1 7 7 SER HA H 26 4.780 4.780 4.769 0.011 17719
33 1 1 . 1 1 7 7 SER C C 26 172.500 172.500 172.329 0.171 17719
34 1 1 . 1 1 7 7 SER CA C 26 56.400 56.400 56.237 0.163 17719
35 1 1 . 1 1 7 7 SER CB C 26 63.300 63.300 64.088 -0.788 17719
36 1 1 . 1 1 7 7 SER H H 26 8.330 8.330 8.303 0.027 17719
37 1 1 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.561 -0.091 17719
38 1 1 . 1 1 8 8 PRO C C 27 176.600 176.600 175.790 0.810 17719
39 1 1 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.405 0.595 17719
40 1 1 . 1 1 8 8 PRO CB C 27 32.400 32.400 31.535 0.865 17719
41 1 1 . 1 1 9 9 LYS N N 28 122.600 122.600 123.919 -1.319 17719
42 1 1 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.602 -0.382 17719
43 1 1 . 1 1 9 9 LYS C C 28 175.600 175.600 175.483 0.117 17719
44 1 1 . 1 1 9 9 LYS CA C 28 56.500 56.500 54.810 1.690 17719
45 1 1 . 1 1 9 9 LYS CB C 28 33.100 33.100 34.437 -1.337 17719
46 1 1 . 1 1 9 9 LYS H H 28 8.410 8.410 8.114 0.296 17719
47 1 1 . 1 1 10 10 LYS N N 29 123.700 123.700 121.676 2.024 17719
48 1 1 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.643 -0.323 17719
49 1 1 . 1 1 10 10 LYS C C 29 175.800 175.800 175.524 0.276 17719
50 1 1 . 1 1 10 10 LYS CA C 29 55.300 55.300 55.447 -0.147 17719
51 1 1 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.258 -0.358 17719
52 1 1 . 1 1 10 10 LYS H H 29 8.290 8.290 8.518 -0.228 17719
53 1 1 . 1 1 11 11 VAL N N 30 122.800 122.800 122.798 0.002 17719
54 1 1 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.979 -0.149 17719
55 1 1 . 1 1 11 11 VAL C C 30 174.400 174.400 176.038 -1.638 17719
56 1 1 . 1 1 11 11 VAL CA C 30 62.200 62.200 60.984 1.216 17719
57 1 1 . 1 1 11 11 VAL CB C 30 33.400 33.400 33.111 0.289 17719
58 1 1 . 1 1 11 11 VAL H H 30 8.010 8.010 8.376 -0.366 17719
59 1 1 . 1 1 12 12 ASP N N 31 126.200 126.200 122.459 3.741 17719
60 1 1 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.505 0.315 17719
61 1 1 . 1 1 12 12 ASP C C 31 176.800 176.800 175.419 1.381 17719
62 1 1 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.892 -2.692 17719
63 1 1 . 1 1 12 12 ASP CB C 31 41.000 41.000 39.740 1.260 17719
64 1 1 . 1 1 12 12 ASP H H 31 8.580 8.580 8.401 0.179 17719
65 1 1 . 1 1 13 13 CYS N N 32 121.600 121.600 124.350 -2.750 17719
66 1 1 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.739 0.311 17719
67 1 1 . 1 1 13 13 CYS C C 32 176.800 176.800 175.873 0.927 17719
68 1 1 . 1 1 13 13 CYS CA C 32 53.400 53.400 57.741 -4.341 17719
69 1 1 . 1 1 13 13 CYS CB C 32 33.400 33.400 28.349 5.051 17719
70 1 1 . 1 1 13 13 CYS H H 32 9.070 9.070 8.319 0.751 17719
71 1 1 . 1 1 14 14 SER N N 33 118.000 118.000 118.583 -0.583 17719
72 1 1 . 1 1 14 14 SER HA H 33 4.030 4.030 4.071 -0.041 17719
73 1 1 . 1 1 14 14 SER C C 33 177.100 177.100 176.395 0.705 17719
74 1 1 . 1 1 14 14 SER CA C 33 62.400 62.400 61.996 0.404 17719
75 1 1 . 1 1 14 14 SER CB C 33 62.600 62.600 63.008 -0.408 17719
76 1 1 . 1 1 14 14 SER H H 33 8.760 8.760 8.154 0.606 17719
77 1 1 . 1 1 15 15 ILE N N 34 117.700 117.700 116.562 1.138 17719
78 1 1 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.675 0.315 17719
79 1 1 . 1 1 15 15 ILE C C 34 176.600 176.600 176.022 0.578 17719
80 1 1 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.859 -0.359 17719
81 1 1 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.542 -0.142 17719
82 1 1 . 1 1 15 15 ILE H H 34 7.200 7.200 8.436 -1.236 17719
83 1 1 . 1 1 16 16 TYR N N 35 118.000 118.000 117.222 0.778 17719
84 1 1 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.698 -0.088 17719
85 1 1 . 1 1 16 16 TYR C C 35 176.300 176.300 177.859 -1.559 17719
86 1 1 . 1 1 16 16 TYR CA C 35 58.800 58.800 58.768 0.032 17719
87 1 1 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.833 -1.233 17719
88 1 1 . 1 1 16 16 TYR H H 35 7.470 7.470 7.332 0.139 17719
89 1 1 . 1 1 17 17 LYS N N 36 119.200 119.200 121.056 -1.856 17719
90 1 1 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.112 0.118 17719
91 1 1 . 1 1 17 17 LYS C C 36 176.300 176.300 177.173 -0.873 17719
92 1 1 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.475 0.225 17719
93 1 1 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.166 0.134 17719
94 1 1 . 1 1 17 17 LYS H H 36 7.590 7.590 8.124 -0.534 17719
95 1 1 . 1 1 18 18 LYS N N 37 115.100 115.100 117.118 -2.018 17719
96 1 1 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.035 0.115 17719
97 1 1 . 1 1 18 18 LYS C C 37 175.500 175.500 176.395 -0.895 17719
98 1 1 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.228 -0.528 17719
99 1 1 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.715 -1.016 17719
100 1 1 . 1 1 18 18 LYS H H 37 7.410 7.410 7.305 0.105 17719
101 1 1 . 1 1 19 19 TYR N N 38 120.200 120.200 119.113 1.087 17719
102 1 1 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.789 0.021 17719
103 1 1 . 1 1 19 19 TYR C C 38 173.600 173.600 173.662 -0.062 17719
104 1 1 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.711 1.789 17719
105 1 1 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.854 0.346 17719
106 1 1 . 1 1 19 19 TYR H H 38 7.390 7.390 7.601 -0.211 17719
107 1 1 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.447 0.133 17719
108 1 1 . 1 1 20 20 PRO C C 39 179.000 179.000 177.728 1.272 17719
109 1 1 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.839 0.261 17719
110 1 1 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.839 -1.139 17719
111 1 1 . 1 1 21 21 VAL N N 40 123.200 123.200 122.692 0.508 17719
112 1 1 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.786 0.234 17719
113 1 1 . 1 1 21 21 VAL C C 40 176.400 176.400 177.251 -0.851 17719
114 1 1 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.129 -0.429 17719
115 1 1 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.393 0.607 17719
116 1 1 . 1 1 21 21 VAL H H 40 8.400 8.400 8.531 -0.131 17719
117 1 1 . 1 1 22 22 VAL N N 41 110.600 110.600 115.664 -5.064 17719
118 1 1 . 1 1 22 22 VAL HA H 41 4.210 4.210 3.979 0.231 17719
119 1 1 . 1 1 22 22 VAL C C 41 175.600 175.600 175.704 -0.104 17719
120 1 1 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.117 -1.617 17719
121 1 1 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.627 0.173 17719
122 1 1 . 1 1 22 22 VAL H H 41 7.140 7.140 7.798 -0.658 17719
123 1 1 . 1 1 23 23 ALA N N 42 126.600 126.600 123.773 2.827 17719
124 1 1 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.570 -0.080 17719
125 1 1 . 1 1 23 23 ALA C C 42 175.700 175.700 175.727 -0.027 17719
126 1 1 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.096 0.304 17719
127 1 1 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.519 -0.419 17719
128 1 1 . 1 1 23 23 ALA H H 42 8.280 8.280 7.546 0.734 17719
129 1 1 . 1 1 24 24 ILE N N 43 123.300 123.300 124.534 -1.234 17719
130 1 1 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.251 -0.411 17719
131 1 1 . 1 1 24 24 ILE C C 43 174.900 174.900 173.447 1.453 17719
132 1 1 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.871 1.629 17719
133 1 1 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.175 -1.175 17719
134 1 1 . 1 1 24 24 ILE H H 43 7.970 7.970 8.040 -0.070 17719
135 1 1 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.329 0.151 17719
136 1 1 . 1 1 25 25 PRO C C 44 175.900 175.900 175.726 0.174 17719
137 1 1 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.421 -0.621 17719
138 1 1 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.692 -1.292 17719
139 1 1 . 1 1 26 26 CYS N N 45 120.500 120.500 121.913 -1.413 17719
140 1 1 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.625 0.765 17719
141 1 1 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.488 -6.588 17719
142 1 1 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.491 6.909 17719
143 1 1 . 1 1 26 26 CYS H H 45 8.290 8.290 8.397 -0.107 17719
144 1 1 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.601 0.049 17719
145 1 1 . 1 1 27 27 PRO C C 46 177.000 177.000 176.579 0.421 17719
146 1 1 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.706 -0.306 17719
147 1 1 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.387 0.513 17719
148 1 1 . 1 1 28 28 ILE N N 47 116.600 116.600 114.142 2.458 17719
149 1 1 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.297 0.063 17719
150 1 1 . 1 1 28 28 ILE C C 47 176.200 176.200 175.582 0.618 17719
151 1 1 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.226 0.074 17719
152 1 1 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.256 0.744 17719
153 1 1 . 1 1 28 28 ILE H H 47 8.590 8.590 8.201 0.389 17719
154 1 1 . 1 1 29 29 THR N N 48 114.700 114.700 117.158 -2.458 17719
155 1 1 . 1 1 29 29 THR HA H 48 3.890 3.890 4.464 -0.574 17719
156 1 1 . 1 1 29 29 THR C C 48 173.200 173.200 173.208 -0.008 17719
157 1 1 . 1 1 29 29 THR CA C 48 62.600 62.600 61.907 0.693 17719
158 1 1 . 1 1 29 29 THR CB C 48 70.000 70.000 69.598 0.402 17719
159 1 1 . 1 1 29 29 THR H H 48 7.130 7.130 7.482 -0.352 17719
160 1 1 . 1 1 30 30 TYR N N 49 129.100 129.100 127.603 1.497 17719
161 1 1 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.765 0.195 17719
162 1 1 . 1 1 30 30 TYR C C 49 173.900 173.900 174.316 -0.416 17719
163 1 1 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.402 0.198 17719
164 1 1 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.785 -1.785 17719
165 1 1 . 1 1 30 30 TYR H H 49 9.020 9.020 8.595 0.425 17719
166 1 1 . 1 1 31 31 LEU N N 50 131.700 131.700 129.995 1.705 17719
167 1 1 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.821 -0.261 17719
168 1 1 . 1 1 31 31 LEU C C 50 172.200 172.200 174.309 -2.109 17719
169 1 1 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.443 1.157 17719
170 1 1 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.797 -1.897 17719
171 1 1 . 1 1 31 31 LEU H H 50 8.600 8.600 8.551 0.049 17719
172 1 1 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.815 -0.375 17719
173 1 1 . 1 1 32 32 PRO C C 51 176.800 176.800 176.520 0.280 17719
174 1 1 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.462 0.238 17719
175 1 1 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.465 1.435 17719
176 1 1 . 1 1 33 33 VAL N N 52 110.700 110.700 118.732 -8.032 17719
177 1 1 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.647 0.073 17719
178 1 1 . 1 1 33 33 VAL C C 52 172.600 172.600 174.037 -1.437 17719
179 1 1 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.924 -0.324 17719
180 1 1 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.243 0.457 17719
181 1 1 . 1 1 33 33 VAL H H 52 8.230 8.230 8.498 -0.268 17719
182 1 1 . 1 1 34 34 CYS N N 53 122.200 122.200 122.354 -0.154 17719
183 1 1 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.323 -0.233 17719
184 1 1 . 1 1 34 34 CYS C C 53 175.600 175.600 174.932 0.668 17719
185 1 1 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.201 -1.701 17719
186 1 1 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.957 10.343 17719
187 1 1 . 1 1 34 34 CYS H H 53 8.550 8.550 8.800 -0.250 17719
188 1 1 . 1 1 35 35 GLY N N 54 115.900 115.900 113.428 2.472 17719
189 1 1 . 1 1 35 35 GLY C C 54 174.500 174.500 174.966 -0.466 17719
190 1 1 . 1 1 35 35 GLY CA C 54 44.700 44.700 44.035 0.665 17719
191 1 1 . 1 1 35 35 GLY H H 54 9.060 9.060 9.116 -0.056 17719
192 1 1 . 1 1 36 36 SER N N 55 113.400 113.400 115.697 -2.297 17719
193 1 1 . 1 1 36 36 SER HA H 55 3.760 3.760 4.004 -0.244 17719
194 1 1 . 1 1 36 36 SER C C 55 173.300 173.300 174.956 -1.656 17719
195 1 1 . 1 1 36 36 SER CA C 55 60.400 60.400 60.778 -0.378 17719
196 1 1 . 1 1 36 36 SER CB C 55 62.300 62.300 63.266 -0.966 17719
197 1 1 . 1 1 36 36 SER H H 55 9.270 9.270 8.674 0.596 17719
198 1 1 . 1 1 37 37 ASP N N 56 121.100 121.100 121.025 0.075 17719
199 1 1 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.560 -0.220 17719
200 1 1 . 1 1 37 37 ASP C C 56 175.600 175.600 175.637 -0.037 17719
201 1 1 . 1 1 37 37 ASP CA C 56 53.100 53.100 54.107 -1.007 17719
202 1 1 . 1 1 37 37 ASP CB C 56 39.600 39.600 41.060 -1.460 17719
203 1 1 . 1 1 37 37 ASP H H 56 9.150 9.150 8.187 0.963 17719
204 1 1 . 1 1 38 38 TYR N N 57 116.100 116.100 113.741 2.359 17719
205 1 1 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.229 -0.219 17719
206 1 1 . 1 1 38 38 TYR C C 57 174.700 174.700 174.267 0.433 17719
207 1 1 . 1 1 38 38 TYR CA C 57 61.000 61.000 58.786 2.214 17719
208 1 1 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.533 -1.233 17719
209 1 1 . 1 1 38 38 TYR H H 57 8.630 8.630 7.563 1.067 17719
210 1 1 . 1 1 39 39 ILE N N 58 120.700 120.700 120.963 -0.263 17719
211 1 1 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.321 -0.311 17719
212 1 1 . 1 1 39 39 ILE C C 58 174.900 174.900 175.665 -0.765 17719
213 1 1 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.345 -0.045 17719
214 1 1 . 1 1 39 39 ILE CB C 58 37.600 37.600 39.029 -1.429 17719
215 1 1 . 1 1 39 39 ILE H H 58 7.480 7.480 7.492 -0.012 17719
216 1 1 . 1 1 40 40 THR N N 59 123.700 123.700 123.415 0.285 17719
217 1 1 . 1 1 40 40 THR HA H 59 4.670 4.670 4.895 -0.225 17719
218 1 1 . 1 1 40 40 THR C C 59 174.800 174.800 173.594 1.206 17719
219 1 1 . 1 1 40 40 THR CA C 59 62.700 62.700 62.650 0.050 17719
220 1 1 . 1 1 40 40 THR CB C 59 68.900 68.900 69.680 -0.779 17719
221 1 1 . 1 1 40 40 THR H H 59 8.090 8.090 8.472 -0.382 17719
222 1 1 . 1 1 41 41 TYR N N 60 129.700 129.700 125.740 3.960 17719
223 1 1 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.687 -0.277 17719
224 1 1 . 1 1 41 41 TYR C C 60 177.200 177.200 176.737 0.463 17719
225 1 1 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.169 1.031 17719
226 1 1 . 1 1 41 41 TYR CB C 60 41.800 41.800 41.254 0.546 17719
227 1 1 . 1 1 41 41 TYR H H 60 9.550 9.550 9.219 0.331 17719
228 1 1 . 1 1 42 42 GLY N N 61 107.800 107.800 108.739 -0.939 17719
229 1 1 . 1 1 42 42 GLY C C 61 172.800 172.800 172.632 0.168 17719
230 1 1 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.962 1.738 17719
231 1 1 . 1 1 42 42 GLY H H 61 9.310 9.310 8.984 0.326 17719
232 1 1 . 1 1 43 43 ASN N N 62 104.600 104.600 113.317 -8.717 17719
233 1 1 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.111 -0.161 17719
234 1 1 . 1 1 43 43 ASN C C 62 176.700 176.700 175.163 1.537 17719
235 1 1 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.676 0.824 17719
236 1 1 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.870 0.030 17719
237 1 1 . 1 1 43 43 ASN H H 62 7.380 7.380 7.712 -0.332 17719
238 1 1 . 1 1 44 44 GLU N N 63 118.300 118.300 119.658 -1.358 17719
239 1 1 . 1 1 44 44 GLU HA H 63 3.890 3.890 3.952 -0.062 17719
240 1 1 . 1 1 44 44 GLU C C 63 176.100 176.100 177.498 -1.398 17719
241 1 1 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.494 0.206 17719
242 1 1 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.547 1.252 17719
243 1 1 . 1 1 44 44 GLU H H 63 9.310 9.310 8.724 0.586 17719
244 1 1 . 1 1 45 45 CYS N N 64 121.400 121.400 121.191 0.209 17719
245 1 1 . 1 1 45 45 CYS HA H 64 3.370 3.370 2.986 0.384 17719
246 1 1 . 1 1 45 45 CYS C C 64 177.700 177.700 176.148 1.552 17719
247 1 1 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.717 -1.617 17719
248 1 1 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.219 10.181 17719
249 1 1 . 1 1 45 45 CYS H H 64 8.270 8.270 8.251 0.019 17719
250 1 1 . 1 1 46 46 HIS N N 65 121.000 121.000 118.752 2.248 17719
251 1 1 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.289 0.091 17719
252 1 1 . 1 1 46 46 HIS C C 65 177.800 177.800 177.773 0.027 17719
253 1 1 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.172 0.528 17719
254 1 1 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.309 0.191 17719
255 1 1 . 1 1 46 46 HIS H H 65 8.120 8.120 8.386 -0.266 17719
256 1 1 . 1 1 47 47 LEU N N 66 122.300 122.300 121.060 1.240 17719
257 1 1 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.143 -0.293 17719
258 1 1 . 1 1 47 47 LEU C C 66 178.300 178.300 178.330 -0.030 17719
259 1 1 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.615 0.885 17719
260 1 1 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.315 -0.715 17719
261 1 1 . 1 1 47 47 LEU H H 66 7.630 7.630 8.107 -0.477 17719
262 1 1 . 1 1 48 48 CYS N N 67 117.500 117.500 118.493 -0.993 17719
263 1 1 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.977 0.463 17719
264 1 1 . 1 1 48 48 CYS C C 67 176.700 176.700 177.086 -0.386 17719
265 1 1 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.701 -5.501 17719
266 1 1 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.027 10.073 17719
267 1 1 . 1 1 48 48 CYS H H 67 8.960 8.960 8.428 0.532 17719
268 1 1 . 1 1 49 49 THR N N 68 118.000 118.000 116.933 1.067 17719
269 1 1 . 1 1 49 49 THR HA H 68 3.800 3.800 3.962 -0.163 17719
270 1 1 . 1 1 49 49 THR C C 68 175.400 175.400 177.004 -1.604 17719
271 1 1 . 1 1 49 49 THR CA C 68 67.600 67.600 67.230 0.370 17719
272 1 1 . 1 1 49 49 THR CB C 68 68.800 68.800 68.080 0.720 17719
273 1 1 . 1 1 49 49 THR H H 68 8.330 8.330 8.188 0.142 17719
274 1 1 . 1 1 50 50 GLU N N 69 121.300 121.300 121.216 0.084 17719
275 1 1 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.177 0.083 17719
276 1 1 . 1 1 50 50 GLU C C 69 180.000 180.000 178.921 1.079 17719
277 1 1 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.904 -0.704 17719
278 1 1 . 1 1 50 50 GLU CB C 69 28.600 28.600 28.885 -0.285 17719
279 1 1 . 1 1 50 50 GLU H H 69 7.070 7.070 7.675 -0.605 17719
280 1 1 . 1 1 51 51 SER N N 70 117.100 117.100 116.922 0.178 17719
281 1 1 . 1 1 51 51 SER HA H 70 4.030 4.030 4.347 -0.317 17719
282 1 1 . 1 1 51 51 SER C C 70 177.800 177.800 176.464 1.336 17719
283 1 1 . 1 1 51 51 SER CA C 70 62.400 62.400 61.803 0.597 17719
284 1 1 . 1 1 51 51 SER CB C 70 64.900 64.900 62.875 2.025 17719
285 1 1 . 1 1 51 51 SER H H 70 9.040 9.040 8.207 0.833 17719
286 1 1 . 1 1 52 52 LEU N N 71 119.100 119.100 120.793 -1.693 17719
287 1 1 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.069 0.131 17719
288 1 1 . 1 1 52 52 LEU C C 71 181.400 181.400 179.423 1.977 17719
289 1 1 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.754 0.146 17719
290 1 1 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.623 -0.323 17719
291 1 1 . 1 1 52 52 LEU H H 71 8.540 8.540 8.529 0.011 17719
292 1 1 . 1 1 53 53 LYS N N 72 121.700 121.700 121.082 0.618 17719
293 1 1 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.064 -0.024 17719
294 1 1 . 1 1 53 53 LYS C C 72 177.600 177.600 178.060 -0.460 17719
295 1 1 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.087 0.713 17719
296 1 1 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.669 0.431 17719
297 1 1 . 1 1 53 53 LYS H H 72 8.380 8.380 8.039 0.341 17719
298 1 1 . 1 1 54 54 SER N N 73 111.300 111.300 112.489 -1.189 17719
299 1 1 . 1 1 54 54 SER HA H 73 4.600 4.600 4.575 0.025 17719
300 1 1 . 1 1 54 54 SER C C 73 175.300 175.300 173.265 2.035 17719
301 1 1 . 1 1 54 54 SER CA C 73 58.300 58.300 58.196 0.104 17719
302 1 1 . 1 1 54 54 SER CB C 73 64.700 64.700 63.695 1.005 17719
303 1 1 . 1 1 54 54 SER H H 73 8.150 8.150 8.132 0.018 17719
304 1 1 . 1 1 55 55 ASN N N 74 120.000 120.000 119.117 0.883 17719
305 1 1 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.339 0.171 17719
306 1 1 . 1 1 55 55 ASN C C 74 175.600 175.600 175.396 0.204 17719
307 1 1 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.596 -0.097 17719
308 1 1 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.362 0.738 17719
309 1 1 . 1 1 55 55 ASN H H 74 8.070 8.070 7.688 0.382 17719
310 1 1 . 1 1 56 56 GLY N N 75 103.900 103.900 106.100 -2.200 17719
311 1 1 . 1 1 56 56 GLY C C 75 174.700 174.700 174.020 0.680 17719
312 1 1 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.582 -0.582 17719
313 1 1 . 1 1 56 56 GLY H H 75 8.970 8.970 8.851 0.119 17719
314 1 1 . 1 1 57 57 ARG N N 76 122.200 122.200 119.787 2.413 17719
315 1 1 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.066 -0.026 17719
316 1 1 . 1 1 57 57 ARG C C 76 177.200 177.200 175.539 1.661 17719
317 1 1 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.755 0.445 17719
318 1 1 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.792 -0.392 17719
319 1 1 . 1 1 57 57 ARG H H 76 7.600 7.600 7.461 0.139 17719
320 1 1 . 1 1 58 58 VAL N N 77 117.000 117.000 117.807 -0.807 17719
321 1 1 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.505 -0.795 17719
322 1 1 . 1 1 58 58 VAL C C 77 174.500 174.500 173.870 0.630 17719
323 1 1 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.718 2.482 17719
324 1 1 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.694 0.106 17719
325 1 1 . 1 1 58 58 VAL H H 77 7.340 7.340 7.719 -0.379 17719
326 1 1 . 1 1 59 59 GLN N N 78 125.000 125.000 128.407 -3.407 17719
327 1 1 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.878 -0.398 17719
328 1 1 . 1 1 59 59 GLN C C 78 174.900 174.900 174.729 0.171 17719
329 1 1 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.185 -0.385 17719
330 1 1 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.825 -0.225 17719
331 1 1 . 1 1 59 59 GLN H H 78 8.510 8.510 9.165 -0.655 17719
332 1 1 . 1 1 60 60 PHE N N 79 121.400 121.400 120.369 1.031 17719
333 1 1 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.443 -0.493 17719
334 1 1 . 1 1 60 60 PHE C C 79 173.900 173.900 174.012 -0.112 17719
335 1 1 . 1 1 60 60 PHE CA C 79 60.300 60.300 58.287 2.013 17719
336 1 1 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.805 0.095 17719
337 1 1 . 1 1 60 60 PHE H H 79 9.050 9.050 8.236 0.814 17719
338 1 1 . 1 1 61 61 LEU N N 80 128.900 128.900 126.368 2.532 17719
339 1 1 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.341 0.179 17719
340 1 1 . 1 1 61 61 LEU C C 80 175.700 175.700 174.696 1.004 17719
341 1 1 . 1 1 61 61 LEU CA C 80 56.000 56.000 54.294 1.706 17719
342 1 1 . 1 1 61 61 LEU CB C 80 44.400 44.400 44.597 -0.197 17719
343 1 1 . 1 1 61 61 LEU H H 80 8.270 8.270 8.578 -0.308 17719
344 1 1 . 1 1 62 62 HIS N N 81 107.500 107.500 110.149 -2.649 17719
345 1 1 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.361 0.009 17719
346 1 1 . 1 1 62 62 HIS C C 81 172.000 172.000 172.280 -0.280 17719
347 1 1 . 1 1 62 62 HIS CA C 81 55.100 55.100 54.023 1.077 17719
348 1 1 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.734 -2.034 17719
349 1 1 . 1 1 62 62 HIS H H 81 6.860 6.860 7.072 -0.212 17719
350 1 1 . 1 1 63 63 ASP N N 82 120.900 120.900 118.669 2.231 17719
351 1 1 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.612 0.288 17719
352 1 1 . 1 1 63 63 ASP C C 82 178.500 178.500 177.004 1.496 17719
353 1 1 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.179 1.421 17719
354 1 1 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.992 0.408 17719
355 1 1 . 1 1 63 63 ASP H H 82 9.330 9.330 8.452 0.878 17719
356 1 1 . 1 1 64 64 GLY N N 83 114.500 114.500 110.277 4.223 17719
357 1 1 . 1 1 64 64 GLY C C 83 170.400 170.400 173.864 -3.464 17719
358 1 1 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.559 0.341 17719
359 1 1 . 1 1 64 64 GLY H H 83 8.330 8.330 8.541 -0.211 17719
360 1 1 . 1 1 65 65 SER N N 84 107.400 107.400 116.207 -8.807 17719
361 1 1 . 1 1 65 65 SER HA H 84 4.140 4.140 4.384 -0.244 17719
362 1 1 . 1 1 65 65 SER C C 84 176.400 176.400 175.399 1.001 17719
363 1 1 . 1 1 65 65 SER CA C 84 58.300 58.300 59.032 -0.732 17719
364 1 1 . 1 1 65 65 SER CB C 84 63.900 63.900 63.768 0.132 17719
365 1 1 . 1 1 65 65 SER H H 84 7.870 7.870 8.140 -0.270 17719
366 1 2 . 1 1 2 2 GLU N N 21 121.800 121.800 121.048 0.752 17719
367 1 2 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.312 0.078 17719
368 1 2 . 1 1 2 2 GLU C C 21 176.100 176.100 176.524 -0.424 17719
369 1 2 . 1 1 2 2 GLU CA C 21 56.200 56.200 57.202 -1.002 17719
370 1 2 . 1 1 2 2 GLU CB C 21 30.300 30.300 29.881 0.419 17719
371 1 2 . 1 1 2 2 GLU H H 21 8.860 8.860 9.110 -0.250 17719
372 1 2 . 1 1 3 3 ALA N N 22 126.000 126.000 122.036 3.964 17719
373 1 2 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.440 -0.170 17719
374 1 2 . 1 1 3 3 ALA C C 22 177.700 177.700 176.630 1.070 17719
375 1 2 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.349 0.251 17719
376 1 2 . 1 1 3 3 ALA CB C 22 19.100 19.100 20.373 -1.273 17719
377 1 2 . 1 1 3 3 ALA H H 22 8.550 8.550 8.317 0.233 17719
378 1 2 . 1 1 4 4 ALA N N 23 123.600 123.600 121.517 2.083 17719
379 1 2 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.681 -0.371 17719
380 1 2 . 1 1 4 4 ALA C C 23 177.900 177.900 176.252 1.648 17719
381 1 2 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.582 0.018 17719
382 1 2 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.850 -0.750 17719
383 1 2 . 1 1 4 4 ALA H H 23 8.400 8.400 7.828 0.572 17719
384 1 2 . 1 1 5 5 SER N N 24 115.100 115.100 119.096 -3.996 17719
385 1 2 . 1 1 5 5 SER HA H 24 4.440 4.440 4.455 -0.015 17719
386 1 2 . 1 1 5 5 SER C C 24 174.500 174.500 174.487 0.013 17719
387 1 2 . 1 1 5 5 SER CA C 24 58.200 58.200 58.689 -0.489 17719
388 1 2 . 1 1 5 5 SER CB C 24 63.800 63.800 63.249 0.551 17719
389 1 2 . 1 1 5 5 SER H H 24 8.300 8.300 8.645 -0.345 17719
390 1 2 . 1 1 6 6 LEU N N 25 124.200 124.200 120.829 3.371 17719
391 1 2 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.092 0.338 17719
392 1 2 . 1 1 6 6 LEU C C 25 177.300 177.300 176.587 0.713 17719
393 1 2 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.487 -0.387 17719
394 1 2 . 1 1 6 6 LEU CB C 25 42.400 42.400 42.068 0.332 17719
395 1 2 . 1 1 6 6 LEU H H 25 8.320 8.320 7.612 0.708 17719
396 1 2 . 1 1 7 7 SER N N 26 118.100 118.100 117.167 0.933 17719
397 1 2 . 1 1 7 7 SER HA H 26 4.780 4.780 4.717 0.063 17719
398 1 2 . 1 1 7 7 SER C C 26 172.500 172.500 172.775 -0.275 17719
399 1 2 . 1 1 7 7 SER CA C 26 56.400 56.400 56.415 -0.015 17719
400 1 2 . 1 1 7 7 SER CB C 26 63.300 63.300 63.872 -0.572 17719
401 1 2 . 1 1 7 7 SER H H 26 8.330 8.330 8.349 -0.019 17719
402 1 2 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.526 -0.056 17719
403 1 2 . 1 1 8 8 PRO C C 27 176.600 176.600 176.032 0.568 17719
404 1 2 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.564 0.436 17719
405 1 2 . 1 1 8 8 PRO CB C 27 32.400 32.400 31.780 0.620 17719
406 1 2 . 1 1 9 9 LYS N N 28 122.600 122.600 125.291 -2.691 17719
407 1 2 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.337 -0.117 17719
408 1 2 . 1 1 9 9 LYS C C 28 175.600 175.600 176.169 -0.569 17719
409 1 2 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.589 -0.089 17719
410 1 2 . 1 1 9 9 LYS CB C 28 33.100 33.100 31.992 1.108 17719
411 1 2 . 1 1 9 9 LYS H H 28 8.410 8.410 8.413 -0.003 17719
412 1 2 . 1 1 10 10 LYS N N 29 123.700 123.700 123.615 0.085 17719
413 1 2 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.528 -0.208 17719
414 1 2 . 1 1 10 10 LYS C C 29 175.800 175.800 174.927 0.873 17719
415 1 2 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.956 0.344 17719
416 1 2 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.682 -0.782 17719
417 1 2 . 1 1 10 10 LYS H H 29 8.290 8.290 8.052 0.238 17719
418 1 2 . 1 1 11 11 VAL N N 30 122.800 122.800 121.114 1.686 17719
419 1 2 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.652 0.178 17719
420 1 2 . 1 1 11 11 VAL C C 30 174.400 174.400 174.267 0.133 17719
421 1 2 . 1 1 11 11 VAL CA C 30 62.200 62.200 62.716 -0.516 17719
422 1 2 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.422 0.978 17719
423 1 2 . 1 1 11 11 VAL H H 30 8.010 8.010 7.970 0.040 17719
424 1 2 . 1 1 12 12 ASP N N 31 126.200 126.200 125.322 0.878 17719
425 1 2 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.559 0.261 17719
426 1 2 . 1 1 12 12 ASP C C 31 176.800 176.800 175.704 1.096 17719
427 1 2 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.488 -2.288 17719
428 1 2 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.753 0.247 17719
429 1 2 . 1 1 12 12 ASP H H 31 8.580 8.580 8.424 0.156 17719
430 1 2 . 1 1 13 13 CYS N N 32 121.600 121.600 124.970 -3.370 17719
431 1 2 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.743 0.307 17719
432 1 2 . 1 1 13 13 CYS C C 32 176.800 176.800 175.608 1.192 17719
433 1 2 . 1 1 13 13 CYS CA C 32 53.400 53.400 57.831 -4.431 17719
434 1 2 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.330 6.070 17719
435 1 2 . 1 1 13 13 CYS H H 32 9.070 9.070 8.642 0.428 17719
436 1 2 . 1 1 14 14 SER N N 33 118.000 118.000 118.300 -0.300 17719
437 1 2 . 1 1 14 14 SER HA H 33 4.030 4.030 4.181 -0.151 17719
438 1 2 . 1 1 14 14 SER C C 33 177.100 177.100 176.061 1.039 17719
439 1 2 . 1 1 14 14 SER CA C 33 62.400 62.400 61.837 0.563 17719
440 1 2 . 1 1 14 14 SER CB C 33 62.600 62.600 62.970 -0.370 17719
441 1 2 . 1 1 14 14 SER H H 33 8.760 8.760 8.589 0.171 17719
442 1 2 . 1 1 15 15 ILE N N 34 117.700 117.700 116.850 0.850 17719
443 1 2 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.819 0.171 17719
444 1 2 . 1 1 15 15 ILE C C 34 176.600 176.600 177.051 -0.451 17719
445 1 2 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.880 -0.380 17719
446 1 2 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.662 -0.262 17719
447 1 2 . 1 1 15 15 ILE H H 34 7.200 7.200 7.821 -0.621 17719
448 1 2 . 1 1 16 16 TYR N N 35 118.000 118.000 118.888 -0.888 17719
449 1 2 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.636 -0.025 17719
450 1 2 . 1 1 16 16 TYR C C 35 176.300 176.300 177.621 -1.321 17719
451 1 2 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.895 -1.095 17719
452 1 2 . 1 1 16 16 TYR CB C 35 37.600 37.600 37.655 -0.055 17719
453 1 2 . 1 1 16 16 TYR H H 35 7.470 7.470 7.330 0.140 17719
454 1 2 . 1 1 17 17 LYS N N 36 119.200 119.200 117.996 1.204 17719
455 1 2 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.169 0.061 17719
456 1 2 . 1 1 17 17 LYS C C 36 176.300 176.300 176.979 -0.679 17719
457 1 2 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.031 0.669 17719
458 1 2 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.859 0.441 17719
459 1 2 . 1 1 17 17 LYS H H 36 7.590 7.590 7.363 0.227 17719
460 1 2 . 1 1 18 18 LYS N N 37 115.100 115.100 116.494 -1.394 17719
461 1 2 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.024 0.126 17719
462 1 2 . 1 1 18 18 LYS C C 37 175.500 175.500 176.477 -0.977 17719
463 1 2 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.859 -0.159 17719
464 1 2 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.168 -0.468 17719
465 1 2 . 1 1 18 18 LYS H H 37 7.410 7.410 7.139 0.271 17719
466 1 2 . 1 1 19 19 TYR N N 38 120.200 120.200 119.486 0.714 17719
467 1 2 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.763 0.047 17719
468 1 2 . 1 1 19 19 TYR C C 38 173.600 173.600 173.690 -0.090 17719
469 1 2 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.470 2.030 17719
470 1 2 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.255 -0.056 17719
471 1 2 . 1 1 19 19 TYR H H 38 7.390 7.390 7.458 -0.068 17719
472 1 2 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.500 0.080 17719
473 1 2 . 1 1 20 20 PRO C C 39 179.000 179.000 177.923 1.077 17719
474 1 2 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.931 0.169 17719
475 1 2 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.692 -0.992 17719
476 1 2 . 1 1 21 21 VAL N N 40 123.200 123.200 123.284 -0.084 17719
477 1 2 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.745 0.275 17719
478 1 2 . 1 1 21 21 VAL C C 40 176.400 176.400 177.262 -0.862 17719
479 1 2 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.237 -0.538 17719
480 1 2 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.849 0.151 17719
481 1 2 . 1 1 21 21 VAL H H 40 8.400 8.400 8.410 -0.010 17719
482 1 2 . 1 1 22 22 VAL N N 41 110.600 110.600 116.697 -6.097 17719
483 1 2 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.060 0.150 17719
484 1 2 . 1 1 22 22 VAL C C 41 175.600 175.600 175.550 0.050 17719
485 1 2 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.036 -1.536 17719
486 1 2 . 1 1 22 22 VAL CB C 41 31.800 31.800 32.096 -0.296 17719
487 1 2 . 1 1 22 22 VAL H H 41 7.140 7.140 7.685 -0.545 17719
488 1 2 . 1 1 23 23 ALA N N 42 126.600 126.600 123.424 3.176 17719
489 1 2 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.603 -0.113 17719
490 1 2 . 1 1 23 23 ALA C C 42 175.700 175.700 175.962 -0.262 17719
491 1 2 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.035 0.365 17719
492 1 2 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.552 -0.452 17719
493 1 2 . 1 1 23 23 ALA H H 42 8.280 8.280 7.515 0.765 17719
494 1 2 . 1 1 24 24 ILE N N 43 123.300 123.300 124.547 -1.247 17719
495 1 2 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.351 -0.511 17719
496 1 2 . 1 1 24 24 ILE C C 43 174.900 174.900 173.790 1.110 17719
497 1 2 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.936 1.564 17719
498 1 2 . 1 1 24 24 ILE CB C 43 39.000 39.000 39.599 -0.599 17719
499 1 2 . 1 1 24 24 ILE H H 43 7.970 7.970 8.060 -0.090 17719
500 1 2 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.371 0.109 17719
501 1 2 . 1 1 25 25 PRO C C 44 175.900 175.900 175.424 0.476 17719
502 1 2 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.598 -0.798 17719
503 1 2 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.815 -1.415 17719
504 1 2 . 1 1 26 26 CYS N N 45 120.500 120.500 121.417 -0.917 17719
505 1 2 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.695 0.695 17719
506 1 2 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.495 -6.595 17719
507 1 2 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.570 6.830 17719
508 1 2 . 1 1 26 26 CYS H H 45 8.290 8.290 8.340 -0.050 17719
509 1 2 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.586 0.064 17719
510 1 2 . 1 1 27 27 PRO C C 46 177.000 177.000 176.491 0.509 17719
511 1 2 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.660 -0.260 17719
512 1 2 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.834 0.066 17719
513 1 2 . 1 1 28 28 ILE N N 47 116.600 116.600 113.223 3.377 17719
514 1 2 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.238 0.122 17719
515 1 2 . 1 1 28 28 ILE C C 47 176.200 176.200 175.768 0.432 17719
516 1 2 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.854 -0.554 17719
517 1 2 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.714 0.286 17719
518 1 2 . 1 1 28 28 ILE H H 47 8.590 8.590 8.193 0.397 17719
519 1 2 . 1 1 29 29 THR N N 48 114.700 114.700 117.509 -2.809 17719
520 1 2 . 1 1 29 29 THR HA H 48 3.890 3.890 4.258 -0.368 17719
521 1 2 . 1 1 29 29 THR C C 48 173.200 173.200 173.461 -0.261 17719
522 1 2 . 1 1 29 29 THR CA C 48 62.600 62.600 63.274 -0.674 17719
523 1 2 . 1 1 29 29 THR CB C 48 70.000 70.000 69.039 0.961 17719
524 1 2 . 1 1 29 29 THR H H 48 7.130 7.130 7.605 -0.475 17719
525 1 2 . 1 1 30 30 TYR N N 49 129.100 129.100 128.095 1.005 17719
526 1 2 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.857 0.103 17719
527 1 2 . 1 1 30 30 TYR C C 49 173.900 173.900 174.709 -0.809 17719
528 1 2 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.296 0.304 17719
529 1 2 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.580 -1.580 17719
530 1 2 . 1 1 30 30 TYR H H 49 9.020 9.020 8.496 0.524 17719
531 1 2 . 1 1 31 31 LEU N N 50 131.700 131.700 130.056 1.644 17719
532 1 2 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.860 -0.300 17719
533 1 2 . 1 1 31 31 LEU C C 50 172.200 172.200 174.547 -2.347 17719
534 1 2 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.470 1.130 17719
535 1 2 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.375 -0.475 17719
536 1 2 . 1 1 31 31 LEU H H 50 8.600 8.600 8.510 0.090 17719
537 1 2 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.689 -0.249 17719
538 1 2 . 1 1 32 32 PRO C C 51 176.800 176.800 176.399 0.401 17719
539 1 2 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.635 0.065 17719
540 1 2 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.159 1.741 17719
541 1 2 . 1 1 33 33 VAL N N 52 110.700 110.700 117.687 -6.987 17719
542 1 2 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.705 0.014 17719
543 1 2 . 1 1 33 33 VAL C C 52 172.600 172.600 173.781 -1.181 17719
544 1 2 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.398 0.202 17719
545 1 2 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.307 0.393 17719
546 1 2 . 1 1 33 33 VAL H H 52 8.230 8.230 8.648 -0.418 17719
547 1 2 . 1 1 34 34 CYS N N 53 122.200 122.200 123.590 -1.390 17719
548 1 2 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.123 -0.033 17719
549 1 2 . 1 1 34 34 CYS C C 53 175.600 175.600 174.816 0.784 17719
550 1 2 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.694 -2.194 17719
551 1 2 . 1 1 34 34 CYS CB C 53 39.300 39.300 27.924 11.376 17719
552 1 2 . 1 1 34 34 CYS H H 53 8.550 8.550 8.566 -0.016 17719
553 1 2 . 1 1 35 35 GLY N N 54 115.900 115.900 114.023 1.877 17719
554 1 2 . 1 1 35 35 GLY C C 54 174.500 174.500 175.278 -0.778 17719
555 1 2 . 1 1 35 35 GLY CA C 54 44.700 44.700 44.053 0.647 17719
556 1 2 . 1 1 35 35 GLY H H 54 9.060 9.060 8.946 0.114 17719
557 1 2 . 1 1 36 36 SER N N 55 113.400 113.400 117.573 -4.173 17719
558 1 2 . 1 1 36 36 SER HA H 55 3.760 3.760 3.942 -0.182 17719
559 1 2 . 1 1 36 36 SER C C 55 173.300 173.300 174.642 -1.342 17719
560 1 2 . 1 1 36 36 SER CA C 55 60.400 60.400 61.604 -1.204 17719
561 1 2 . 1 1 36 36 SER CB C 55 62.300 62.300 62.964 -0.664 17719
562 1 2 . 1 1 36 36 SER H H 55 9.270 9.270 8.625 0.645 17719
563 1 2 . 1 1 37 37 ASP N N 56 121.100 121.100 119.659 1.441 17719
564 1 2 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.592 -0.252 17719
565 1 2 . 1 1 37 37 ASP C C 56 175.600 175.600 175.674 -0.074 17719
566 1 2 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.480 -0.380 17719
567 1 2 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.458 -0.858 17719
568 1 2 . 1 1 37 37 ASP H H 56 9.150 9.150 8.153 0.997 17719
569 1 2 . 1 1 38 38 TYR N N 57 116.100 116.100 113.839 2.261 17719
570 1 2 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.132 -0.122 17719
571 1 2 . 1 1 38 38 TYR C C 57 174.700 174.700 174.253 0.447 17719
572 1 2 . 1 1 38 38 TYR CA C 57 61.000 61.000 58.970 2.030 17719
573 1 2 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.402 -1.102 17719
574 1 2 . 1 1 38 38 TYR H H 57 8.630 8.630 7.558 1.072 17719
575 1 2 . 1 1 39 39 ILE N N 58 120.700 120.700 120.837 -0.137 17719
576 1 2 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.197 -0.187 17719
577 1 2 . 1 1 39 39 ILE C C 58 174.900 174.900 175.590 -0.690 17719
578 1 2 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.293 0.007 17719
579 1 2 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.207 -0.607 17719
580 1 2 . 1 1 39 39 ILE H H 58 7.480 7.480 7.438 0.042 17719
581 1 2 . 1 1 40 40 THR N N 59 123.700 123.700 123.763 -0.063 17719
582 1 2 . 1 1 40 40 THR HA H 59 4.670 4.670 4.627 0.043 17719
583 1 2 . 1 1 40 40 THR C C 59 174.800 174.800 173.619 1.181 17719
584 1 2 . 1 1 40 40 THR CA C 59 62.700 62.700 62.764 -0.064 17719
585 1 2 . 1 1 40 40 THR CB C 59 68.900 68.900 69.438 -0.538 17719
586 1 2 . 1 1 40 40 THR H H 59 8.090 8.090 8.486 -0.396 17719
587 1 2 . 1 1 41 41 TYR N N 60 129.700 129.700 126.993 2.707 17719
588 1 2 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.621 -0.211 17719
589 1 2 . 1 1 41 41 TYR C C 60 177.200 177.200 176.627 0.573 17719
590 1 2 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.303 0.896 17719
591 1 2 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.216 1.584 17719
592 1 2 . 1 1 41 41 TYR H H 60 9.550 9.550 9.230 0.320 17719
593 1 2 . 1 1 42 42 GLY N N 61 107.800 107.800 109.098 -1.298 17719
594 1 2 . 1 1 42 42 GLY C C 61 172.800 172.800 172.417 0.383 17719
595 1 2 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.611 2.089 17719
596 1 2 . 1 1 42 42 GLY H H 61 9.310 9.310 9.079 0.231 17719
597 1 2 . 1 1 43 43 ASN N N 62 104.600 104.600 112.559 -7.959 17719
598 1 2 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.012 -0.062 17719
599 1 2 . 1 1 43 43 ASN C C 62 176.700 176.700 175.182 1.518 17719
600 1 2 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.465 1.035 17719
601 1 2 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.809 0.090 17719
602 1 2 . 1 1 43 43 ASN H H 62 7.380 7.380 7.535 -0.155 17719
603 1 2 . 1 1 44 44 GLU N N 63 118.300 118.300 119.269 -0.969 17719
604 1 2 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.056 -0.166 17719
605 1 2 . 1 1 44 44 GLU C C 63 176.100 176.100 177.167 -1.067 17719
606 1 2 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.156 0.544 17719
607 1 2 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.640 1.160 17719
608 1 2 . 1 1 44 44 GLU H H 63 9.310 9.310 8.782 0.528 17719
609 1 2 . 1 1 45 45 CYS N N 64 121.400 121.400 121.309 0.091 17719
610 1 2 . 1 1 45 45 CYS HA H 64 3.370 3.370 2.831 0.539 17719
611 1 2 . 1 1 45 45 CYS C C 64 177.700 177.700 176.371 1.329 17719
612 1 2 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.804 -1.704 17719
613 1 2 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.201 10.199 17719
614 1 2 . 1 1 45 45 CYS H H 64 8.270 8.270 8.282 -0.012 17719
615 1 2 . 1 1 46 46 HIS N N 65 121.000 121.000 118.345 2.655 17719
616 1 2 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.280 0.100 17719
617 1 2 . 1 1 46 46 HIS C C 65 177.800 177.800 177.714 0.086 17719
618 1 2 . 1 1 46 46 HIS CA C 65 59.700 59.700 58.611 1.089 17719
619 1 2 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.054 0.446 17719
620 1 2 . 1 1 46 46 HIS H H 65 8.120 8.120 8.089 0.031 17719
621 1 2 . 1 1 47 47 LEU N N 66 122.300 122.300 120.769 1.531 17719
622 1 2 . 1 1 47 47 LEU HA H 66 2.850 2.850 2.889 -0.039 17719
623 1 2 . 1 1 47 47 LEU C C 66 178.300 178.300 178.268 0.032 17719
624 1 2 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.429 1.071 17719
625 1 2 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.273 -0.673 17719
626 1 2 . 1 1 47 47 LEU H H 66 7.630 7.630 7.499 0.131 17719
627 1 2 . 1 1 48 48 CYS N N 67 117.500 117.500 118.536 -1.036 17719
628 1 2 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.928 0.512 17719
629 1 2 . 1 1 48 48 CYS C C 67 176.700 176.700 176.940 -0.240 17719
630 1 2 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.990 -5.790 17719
631 1 2 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.131 9.969 17719
632 1 2 . 1 1 48 48 CYS H H 67 8.960 8.960 8.554 0.406 17719
633 1 2 . 1 1 49 49 THR N N 68 118.000 118.000 117.149 0.851 17719
634 1 2 . 1 1 49 49 THR HA H 68 3.800 3.800 3.862 -0.062 17719
635 1 2 . 1 1 49 49 THR C C 68 175.400 175.400 176.740 -1.340 17719
636 1 2 . 1 1 49 49 THR CA C 68 67.600 67.600 67.189 0.411 17719
637 1 2 . 1 1 49 49 THR CB C 68 68.800 68.800 68.520 0.280 17719
638 1 2 . 1 1 49 49 THR H H 68 8.330 8.330 8.222 0.108 17719
639 1 2 . 1 1 50 50 GLU N N 69 121.300 121.300 120.458 0.842 17719
640 1 2 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.136 0.124 17719
641 1 2 . 1 1 50 50 GLU C C 69 180.000 180.000 179.154 0.846 17719
642 1 2 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.477 -0.278 17719
643 1 2 . 1 1 50 50 GLU CB C 69 28.600 28.600 28.712 -0.112 17719
644 1 2 . 1 1 50 50 GLU H H 69 7.070 7.070 7.614 -0.544 17719
645 1 2 . 1 1 51 51 SER N N 70 117.100 117.100 117.023 0.077 17719
646 1 2 . 1 1 51 51 SER HA H 70 4.030 4.030 4.330 -0.300 17719
647 1 2 . 1 1 51 51 SER C C 70 177.800 177.800 176.852 0.948 17719
648 1 2 . 1 1 51 51 SER CA C 70 62.400 62.400 62.316 0.084 17719
649 1 2 . 1 1 51 51 SER CB C 70 64.900 64.900 62.971 1.929 17719
650 1 2 . 1 1 51 51 SER H H 70 9.040 9.040 8.497 0.543 17719
651 1 2 . 1 1 52 52 LEU N N 71 119.100 119.100 121.123 -2.023 17719
652 1 2 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.091 0.109 17719
653 1 2 . 1 1 52 52 LEU C C 71 181.400 181.400 179.579 1.821 17719
654 1 2 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.699 0.201 17719
655 1 2 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.586 -0.286 17719
656 1 2 . 1 1 52 52 LEU H H 71 8.540 8.540 8.578 -0.038 17719
657 1 2 . 1 1 53 53 LYS N N 72 121.700 121.700 121.367 0.333 17719
658 1 2 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.038 0.002 17719
659 1 2 . 1 1 53 53 LYS C C 72 177.600 177.600 178.021 -0.421 17719
660 1 2 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.185 0.615 17719
661 1 2 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.637 0.463 17719
662 1 2 . 1 1 53 53 LYS H H 72 8.380 8.380 8.230 0.150 17719
663 1 2 . 1 1 54 54 SER N N 73 111.300 111.300 112.256 -0.956 17719
664 1 2 . 1 1 54 54 SER HA H 73 4.600 4.600 4.623 -0.023 17719
665 1 2 . 1 1 54 54 SER C C 73 175.300 175.300 173.257 2.043 17719
666 1 2 . 1 1 54 54 SER CA C 73 58.300 58.300 58.020 0.280 17719
667 1 2 . 1 1 54 54 SER CB C 73 64.700 64.700 63.471 1.229 17719
668 1 2 . 1 1 54 54 SER H H 73 8.150 8.150 8.082 0.068 17719
669 1 2 . 1 1 55 55 ASN N N 74 120.000 120.000 120.454 -0.454 17719
670 1 2 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.411 0.099 17719
671 1 2 . 1 1 55 55 ASN C C 74 175.600 175.600 175.822 -0.222 17719
672 1 2 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.160 0.340 17719
673 1 2 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.717 0.383 17719
674 1 2 . 1 1 55 55 ASN H H 74 8.070 8.070 7.643 0.427 17719
675 1 2 . 1 1 56 56 GLY N N 75 103.900 103.900 107.913 -4.013 17719
676 1 2 . 1 1 56 56 GLY C C 75 174.700 174.700 174.493 0.207 17719
677 1 2 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.625 -0.625 17719
678 1 2 . 1 1 56 56 GLY H H 75 8.970 8.970 8.772 0.198 17719
679 1 2 . 1 1 57 57 ARG N N 76 122.200 122.200 119.475 2.725 17719
680 1 2 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.140 -0.100 17719
681 1 2 . 1 1 57 57 ARG C C 76 177.200 177.200 175.954 1.246 17719
682 1 2 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.127 1.073 17719
683 1 2 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.709 -0.309 17719
684 1 2 . 1 1 57 57 ARG H H 76 7.600 7.600 7.445 0.155 17719
685 1 2 . 1 1 58 58 VAL N N 77 117.000 117.000 118.273 -1.273 17719
686 1 2 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.092 -0.382 17719
687 1 2 . 1 1 58 58 VAL C C 77 174.500 174.500 174.666 -0.166 17719
688 1 2 . 1 1 58 58 VAL CA C 77 63.200 63.200 61.396 1.804 17719
689 1 2 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.551 0.249 17719
690 1 2 . 1 1 58 58 VAL H H 77 7.340 7.340 8.218 -0.878 17719
691 1 2 . 1 1 59 59 GLN N N 78 125.000 125.000 126.390 -1.390 17719
692 1 2 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.706 -0.226 17719
693 1 2 . 1 1 59 59 GLN C C 78 174.900 174.900 174.652 0.248 17719
694 1 2 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.328 -0.528 17719
695 1 2 . 1 1 59 59 GLN CB C 78 32.600 32.600 33.076 -0.476 17719
696 1 2 . 1 1 59 59 GLN H H 78 8.510 8.510 7.886 0.624 17719
697 1 2 . 1 1 60 60 PHE N N 79 121.400 121.400 121.997 -0.597 17719
698 1 2 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.333 -0.383 17719
699 1 2 . 1 1 60 60 PHE C C 79 173.900 173.900 175.295 -1.395 17719
700 1 2 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.669 0.631 17719
701 1 2 . 1 1 60 60 PHE CB C 79 39.900 39.900 38.745 1.155 17719
702 1 2 . 1 1 60 60 PHE H H 79 9.050 9.050 8.723 0.327 17719
703 1 2 . 1 1 61 61 LEU N N 80 128.900 128.900 129.689 -0.789 17719
704 1 2 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.166 0.354 17719
705 1 2 . 1 1 61 61 LEU C C 80 175.700 175.700 175.590 0.110 17719
706 1 2 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.438 0.562 17719
707 1 2 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.214 1.187 17719
708 1 2 . 1 1 61 61 LEU H H 80 8.270 8.270 8.695 -0.425 17719
709 1 2 . 1 1 62 62 HIS N N 81 107.500 107.500 110.613 -3.113 17719
710 1 2 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.221 0.149 17719
711 1 2 . 1 1 62 62 HIS C C 81 172.000 172.000 172.498 -0.498 17719
712 1 2 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.562 1.538 17719
713 1 2 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.037 -1.337 17719
714 1 2 . 1 1 62 62 HIS H H 81 6.860 6.860 7.083 -0.223 17719
715 1 2 . 1 1 63 63 ASP N N 82 120.900 120.900 120.333 0.567 17719
716 1 2 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.527 0.373 17719
717 1 2 . 1 1 63 63 ASP C C 82 178.500 178.500 177.236 1.264 17719
718 1 2 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.989 -0.389 17719
719 1 2 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.668 0.732 17719
720 1 2 . 1 1 63 63 ASP H H 82 9.330 9.330 8.476 0.854 17719
721 1 2 . 1 1 64 64 GLY N N 83 114.500 114.500 110.991 3.509 17719
722 1 2 . 1 1 64 64 GLY C C 83 170.400 170.400 173.371 -2.971 17719
723 1 2 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.511 0.389 17719
724 1 2 . 1 1 64 64 GLY H H 83 8.330 8.330 8.432 -0.102 17719
725 1 2 . 1 1 65 65 SER N N 84 107.400 107.400 116.415 -9.015 17719
726 1 2 . 1 1 65 65 SER HA H 84 4.140 4.140 4.290 -0.150 17719
727 1 2 . 1 1 65 65 SER C C 84 176.400 176.400 175.350 1.050 17719
728 1 2 . 1 1 65 65 SER CA C 84 58.300 58.300 59.599 -1.299 17719
729 1 2 . 1 1 65 65 SER CB C 84 63.900 63.900 63.815 0.085 17719
730 1 2 . 1 1 65 65 SER H H 84 7.870 7.870 8.429 -0.559 17719
731 1 3 . 1 1 2 2 GLU N N 21 121.800 121.800 124.594 -2.794 17719
732 1 3 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.493 -0.103 17719
733 1 3 . 1 1 2 2 GLU C C 21 176.100 176.100 177.075 -0.975 17719
734 1 3 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.196 0.004 17719
735 1 3 . 1 1 2 2 GLU CB C 21 30.300 30.300 29.899 0.401 17719
736 1 3 . 1 1 2 2 GLU H H 21 8.860 8.860 8.417 0.443 17719
737 1 3 . 1 1 3 3 ALA N N 22 126.000 126.000 122.203 3.797 17719
738 1 3 . 1 1 3 3 ALA HA H 22 4.270 4.270 3.986 0.284 17719
739 1 3 . 1 1 3 3 ALA C C 22 177.700 177.700 176.645 1.055 17719
740 1 3 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.929 -0.329 17719
741 1 3 . 1 1 3 3 ALA CB C 22 19.100 19.100 17.828 1.272 17719
742 1 3 . 1 1 3 3 ALA H H 22 8.550 8.550 8.815 -0.265 17719
743 1 3 . 1 1 4 4 ALA N N 23 123.600 123.600 118.910 4.690 17719
744 1 3 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.029 0.281 17719
745 1 3 . 1 1 4 4 ALA C C 23 177.900 177.900 176.293 1.607 17719
746 1 3 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.297 0.303 17719
747 1 3 . 1 1 4 4 ALA CB C 23 19.100 19.100 18.820 0.280 17719
748 1 3 . 1 1 4 4 ALA H H 23 8.400 8.400 7.665 0.735 17719
749 1 3 . 1 1 5 5 SER N N 24 115.100 115.100 115.652 -0.552 17719
750 1 3 . 1 1 5 5 SER HA H 24 4.440 4.440 4.669 -0.229 17719
751 1 3 . 1 1 5 5 SER C C 24 174.500 174.500 174.466 0.034 17719
752 1 3 . 1 1 5 5 SER CA C 24 58.200 58.200 58.362 -0.162 17719
753 1 3 . 1 1 5 5 SER CB C 24 63.800 63.800 63.625 0.175 17719
754 1 3 . 1 1 5 5 SER H H 24 8.300 8.300 8.605 -0.305 17719
755 1 3 . 1 1 6 6 LEU N N 25 124.200 124.200 121.375 2.825 17719
756 1 3 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.573 -0.143 17719
757 1 3 . 1 1 6 6 LEU C C 25 177.300 177.300 177.189 0.111 17719
758 1 3 . 1 1 6 6 LEU CA C 25 55.100 55.100 56.162 -1.062 17719
759 1 3 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.679 0.721 17719
760 1 3 . 1 1 6 6 LEU H H 25 8.320 8.320 8.025 0.295 17719
761 1 3 . 1 1 7 7 SER N N 26 118.100 118.100 114.327 3.773 17719
762 1 3 . 1 1 7 7 SER HA H 26 4.780 4.780 4.869 -0.089 17719
763 1 3 . 1 1 7 7 SER C C 26 172.500 172.500 172.584 -0.084 17719
764 1 3 . 1 1 7 7 SER CA C 26 56.400 56.400 56.182 0.218 17719
765 1 3 . 1 1 7 7 SER CB C 26 63.300 63.300 64.409 -1.109 17719
766 1 3 . 1 1 7 7 SER H H 26 8.330 8.330 7.680 0.650 17719
767 1 3 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.592 -0.122 17719
768 1 3 . 1 1 8 8 PRO C C 27 176.600 176.600 176.222 0.378 17719
769 1 3 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.745 0.255 17719
770 1 3 . 1 1 8 8 PRO CB C 27 32.400 32.400 30.597 1.803 17719
771 1 3 . 1 1 9 9 LYS N N 28 122.600 122.600 124.314 -1.714 17719
772 1 3 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.218 0.001 17719
773 1 3 . 1 1 9 9 LYS C C 28 175.600 175.600 175.796 -0.196 17719
774 1 3 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.589 -0.089 17719
775 1 3 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.256 -0.156 17719
776 1 3 . 1 1 9 9 LYS H H 28 8.410 8.410 8.027 0.383 17719
777 1 3 . 1 1 10 10 LYS N N 29 123.700 123.700 122.469 1.231 17719
778 1 3 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.580 -0.260 17719
779 1 3 . 1 1 10 10 LYS C C 29 175.800 175.800 175.154 0.646 17719
780 1 3 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.371 0.929 17719
781 1 3 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.868 -0.968 17719
782 1 3 . 1 1 10 10 LYS H H 29 8.290 8.290 8.160 0.130 17719
783 1 3 . 1 1 11 11 VAL N N 30 122.800 122.800 120.510 2.290 17719
784 1 3 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.662 0.168 17719
785 1 3 . 1 1 11 11 VAL C C 30 174.400 174.400 174.985 -0.585 17719
786 1 3 . 1 1 11 11 VAL CA C 30 62.200 62.200 61.577 0.623 17719
787 1 3 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.942 0.458 17719
788 1 3 . 1 1 11 11 VAL H H 30 8.010 8.010 8.132 -0.122 17719
789 1 3 . 1 1 12 12 ASP N N 31 126.200 126.200 127.512 -1.312 17719
790 1 3 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.514 0.306 17719
791 1 3 . 1 1 12 12 ASP C C 31 176.800 176.800 175.458 1.342 17719
792 1 3 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.498 -2.298 17719
793 1 3 . 1 1 12 12 ASP CB C 31 41.000 41.000 39.453 1.547 17719
794 1 3 . 1 1 12 12 ASP H H 31 8.580 8.580 8.546 0.034 17719
795 1 3 . 1 1 13 13 CYS N N 32 121.600 121.600 123.933 -2.333 17719
796 1 3 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.648 0.402 17719
797 1 3 . 1 1 13 13 CYS C C 32 176.800 176.800 175.986 0.814 17719
798 1 3 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.914 -5.514 17719
799 1 3 . 1 1 13 13 CYS CB C 32 33.400 33.400 28.099 5.301 17719
800 1 3 . 1 1 13 13 CYS H H 32 9.070 9.070 8.284 0.786 17719
801 1 3 . 1 1 14 14 SER N N 33 118.000 118.000 118.171 -0.171 17719
802 1 3 . 1 1 14 14 SER HA H 33 4.030 4.030 4.149 -0.119 17719
803 1 3 . 1 1 14 14 SER C C 33 177.100 177.100 176.298 0.802 17719
804 1 3 . 1 1 14 14 SER CA C 33 62.400 62.400 61.366 1.034 17719
805 1 3 . 1 1 14 14 SER CB C 33 62.600 62.600 61.835 0.765 17719
806 1 3 . 1 1 14 14 SER H H 33 8.760 8.760 8.191 0.569 17719
807 1 3 . 1 1 15 15 ILE N N 34 117.700 117.700 117.126 0.574 17719
808 1 3 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.891 0.099 17719
809 1 3 . 1 1 15 15 ILE C C 34 176.600 176.600 176.122 0.478 17719
810 1 3 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.657 -0.157 17719
811 1 3 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.555 -0.155 17719
812 1 3 . 1 1 15 15 ILE H H 34 7.200 7.200 8.208 -1.008 17719
813 1 3 . 1 1 16 16 TYR N N 35 118.000 118.000 117.852 0.148 17719
814 1 3 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.746 -0.136 17719
815 1 3 . 1 1 16 16 TYR C C 35 176.300 176.300 177.609 -1.309 17719
816 1 3 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.614 -0.814 17719
817 1 3 . 1 1 16 16 TYR CB C 35 37.600 37.600 39.073 -1.473 17719
818 1 3 . 1 1 16 16 TYR H H 35 7.470 7.470 7.613 -0.143 17719
819 1 3 . 1 1 17 17 LYS N N 36 119.200 119.200 120.878 -1.678 17719
820 1 3 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.118 0.112 17719
821 1 3 . 1 1 17 17 LYS C C 36 176.300 176.300 176.931 -0.631 17719
822 1 3 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.532 0.168 17719
823 1 3 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.219 0.081 17719
824 1 3 . 1 1 17 17 LYS H H 36 7.590 7.590 8.053 -0.463 17719
825 1 3 . 1 1 18 18 LYS N N 37 115.100 115.100 115.808 -0.708 17719
826 1 3 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.136 0.014 17719
827 1 3 . 1 1 18 18 LYS C C 37 175.500 175.500 176.564 -1.064 17719
828 1 3 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.695 0.005 17719
829 1 3 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.129 -0.429 17719
830 1 3 . 1 1 18 18 LYS H H 37 7.410 7.410 7.888 -0.478 17719
831 1 3 . 1 1 19 19 TYR N N 38 120.200 120.200 120.411 -0.211 17719
832 1 3 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.710 0.100 17719
833 1 3 . 1 1 19 19 TYR C C 38 173.600 173.600 173.938 -0.338 17719
834 1 3 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.977 1.524 17719
835 1 3 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.714 0.486 17719
836 1 3 . 1 1 19 19 TYR H H 38 7.390 7.390 7.684 -0.294 17719
837 1 3 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.414 0.166 17719
838 1 3 . 1 1 20 20 PRO C C 39 179.000 179.000 177.937 1.063 17719
839 1 3 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.994 0.106 17719
840 1 3 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.357 -0.657 17719
841 1 3 . 1 1 21 21 VAL N N 40 123.200 123.200 120.054 3.146 17719
842 1 3 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.763 0.257 17719
843 1 3 . 1 1 21 21 VAL C C 40 176.400 176.400 175.999 0.401 17719
844 1 3 . 1 1 21 21 VAL CA C 40 64.700 64.700 64.916 -0.216 17719
845 1 3 . 1 1 21 21 VAL CB C 40 32.000 32.000 30.938 1.062 17719
846 1 3 . 1 1 21 21 VAL H H 40 8.400 8.400 8.410 -0.010 17719
847 1 3 . 1 1 22 22 VAL N N 41 110.600 110.600 112.193 -1.593 17719
848 1 3 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.262 -0.052 17719
849 1 3 . 1 1 22 22 VAL C C 41 175.600 175.600 176.043 -0.443 17719
850 1 3 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.788 -1.288 17719
851 1 3 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.453 0.347 17719
852 1 3 . 1 1 22 22 VAL H H 41 7.140 7.140 7.657 -0.517 17719
853 1 3 . 1 1 23 23 ALA N N 42 126.600 126.600 124.720 1.880 17719
854 1 3 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.603 -0.113 17719
855 1 3 . 1 1 23 23 ALA C C 42 175.700 175.700 175.777 -0.077 17719
856 1 3 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.140 0.260 17719
857 1 3 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.454 -0.354 17719
858 1 3 . 1 1 23 23 ALA H H 42 8.280 8.280 7.570 0.710 17719
859 1 3 . 1 1 24 24 ILE N N 43 123.300 123.300 124.366 -1.066 17719
860 1 3 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.337 -0.497 17719
861 1 3 . 1 1 24 24 ILE C C 43 174.900 174.900 173.680 1.220 17719
862 1 3 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.820 1.680 17719
863 1 3 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.074 -1.074 17719
864 1 3 . 1 1 24 24 ILE H H 43 7.970 7.970 8.015 -0.045 17719
865 1 3 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.346 0.134 17719
866 1 3 . 1 1 25 25 PRO C C 44 175.900 175.900 175.602 0.298 17719
867 1 3 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.728 -0.928 17719
868 1 3 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.763 -1.363 17719
869 1 3 . 1 1 26 26 CYS N N 45 120.500 120.500 121.905 -1.405 17719
870 1 3 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.676 0.714 17719
871 1 3 . 1 1 26 26 CYS CA C 45 49.900 49.900 55.941 -6.041 17719
872 1 3 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.029 7.371 17719
873 1 3 . 1 1 26 26 CYS H H 45 8.290 8.290 8.184 0.106 17719
874 1 3 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.618 0.032 17719
875 1 3 . 1 1 27 27 PRO C C 46 177.000 177.000 176.553 0.447 17719
876 1 3 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.562 -0.162 17719
877 1 3 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.453 0.447 17719
878 1 3 . 1 1 28 28 ILE N N 47 116.600 116.600 113.811 2.789 17719
879 1 3 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.293 0.067 17719
880 1 3 . 1 1 28 28 ILE C C 47 176.200 176.200 175.858 0.342 17719
881 1 3 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.805 -0.505 17719
882 1 3 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.762 0.238 17719
883 1 3 . 1 1 28 28 ILE H H 47 8.590 8.590 8.131 0.459 17719
884 1 3 . 1 1 29 29 THR N N 48 114.700 114.700 117.642 -2.942 17719
885 1 3 . 1 1 29 29 THR HA H 48 3.890 3.890 4.295 -0.405 17719
886 1 3 . 1 1 29 29 THR C C 48 173.200 173.200 173.384 -0.184 17719
887 1 3 . 1 1 29 29 THR CA C 48 62.600 62.600 62.522 0.078 17719
888 1 3 . 1 1 29 29 THR CB C 48 70.000 70.000 69.331 0.669 17719
889 1 3 . 1 1 29 29 THR H H 48 7.130 7.130 7.524 -0.394 17719
890 1 3 . 1 1 30 30 TYR N N 49 129.100 129.100 128.018 1.082 17719
891 1 3 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.792 0.168 17719
892 1 3 . 1 1 30 30 TYR C C 49 173.900 173.900 174.625 -0.725 17719
893 1 3 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.745 -0.145 17719
894 1 3 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.366 -1.366 17719
895 1 3 . 1 1 30 30 TYR H H 49 9.020 9.020 8.620 0.400 17719
896 1 3 . 1 1 31 31 LEU N N 50 131.700 131.700 130.123 1.577 17719
897 1 3 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.862 -0.302 17719
898 1 3 . 1 1 31 31 LEU C C 50 172.200 172.200 174.436 -2.236 17719
899 1 3 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.518 1.082 17719
900 1 3 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.380 -0.480 17719
901 1 3 . 1 1 31 31 LEU H H 50 8.600 8.600 8.503 0.097 17719
902 1 3 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.725 -0.285 17719
903 1 3 . 1 1 32 32 PRO C C 51 176.800 176.800 176.560 0.240 17719
904 1 3 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.481 0.219 17719
905 1 3 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.573 1.327 17719
906 1 3 . 1 1 33 33 VAL N N 52 110.700 110.700 119.044 -8.344 17719
907 1 3 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.567 0.153 17719
908 1 3 . 1 1 33 33 VAL C C 52 172.600 172.600 173.825 -1.225 17719
909 1 3 . 1 1 33 33 VAL CA C 52 59.600 59.600 60.095 -0.495 17719
910 1 3 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.336 0.364 17719
911 1 3 . 1 1 33 33 VAL H H 52 8.230 8.230 8.606 -0.376 17719
912 1 3 . 1 1 34 34 CYS N N 53 122.200 122.200 122.702 -0.502 17719
913 1 3 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.305 -0.215 17719
914 1 3 . 1 1 34 34 CYS C C 53 175.600 175.600 174.846 0.754 17719
915 1 3 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.010 -1.510 17719
916 1 3 . 1 1 34 34 CYS CB C 53 39.300 39.300 29.114 10.186 17719
917 1 3 . 1 1 34 34 CYS H H 53 8.550 8.550 8.655 -0.105 17719
918 1 3 . 1 1 35 35 GLY N N 54 115.900 115.900 112.995 2.905 17719
919 1 3 . 1 1 35 35 GLY C C 54 174.500 174.500 174.889 -0.389 17719
920 1 3 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.791 0.909 17719
921 1 3 . 1 1 35 35 GLY H H 54 9.060 9.060 8.790 0.270 17719
922 1 3 . 1 1 36 36 SER N N 55 113.400 113.400 114.830 -1.430 17719
923 1 3 . 1 1 36 36 SER HA H 55 3.760 3.760 3.921 -0.161 17719
924 1 3 . 1 1 36 36 SER C C 55 173.300 173.300 174.882 -1.582 17719
925 1 3 . 1 1 36 36 SER CA C 55 60.400 60.400 60.381 0.019 17719
926 1 3 . 1 1 36 36 SER CB C 55 62.300 62.300 63.239 -0.939 17719
927 1 3 . 1 1 36 36 SER H H 55 9.270 9.270 8.709 0.561 17719
928 1 3 . 1 1 37 37 ASP N N 56 121.100 121.100 120.070 1.030 17719
929 1 3 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.650 -0.310 17719
930 1 3 . 1 1 37 37 ASP C C 56 175.600 175.600 175.916 -0.316 17719
931 1 3 . 1 1 37 37 ASP CA C 56 53.100 53.100 54.074 -0.974 17719
932 1 3 . 1 1 37 37 ASP CB C 56 39.600 39.600 41.146 -1.546 17719
933 1 3 . 1 1 37 37 ASP H H 56 9.150 9.150 7.974 1.176 17719
934 1 3 . 1 1 38 38 TYR N N 57 116.100 116.100 112.952 3.148 17719
935 1 3 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.104 -0.094 17719
936 1 3 . 1 1 38 38 TYR C C 57 174.700 174.700 174.042 0.658 17719
937 1 3 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.141 1.859 17719
938 1 3 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.739 -1.439 17719
939 1 3 . 1 1 38 38 TYR H H 57 8.630 8.630 7.571 1.059 17719
940 1 3 . 1 1 39 39 ILE N N 58 120.700 120.700 120.505 0.195 17719
941 1 3 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.178 -0.168 17719
942 1 3 . 1 1 39 39 ILE C C 58 174.900 174.900 175.568 -0.668 17719
943 1 3 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.619 -0.319 17719
944 1 3 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.781 -1.181 17719
945 1 3 . 1 1 39 39 ILE H H 58 7.480 7.480 7.485 -0.005 17719
946 1 3 . 1 1 40 40 THR N N 59 123.700 123.700 123.100 0.600 17719
947 1 3 . 1 1 40 40 THR HA H 59 4.670 4.670 4.726 -0.056 17719
948 1 3 . 1 1 40 40 THR C C 59 174.800 174.800 173.712 1.088 17719
949 1 3 . 1 1 40 40 THR CA C 59 62.700 62.700 62.364 0.336 17719
950 1 3 . 1 1 40 40 THR CB C 59 68.900 68.900 69.387 -0.487 17719
951 1 3 . 1 1 40 40 THR H H 59 8.090 8.090 8.379 -0.289 17719
952 1 3 . 1 1 41 41 TYR N N 60 129.700 129.700 126.154 3.546 17719
953 1 3 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.620 -0.210 17719
954 1 3 . 1 1 41 41 TYR C C 60 177.200 177.200 176.870 0.330 17719
955 1 3 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.011 1.189 17719
956 1 3 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.507 1.293 17719
957 1 3 . 1 1 41 41 TYR H H 60 9.550 9.550 9.214 0.336 17719
958 1 3 . 1 1 42 42 GLY N N 61 107.800 107.800 109.256 -1.456 17719
959 1 3 . 1 1 42 42 GLY C C 61 172.800 172.800 172.469 0.331 17719
960 1 3 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.797 1.903 17719
961 1 3 . 1 1 42 42 GLY H H 61 9.310 9.310 8.960 0.350 17719
962 1 3 . 1 1 43 43 ASN N N 62 104.600 104.600 112.456 -7.856 17719
963 1 3 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.121 -0.171 17719
964 1 3 . 1 1 43 43 ASN C C 62 176.700 176.700 175.381 1.319 17719
965 1 3 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.592 0.908 17719
966 1 3 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.762 0.138 17719
967 1 3 . 1 1 43 43 ASN H H 62 7.380 7.380 7.527 -0.147 17719
968 1 3 . 1 1 44 44 GLU N N 63 118.300 118.300 118.399 -0.099 17719
969 1 3 . 1 1 44 44 GLU HA H 63 3.890 3.890 3.897 -0.007 17719
970 1 3 . 1 1 44 44 GLU C C 63 176.100 176.100 177.625 -1.525 17719
971 1 3 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.517 0.183 17719
972 1 3 . 1 1 44 44 GLU CB C 63 29.800 29.800 29.052 0.748 17719
973 1 3 . 1 1 44 44 GLU H H 63 9.310 9.310 8.774 0.536 17719
974 1 3 . 1 1 45 45 CYS N N 64 121.400 121.400 120.472 0.928 17719
975 1 3 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.059 0.311 17719
976 1 3 . 1 1 45 45 CYS C C 64 177.700 177.700 176.579 1.121 17719
977 1 3 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.841 -1.741 17719
978 1 3 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.302 10.098 17719
979 1 3 . 1 1 45 45 CYS H H 64 8.270 8.270 7.609 0.661 17719
980 1 3 . 1 1 46 46 HIS N N 65 121.000 121.000 118.625 2.375 17719
981 1 3 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.277 0.103 17719
982 1 3 . 1 1 46 46 HIS C C 65 177.800 177.800 177.510 0.290 17719
983 1 3 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.457 0.243 17719
984 1 3 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.468 0.032 17719
985 1 3 . 1 1 46 46 HIS H H 65 8.120 8.120 7.634 0.486 17719
986 1 3 . 1 1 47 47 LEU N N 66 122.300 122.300 121.185 1.115 17719
987 1 3 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.049 -0.199 17719
988 1 3 . 1 1 47 47 LEU C C 66 178.300 178.300 178.352 -0.052 17719
989 1 3 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.604 0.896 17719
990 1 3 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.223 -0.623 17719
991 1 3 . 1 1 47 47 LEU H H 66 7.630 7.630 7.688 -0.058 17719
992 1 3 . 1 1 48 48 CYS N N 67 117.500 117.500 118.254 -0.754 17719
993 1 3 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.946 0.494 17719
994 1 3 . 1 1 48 48 CYS C C 67 176.700 176.700 176.934 -0.234 17719
995 1 3 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.930 -5.730 17719
996 1 3 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.161 9.939 17719
997 1 3 . 1 1 48 48 CYS H H 67 8.960 8.960 8.383 0.577 17719
998 1 3 . 1 1 49 49 THR N N 68 118.000 118.000 117.998 0.002 17719
999 1 3 . 1 1 49 49 THR HA H 68 3.800 3.800 3.871 -0.071 17719
1000 1 3 . 1 1 49 49 THR C C 68 175.400 175.400 176.460 -1.060 17719
1001 1 3 . 1 1 49 49 THR CA C 68 67.600 67.600 67.247 0.353 17719
1002 1 3 . 1 1 49 49 THR CB C 68 68.800 68.800 68.483 0.317 17719
1003 1 3 . 1 1 49 49 THR H H 68 8.330 8.330 8.227 0.103 17719
1004 1 3 . 1 1 50 50 GLU N N 69 121.300 121.300 121.358 -0.058 17719
1005 1 3 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.060 0.200 17719
1006 1 3 . 1 1 50 50 GLU C C 69 180.000 180.000 178.519 1.481 17719
1007 1 3 . 1 1 50 50 GLU CA C 69 58.200 58.200 59.030 -0.830 17719
1008 1 3 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.274 -0.674 17719
1009 1 3 . 1 1 50 50 GLU H H 69 7.070 7.070 8.246 -1.176 17719
1010 1 3 . 1 1 51 51 SER N N 70 117.100 117.100 115.975 1.125 17719
1011 1 3 . 1 1 51 51 SER HA H 70 4.030 4.030 4.196 -0.166 17719
1012 1 3 . 1 1 51 51 SER C C 70 177.800 177.800 176.765 1.035 17719
1013 1 3 . 1 1 51 51 SER CA C 70 62.400 62.400 62.144 0.256 17719
1014 1 3 . 1 1 51 51 SER CB C 70 64.900 64.900 62.963 1.937 17719
1015 1 3 . 1 1 51 51 SER H H 70 9.040 9.040 7.993 1.047 17719
1016 1 3 . 1 1 52 52 LEU N N 71 119.100 119.100 121.695 -2.595 17719
1017 1 3 . 1 1 52 52 LEU HA H 71 4.200 4.200 3.917 0.283 17719
1018 1 3 . 1 1 52 52 LEU C C 71 181.400 181.400 179.149 2.251 17719
1019 1 3 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.965 -0.065 17719
1020 1 3 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.600 -0.300 17719
1021 1 3 . 1 1 52 52 LEU H H 71 8.540 8.540 8.509 0.031 17719
1022 1 3 . 1 1 53 53 LYS N N 72 121.700 121.700 120.410 1.290 17719
1023 1 3 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.051 -0.011 17719
1024 1 3 . 1 1 53 53 LYS C C 72 177.600 177.600 177.442 0.158 17719
1025 1 3 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.076 0.724 17719
1026 1 3 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.480 0.620 17719
1027 1 3 . 1 1 53 53 LYS H H 72 8.380 8.380 8.227 0.153 17719
1028 1 3 . 1 1 54 54 SER N N 73 111.300 111.300 112.756 -1.456 17719
1029 1 3 . 1 1 54 54 SER HA H 73 4.600 4.600 4.641 -0.041 17719
1030 1 3 . 1 1 54 54 SER C C 73 175.300 175.300 173.413 1.887 17719
1031 1 3 . 1 1 54 54 SER CA C 73 58.300 58.300 57.849 0.451 17719
1032 1 3 . 1 1 54 54 SER CB C 73 64.700 64.700 63.597 1.103 17719
1033 1 3 . 1 1 54 54 SER H H 73 8.150 8.150 7.587 0.563 17719
1034 1 3 . 1 1 55 55 ASN N N 74 120.000 120.000 117.468 2.532 17719
1035 1 3 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.378 0.132 17719
1036 1 3 . 1 1 55 55 ASN C C 74 175.600 175.600 175.421 0.179 17719
1037 1 3 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.530 -0.030 17719
1038 1 3 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.969 0.131 17719
1039 1 3 . 1 1 55 55 ASN H H 74 8.070 8.070 8.222 -0.152 17719
1040 1 3 . 1 1 56 56 GLY N N 75 103.900 103.900 105.805 -1.905 17719
1041 1 3 . 1 1 56 56 GLY C C 75 174.700 174.700 173.698 1.002 17719
1042 1 3 . 1 1 56 56 GLY CA C 75 45.000 45.000 44.795 0.205 17719
1043 1 3 . 1 1 56 56 GLY H H 75 8.970 8.970 8.627 0.343 17719
1044 1 3 . 1 1 57 57 ARG N N 76 122.200 122.200 119.080 3.120 17719
1045 1 3 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.160 -0.120 17719
1046 1 3 . 1 1 57 57 ARG C C 76 177.200 177.200 175.573 1.627 17719
1047 1 3 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.692 0.508 17719
1048 1 3 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.783 -0.383 17719
1049 1 3 . 1 1 57 57 ARG H H 76 7.600 7.600 7.578 0.022 17719
1050 1 3 . 1 1 58 58 VAL N N 77 117.000 117.000 117.710 -0.710 17719
1051 1 3 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.421 -0.711 17719
1052 1 3 . 1 1 58 58 VAL C C 77 174.500 174.500 174.295 0.205 17719
1053 1 3 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.116 3.084 17719
1054 1 3 . 1 1 58 58 VAL CB C 77 32.800 32.800 33.419 -0.619 17719
1055 1 3 . 1 1 58 58 VAL H H 77 7.340 7.340 7.852 -0.512 17719
1056 1 3 . 1 1 59 59 GLN N N 78 125.000 125.000 126.933 -1.933 17719
1057 1 3 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.744 -0.264 17719
1058 1 3 . 1 1 59 59 GLN C C 78 174.900 174.900 174.717 0.183 17719
1059 1 3 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.028 -0.228 17719
1060 1 3 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.854 -0.254 17719
1061 1 3 . 1 1 59 59 GLN H H 78 8.510 8.510 8.922 -0.412 17719
1062 1 3 . 1 1 60 60 PHE N N 79 121.400 121.400 122.302 -0.902 17719
1063 1 3 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.295 -0.345 17719
1064 1 3 . 1 1 60 60 PHE C C 79 173.900 173.900 174.591 -0.691 17719
1065 1 3 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.793 0.507 17719
1066 1 3 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.480 0.421 17719
1067 1 3 . 1 1 60 60 PHE H H 79 9.050 9.050 8.754 0.296 17719
1068 1 3 . 1 1 61 61 LEU N N 80 128.900 128.900 127.583 1.317 17719
1069 1 3 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.189 0.331 17719
1070 1 3 . 1 1 61 61 LEU C C 80 175.700 175.700 175.175 0.525 17719
1071 1 3 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.275 0.725 17719
1072 1 3 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.316 1.084 17719
1073 1 3 . 1 1 61 61 LEU H H 80 8.270 8.270 8.404 -0.134 17719
1074 1 3 . 1 1 62 62 HIS N N 81 107.500 107.500 112.287 -4.787 17719
1075 1 3 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.372 -0.002 17719
1076 1 3 . 1 1 62 62 HIS C C 81 172.000 172.000 172.650 -0.650 17719
1077 1 3 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.621 1.479 17719
1078 1 3 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.420 -1.720 17719
1079 1 3 . 1 1 62 62 HIS H H 81 6.860 6.860 6.934 -0.074 17719
1080 1 3 . 1 1 63 63 ASP N N 82 120.900 120.900 120.393 0.507 17719
1081 1 3 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.419 0.481 17719
1082 1 3 . 1 1 63 63 ASP C C 82 178.500 178.500 176.035 2.465 17719
1083 1 3 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.696 0.904 17719
1084 1 3 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.536 0.864 17719
1085 1 3 . 1 1 63 63 ASP H H 82 9.330 9.330 8.504 0.826 17719
1086 1 3 . 1 1 64 64 GLY N N 83 114.500 114.500 107.744 6.756 17719
1087 1 3 . 1 1 64 64 GLY C C 83 170.400 170.400 173.385 -2.985 17719
1088 1 3 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.570 0.330 17719
1089 1 3 . 1 1 64 64 GLY H H 83 8.330 8.330 8.464 -0.134 17719
1090 1 3 . 1 1 65 65 SER N N 84 107.400 107.400 116.592 -9.192 17719
1091 1 3 . 1 1 65 65 SER HA H 84 4.140 4.140 4.308 -0.168 17719
1092 1 3 . 1 1 65 65 SER C C 84 176.400 176.400 175.353 1.047 17719
1093 1 3 . 1 1 65 65 SER CA C 84 58.300 58.300 59.257 -0.957 17719
1094 1 3 . 1 1 65 65 SER CB C 84 63.900 63.900 63.840 0.060 17719
1095 1 3 . 1 1 65 65 SER H H 84 7.870 7.870 8.391 -0.521 17719
1096 1 4 . 1 1 2 2 GLU N N 21 121.800 121.800 123.767 -1.967 17719
1097 1 4 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.591 -0.201 17719
1098 1 4 . 1 1 2 2 GLU C C 21 176.100 176.100 174.762 1.338 17719
1099 1 4 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.047 0.153 17719
1100 1 4 . 1 1 2 2 GLU CB C 21 30.300 30.300 29.712 0.588 17719
1101 1 4 . 1 1 2 2 GLU H H 21 8.860 8.860 8.699 0.161 17719
1102 1 4 . 1 1 3 3 ALA N N 22 126.000 126.000 125.547 0.453 17719
1103 1 4 . 1 1 3 3 ALA HA H 22 4.270 4.270 5.129 -0.859 17719
1104 1 4 . 1 1 3 3 ALA C C 22 177.700 177.700 176.440 1.260 17719
1105 1 4 . 1 1 3 3 ALA CA C 22 52.600 52.600 51.701 0.899 17719
1106 1 4 . 1 1 3 3 ALA CB C 22 19.100 19.100 20.949 -1.849 17719
1107 1 4 . 1 1 3 3 ALA H H 22 8.550 8.550 7.930 0.620 17719
1108 1 4 . 1 1 4 4 ALA N N 23 123.600 123.600 121.506 2.094 17719
1109 1 4 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.076 0.234 17719
1110 1 4 . 1 1 4 4 ALA C C 23 177.900 177.900 178.118 -0.218 17719
1111 1 4 . 1 1 4 4 ALA CA C 23 52.600 52.600 53.660 -1.060 17719
1112 1 4 . 1 1 4 4 ALA CB C 23 19.100 19.100 17.400 1.700 17719
1113 1 4 . 1 1 4 4 ALA H H 23 8.400 8.400 8.738 -0.338 17719
1114 1 4 . 1 1 5 5 SER N N 24 115.100 115.100 116.938 -1.838 17719
1115 1 4 . 1 1 5 5 SER HA H 24 4.440 4.440 4.442 -0.002 17719
1116 1 4 . 1 1 5 5 SER C C 24 174.500 174.500 175.155 -0.655 17719
1117 1 4 . 1 1 5 5 SER CA C 24 58.200 58.200 57.779 0.421 17719
1118 1 4 . 1 1 5 5 SER CB C 24 63.800 63.800 64.395 -0.595 17719
1119 1 4 . 1 1 5 5 SER H H 24 8.300 8.300 8.271 0.029 17719
1120 1 4 . 1 1 6 6 LEU N N 25 124.200 124.200 122.358 1.842 17719
1121 1 4 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.311 0.119 17719
1122 1 4 . 1 1 6 6 LEU C C 25 177.300 177.300 175.246 2.054 17719
1123 1 4 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.493 -0.393 17719
1124 1 4 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.197 1.203 17719
1125 1 4 . 1 1 6 6 LEU H H 25 8.320 8.320 8.452 -0.132 17719
1126 1 4 . 1 1 7 7 SER N N 26 118.100 118.100 118.884 -0.784 17719
1127 1 4 . 1 1 7 7 SER HA H 26 4.780 4.780 4.804 -0.024 17719
1128 1 4 . 1 1 7 7 SER C C 26 172.500 172.500 172.327 0.173 17719
1129 1 4 . 1 1 7 7 SER CA C 26 56.400 56.400 56.730 -0.330 17719
1130 1 4 . 1 1 7 7 SER CB C 26 63.300 63.300 64.886 -1.586 17719
1131 1 4 . 1 1 7 7 SER H H 26 8.330 8.330 8.684 -0.354 17719
1132 1 4 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.597 -0.127 17719
1133 1 4 . 1 1 8 8 PRO C C 27 176.600 176.600 175.686 0.914 17719
1134 1 4 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.334 0.666 17719
1135 1 4 . 1 1 8 8 PRO CB C 27 32.400 32.400 30.554 1.846 17719
1136 1 4 . 1 1 9 9 LYS N N 28 122.600 122.600 124.098 -1.498 17719
1137 1 4 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.048 0.172 17719
1138 1 4 . 1 1 9 9 LYS C C 28 175.600 175.600 175.849 -0.249 17719
1139 1 4 . 1 1 9 9 LYS CA C 28 56.500 56.500 57.094 -0.595 17719
1140 1 4 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.178 -0.078 17719
1141 1 4 . 1 1 9 9 LYS H H 28 8.410 8.410 8.013 0.397 17719
1142 1 4 . 1 1 10 10 LYS N N 29 123.700 123.700 121.839 1.861 17719
1143 1 4 . 1 1 10 10 LYS HA H 29 4.320 4.320 3.746 0.574 17719
1144 1 4 . 1 1 10 10 LYS C C 29 175.800 175.800 173.797 2.003 17719
1145 1 4 . 1 1 10 10 LYS CA C 29 55.300 55.300 53.993 1.307 17719
1146 1 4 . 1 1 10 10 LYS CB C 29 33.900 33.900 33.829 0.071 17719
1147 1 4 . 1 1 10 10 LYS H H 29 8.290 8.290 7.839 0.451 17719
1148 1 4 . 1 1 11 11 VAL N N 30 122.800 122.800 120.013 2.787 17719
1149 1 4 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.859 -0.029 17719
1150 1 4 . 1 1 11 11 VAL C C 30 174.400 174.400 175.453 -1.053 17719
1151 1 4 . 1 1 11 11 VAL CA C 30 62.200 62.200 62.888 -0.688 17719
1152 1 4 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.811 0.589 17719
1153 1 4 . 1 1 11 11 VAL H H 30 8.010 8.010 8.068 -0.058 17719
1154 1 4 . 1 1 12 12 ASP N N 31 126.200 126.200 127.982 -1.782 17719
1155 1 4 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.583 0.237 17719
1156 1 4 . 1 1 12 12 ASP C C 31 176.800 176.800 175.723 1.077 17719
1157 1 4 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.550 -2.350 17719
1158 1 4 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.514 0.486 17719
1159 1 4 . 1 1 12 12 ASP H H 31 8.580 8.580 8.522 0.058 17719
1160 1 4 . 1 1 13 13 CYS N N 32 121.600 121.600 125.042 -3.442 17719
1161 1 4 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.794 0.256 17719
1162 1 4 . 1 1 13 13 CYS C C 32 176.800 176.800 176.309 0.491 17719
1163 1 4 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.457 -5.057 17719
1164 1 4 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.263 6.137 17719
1165 1 4 . 1 1 13 13 CYS H H 32 9.070 9.070 8.230 0.840 17719
1166 1 4 . 1 1 14 14 SER N N 33 118.000 118.000 118.240 -0.240 17719
1167 1 4 . 1 1 14 14 SER HA H 33 4.030 4.030 4.205 -0.175 17719
1168 1 4 . 1 1 14 14 SER C C 33 177.100 177.100 176.568 0.532 17719
1169 1 4 . 1 1 14 14 SER CA C 33 62.400 62.400 62.207 0.193 17719
1170 1 4 . 1 1 14 14 SER CB C 33 62.600 62.600 62.841 -0.241 17719
1171 1 4 . 1 1 14 14 SER H H 33 8.760 8.760 8.389 0.371 17719
1172 1 4 . 1 1 15 15 ILE N N 34 117.700 117.700 116.989 0.711 17719
1173 1 4 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.785 0.205 17719
1174 1 4 . 1 1 15 15 ILE C C 34 176.600 176.600 176.297 0.303 17719
1175 1 4 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.201 -0.701 17719
1176 1 4 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.079 0.321 17719
1177 1 4 . 1 1 15 15 ILE H H 34 7.200 7.200 8.626 -1.426 17719
1178 1 4 . 1 1 16 16 TYR N N 35 118.000 118.000 118.015 -0.015 17719
1179 1 4 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.828 -0.218 17719
1180 1 4 . 1 1 16 16 TYR C C 35 176.300 176.300 177.563 -1.263 17719
1181 1 4 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.225 -0.425 17719
1182 1 4 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.301 -0.701 17719
1183 1 4 . 1 1 16 16 TYR H H 35 7.470 7.470 7.804 -0.334 17719
1184 1 4 . 1 1 17 17 LYS N N 36 119.200 119.200 118.909 0.291 17719
1185 1 4 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.100 0.130 17719
1186 1 4 . 1 1 17 17 LYS C C 36 176.300 176.300 177.105 -0.805 17719
1187 1 4 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.219 0.481 17719
1188 1 4 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.008 0.292 17719
1189 1 4 . 1 1 17 17 LYS H H 36 7.590 7.590 7.511 0.079 17719
1190 1 4 . 1 1 18 18 LYS N N 37 115.100 115.100 114.657 0.443 17719
1191 1 4 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.101 0.049 17719
1192 1 4 . 1 1 18 18 LYS C C 37 175.500 175.500 176.374 -0.874 17719
1193 1 4 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.771 -0.071 17719
1194 1 4 . 1 1 18 18 LYS CB C 37 31.700 31.700 31.655 0.045 17719
1195 1 4 . 1 1 18 18 LYS H H 37 7.410 7.410 7.727 -0.317 17719
1196 1 4 . 1 1 19 19 TYR N N 38 120.200 120.200 120.943 -0.743 17719
1197 1 4 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.793 0.017 17719
1198 1 4 . 1 1 19 19 TYR C C 38 173.600 173.600 173.640 -0.040 17719
1199 1 4 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.870 1.630 17719
1200 1 4 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.695 -0.495 17719
1201 1 4 . 1 1 19 19 TYR H H 38 7.390 7.390 7.688 -0.298 17719
1202 1 4 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.468 0.112 17719
1203 1 4 . 1 1 20 20 PRO C C 39 179.000 179.000 177.993 1.007 17719
1204 1 4 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.907 0.193 17719
1205 1 4 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.431 -0.731 17719
1206 1 4 . 1 1 21 21 VAL N N 40 123.200 123.200 121.168 2.032 17719
1207 1 4 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.720 0.300 17719
1208 1 4 . 1 1 21 21 VAL C C 40 176.400 176.400 176.516 -0.116 17719
1209 1 4 . 1 1 21 21 VAL CA C 40 64.700 64.700 64.791 -0.091 17719
1210 1 4 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.174 0.826 17719
1211 1 4 . 1 1 21 21 VAL H H 40 8.400 8.400 8.310 0.090 17719
1212 1 4 . 1 1 22 22 VAL N N 41 110.600 110.600 110.235 0.365 17719
1213 1 4 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.182 0.028 17719
1214 1 4 . 1 1 22 22 VAL C C 41 175.600 175.600 175.654 -0.054 17719
1215 1 4 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.671 -1.171 17719
1216 1 4 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.850 -0.050 17719
1217 1 4 . 1 1 22 22 VAL H H 41 7.140 7.140 7.507 -0.367 17719
1218 1 4 . 1 1 23 23 ALA N N 42 126.600 126.600 124.212 2.388 17719
1219 1 4 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.612 -0.122 17719
1220 1 4 . 1 1 23 23 ALA C C 42 175.700 175.700 175.799 -0.099 17719
1221 1 4 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.064 0.336 17719
1222 1 4 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.567 -0.467 17719
1223 1 4 . 1 1 23 23 ALA H H 42 8.280 8.280 7.663 0.617 17719
1224 1 4 . 1 1 24 24 ILE N N 43 123.300 123.300 124.319 -1.019 17719
1225 1 4 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.286 -0.446 17719
1226 1 4 . 1 1 24 24 ILE C C 43 174.900 174.900 173.493 1.407 17719
1227 1 4 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.746 1.754 17719
1228 1 4 . 1 1 24 24 ILE CB C 43 39.000 39.000 39.908 -0.908 17719
1229 1 4 . 1 1 24 24 ILE H H 43 7.970 7.970 7.989 -0.020 17719
1230 1 4 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.330 0.150 17719
1231 1 4 . 1 1 25 25 PRO C C 44 175.900 175.900 175.462 0.438 17719
1232 1 4 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.515 -0.715 17719
1233 1 4 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.745 -1.345 17719
1234 1 4 . 1 1 26 26 CYS N N 45 120.500 120.500 121.223 -0.723 17719
1235 1 4 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.561 0.829 17719
1236 1 4 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.256 -6.356 17719
1237 1 4 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.410 6.990 17719
1238 1 4 . 1 1 26 26 CYS H H 45 8.290 8.290 8.247 0.043 17719
1239 1 4 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.576 0.074 17719
1240 1 4 . 1 1 27 27 PRO C C 46 177.000 177.000 176.254 0.746 17719
1241 1 4 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.675 -0.274 17719
1242 1 4 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.507 0.394 17719
1243 1 4 . 1 1 28 28 ILE N N 47 116.600 116.600 113.329 3.271 17719
1244 1 4 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.218 0.142 17719
1245 1 4 . 1 1 28 28 ILE C C 47 176.200 176.200 175.825 0.375 17719
1246 1 4 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.494 -0.194 17719
1247 1 4 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.738 0.262 17719
1248 1 4 . 1 1 28 28 ILE H H 47 8.590 8.590 8.097 0.493 17719
1249 1 4 . 1 1 29 29 THR N N 48 114.700 114.700 118.724 -4.024 17719
1250 1 4 . 1 1 29 29 THR HA H 48 3.890 3.890 4.225 -0.335 17719
1251 1 4 . 1 1 29 29 THR C C 48 173.200 173.200 173.401 -0.201 17719
1252 1 4 . 1 1 29 29 THR CA C 48 62.600 62.600 63.203 -0.604 17719
1253 1 4 . 1 1 29 29 THR CB C 48 70.000 70.000 68.612 1.387 17719
1254 1 4 . 1 1 29 29 THR H H 48 7.130 7.130 7.707 -0.577 17719
1255 1 4 . 1 1 30 30 TYR N N 49 129.100 129.100 129.164 -0.064 17719
1256 1 4 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.687 0.273 17719
1257 1 4 . 1 1 30 30 TYR C C 49 173.900 173.900 174.689 -0.789 17719
1258 1 4 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.899 -0.299 17719
1259 1 4 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.653 -1.653 17719
1260 1 4 . 1 1 30 30 TYR H H 49 9.020 9.020 8.613 0.407 17719
1261 1 4 . 1 1 31 31 LEU N N 50 131.700 131.700 130.120 1.580 17719
1262 1 4 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.855 -0.295 17719
1263 1 4 . 1 1 31 31 LEU C C 50 172.200 172.200 174.508 -2.308 17719
1264 1 4 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.513 1.087 17719
1265 1 4 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.581 -1.681 17719
1266 1 4 . 1 1 31 31 LEU H H 50 8.600 8.600 8.637 -0.037 17719
1267 1 4 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.789 -0.349 17719
1268 1 4 . 1 1 32 32 PRO C C 51 176.800 176.800 176.534 0.266 17719
1269 1 4 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.676 0.024 17719
1270 1 4 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.130 1.770 17719
1271 1 4 . 1 1 33 33 VAL N N 52 110.700 110.700 117.306 -6.606 17719
1272 1 4 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.663 0.057 17719
1273 1 4 . 1 1 33 33 VAL C C 52 172.600 172.600 173.693 -1.093 17719
1274 1 4 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.157 0.443 17719
1275 1 4 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.486 0.214 17719
1276 1 4 . 1 1 33 33 VAL H H 52 8.230 8.230 8.255 -0.025 17719
1277 1 4 . 1 1 34 34 CYS N N 53 122.200 122.200 121.991 0.209 17719
1278 1 4 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.262 -0.172 17719
1279 1 4 . 1 1 34 34 CYS C C 53 175.600 175.600 175.061 0.539 17719
1280 1 4 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.199 -1.699 17719
1281 1 4 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.373 10.927 17719
1282 1 4 . 1 1 34 34 CYS H H 53 8.550 8.550 8.510 0.040 17719
1283 1 4 . 1 1 35 35 GLY N N 54 115.900 115.900 113.885 2.015 17719
1284 1 4 . 1 1 35 35 GLY C C 54 174.500 174.500 175.132 -0.632 17719
1285 1 4 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.895 0.805 17719
1286 1 4 . 1 1 35 35 GLY H H 54 9.060 9.060 9.213 -0.153 17719
1287 1 4 . 1 1 36 36 SER N N 55 113.400 113.400 117.317 -3.917 17719
1288 1 4 . 1 1 36 36 SER HA H 55 3.760 3.760 4.000 -0.240 17719
1289 1 4 . 1 1 36 36 SER C C 55 173.300 173.300 174.843 -1.543 17719
1290 1 4 . 1 1 36 36 SER CA C 55 60.400 60.400 61.492 -1.092 17719
1291 1 4 . 1 1 36 36 SER CB C 55 62.300 62.300 63.079 -0.779 17719
1292 1 4 . 1 1 36 36 SER H H 55 9.270 9.270 8.645 0.625 17719
1293 1 4 . 1 1 37 37 ASP N N 56 121.100 121.100 118.419 2.681 17719
1294 1 4 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.700 -0.360 17719
1295 1 4 . 1 1 37 37 ASP C C 56 175.600 175.600 175.531 0.069 17719
1296 1 4 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.803 -0.703 17719
1297 1 4 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.856 -1.256 17719
1298 1 4 . 1 1 37 37 ASP H H 56 9.150 9.150 7.943 1.207 17719
1299 1 4 . 1 1 38 38 TYR N N 57 116.100 116.100 112.720 3.380 17719
1300 1 4 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.042 -0.032 17719
1301 1 4 . 1 1 38 38 TYR C C 57 174.700 174.700 174.369 0.331 17719
1302 1 4 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.472 1.528 17719
1303 1 4 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.468 -1.168 17719
1304 1 4 . 1 1 38 38 TYR H H 57 8.630 8.630 7.749 0.881 17719
1305 1 4 . 1 1 39 39 ILE N N 58 120.700 120.700 121.693 -0.993 17719
1306 1 4 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.241 -0.231 17719
1307 1 4 . 1 1 39 39 ILE C C 58 174.900 174.900 175.517 -0.617 17719
1308 1 4 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.095 0.205 17719
1309 1 4 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.434 -0.834 17719
1310 1 4 . 1 1 39 39 ILE H H 58 7.480 7.480 7.382 0.098 17719
1311 1 4 . 1 1 40 40 THR N N 59 123.700 123.700 124.124 -0.424 17719
1312 1 4 . 1 1 40 40 THR HA H 59 4.670 4.670 4.758 -0.088 17719
1313 1 4 . 1 1 40 40 THR C C 59 174.800 174.800 173.847 0.953 17719
1314 1 4 . 1 1 40 40 THR CA C 59 62.700 62.700 62.465 0.235 17719
1315 1 4 . 1 1 40 40 THR CB C 59 68.900 68.900 69.094 -0.194 17719
1316 1 4 . 1 1 40 40 THR H H 59 8.090 8.090 8.475 -0.385 17719
1317 1 4 . 1 1 41 41 TYR N N 60 129.700 129.700 125.443 4.257 17719
1318 1 4 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.613 -0.203 17719
1319 1 4 . 1 1 41 41 TYR C C 60 177.200 177.200 176.906 0.294 17719
1320 1 4 . 1 1 41 41 TYR CA C 60 58.200 58.200 56.999 1.201 17719
1321 1 4 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.857 0.943 17719
1322 1 4 . 1 1 41 41 TYR H H 60 9.550 9.550 9.092 0.458 17719
1323 1 4 . 1 1 42 42 GLY N N 61 107.800 107.800 108.292 -0.492 17719
1324 1 4 . 1 1 42 42 GLY C C 61 172.800 172.800 172.430 0.370 17719
1325 1 4 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.383 2.317 17719
1326 1 4 . 1 1 42 42 GLY H H 61 9.310 9.310 8.939 0.371 17719
1327 1 4 . 1 1 43 43 ASN N N 62 104.600 104.600 113.079 -8.479 17719
1328 1 4 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.062 -0.112 17719
1329 1 4 . 1 1 43 43 ASN C C 62 176.700 176.700 175.122 1.578 17719
1330 1 4 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.511 0.989 17719
1331 1 4 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.943 -0.043 17719
1332 1 4 . 1 1 43 43 ASN H H 62 7.380 7.380 7.551 -0.171 17719
1333 1 4 . 1 1 44 44 GLU N N 63 118.300 118.300 119.031 -0.731 17719
1334 1 4 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.095 -0.205 17719
1335 1 4 . 1 1 44 44 GLU C C 63 176.100 176.100 177.731 -1.631 17719
1336 1 4 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.554 0.146 17719
1337 1 4 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.795 1.005 17719
1338 1 4 . 1 1 44 44 GLU H H 63 9.310 9.310 8.815 0.495 17719
1339 1 4 . 1 1 45 45 CYS N N 64 121.400 121.400 121.650 -0.250 17719
1340 1 4 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.077 0.293 17719
1341 1 4 . 1 1 45 45 CYS C C 64 177.700 177.700 176.169 1.531 17719
1342 1 4 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.950 -1.850 17719
1343 1 4 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.238 10.162 17719
1344 1 4 . 1 1 45 45 CYS H H 64 8.270 8.270 8.328 -0.058 17719
1345 1 4 . 1 1 46 46 HIS N N 65 121.000 121.000 118.869 2.131 17719
1346 1 4 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.277 0.103 17719
1347 1 4 . 1 1 46 46 HIS C C 65 177.800 177.800 177.755 0.045 17719
1348 1 4 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.069 0.631 17719
1349 1 4 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.209 0.291 17719
1350 1 4 . 1 1 46 46 HIS H H 65 8.120 8.120 8.583 -0.463 17719
1351 1 4 . 1 1 47 47 LEU N N 66 122.300 122.300 120.978 1.322 17719
1352 1 4 . 1 1 47 47 LEU HA H 66 2.850 2.850 2.937 -0.087 17719
1353 1 4 . 1 1 47 47 LEU C C 66 178.300 178.300 178.357 -0.057 17719
1354 1 4 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.501 0.999 17719
1355 1 4 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.209 -0.609 17719
1356 1 4 . 1 1 47 47 LEU H H 66 7.630 7.630 7.747 -0.117 17719
1357 1 4 . 1 1 48 48 CYS N N 67 117.500 117.500 118.503 -1.003 17719
1358 1 4 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.920 0.520 17719
1359 1 4 . 1 1 48 48 CYS C C 67 176.700 176.700 176.826 -0.126 17719
1360 1 4 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.135 -5.934 17719
1361 1 4 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.200 9.900 17719
1362 1 4 . 1 1 48 48 CYS H H 67 8.960 8.960 8.309 0.651 17719
1363 1 4 . 1 1 49 49 THR N N 68 118.000 118.000 118.063 -0.063 17719
1364 1 4 . 1 1 49 49 THR HA H 68 3.800 3.800 3.854 -0.054 17719
1365 1 4 . 1 1 49 49 THR C C 68 175.400 175.400 176.771 -1.371 17719
1366 1 4 . 1 1 49 49 THR CA C 68 67.600 67.600 66.920 0.680 17719
1367 1 4 . 1 1 49 49 THR CB C 68 68.800 68.800 68.545 0.255 17719
1368 1 4 . 1 1 49 49 THR H H 68 8.330 8.330 8.168 0.162 17719
1369 1 4 . 1 1 50 50 GLU N N 69 121.300 121.300 120.632 0.668 17719
1370 1 4 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.111 0.149 17719
1371 1 4 . 1 1 50 50 GLU C C 69 180.000 180.000 178.825 1.175 17719
1372 1 4 . 1 1 50 50 GLU CA C 69 58.200 58.200 59.067 -0.867 17719
1373 1 4 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.102 -0.503 17719
1374 1 4 . 1 1 50 50 GLU H H 69 7.070 7.070 7.862 -0.792 17719
1375 1 4 . 1 1 51 51 SER N N 70 117.100 117.100 116.748 0.352 17719
1376 1 4 . 1 1 51 51 SER HA H 70 4.030 4.030 4.364 -0.334 17719
1377 1 4 . 1 1 51 51 SER C C 70 177.800 177.800 176.552 1.248 17719
1378 1 4 . 1 1 51 51 SER CA C 70 62.400 62.400 61.827 0.573 17719
1379 1 4 . 1 1 51 51 SER CB C 70 64.900 64.900 62.870 2.030 17719
1380 1 4 . 1 1 51 51 SER H H 70 9.040 9.040 8.084 0.956 17719
1381 1 4 . 1 1 52 52 LEU N N 71 119.100 119.100 120.642 -1.542 17719
1382 1 4 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.007 0.193 17719
1383 1 4 . 1 1 52 52 LEU C C 71 181.400 181.400 179.033 2.367 17719
1384 1 4 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.729 0.171 17719
1385 1 4 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.756 -0.456 17719
1386 1 4 . 1 1 52 52 LEU H H 71 8.540 8.540 8.252 0.288 17719
1387 1 4 . 1 1 53 53 LYS N N 72 121.700 121.700 119.516 2.184 17719
1388 1 4 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.057 -0.017 17719
1389 1 4 . 1 1 53 53 LYS C C 72 177.600 177.600 178.280 -0.680 17719
1390 1 4 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.097 0.703 17719
1391 1 4 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.475 0.625 17719
1392 1 4 . 1 1 53 53 LYS H H 72 8.380 8.380 7.865 0.515 17719
1393 1 4 . 1 1 54 54 SER N N 73 111.300 111.300 111.861 -0.561 17719
1394 1 4 . 1 1 54 54 SER HA H 73 4.600 4.600 4.591 0.009 17719
1395 1 4 . 1 1 54 54 SER C C 73 175.300 175.300 173.461 1.839 17719
1396 1 4 . 1 1 54 54 SER CA C 73 58.300 58.300 58.273 0.027 17719
1397 1 4 . 1 1 54 54 SER CB C 73 64.700 64.700 63.678 1.022 17719
1398 1 4 . 1 1 54 54 SER H H 73 8.150 8.150 8.353 -0.203 17719
1399 1 4 . 1 1 55 55 ASN N N 74 120.000 120.000 118.627 1.373 17719
1400 1 4 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.410 0.100 17719
1401 1 4 . 1 1 55 55 ASN C C 74 175.600 175.600 175.777 -0.177 17719
1402 1 4 . 1 1 55 55 ASN CA C 74 54.500 54.500 53.891 0.609 17719
1403 1 4 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.861 0.238 17719
1404 1 4 . 1 1 55 55 ASN H H 74 8.070 8.070 7.380 0.690 17719
1405 1 4 . 1 1 56 56 GLY N N 75 103.900 103.900 106.867 -2.967 17719
1406 1 4 . 1 1 56 56 GLY C C 75 174.700 174.700 173.449 1.251 17719
1407 1 4 . 1 1 56 56 GLY CA C 75 45.000 45.000 46.031 -1.031 17719
1408 1 4 . 1 1 56 56 GLY H H 75 8.970 8.970 8.856 0.114 17719
1409 1 4 . 1 1 57 57 ARG N N 76 122.200 122.200 118.898 3.302 17719
1410 1 4 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.224 -0.184 17719
1411 1 4 . 1 1 57 57 ARG C C 76 177.200 177.200 175.933 1.267 17719
1412 1 4 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.205 0.996 17719
1413 1 4 . 1 1 57 57 ARG CB C 76 30.400 30.400 31.072 -0.672 17719
1414 1 4 . 1 1 57 57 ARG H H 76 7.600 7.600 7.960 -0.360 17719
1415 1 4 . 1 1 58 58 VAL N N 77 117.000 117.000 119.159 -2.159 17719
1416 1 4 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.231 -0.521 17719
1417 1 4 . 1 1 58 58 VAL C C 77 174.500 174.500 174.103 0.397 17719
1418 1 4 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.561 2.639 17719
1419 1 4 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.218 0.582 17719
1420 1 4 . 1 1 58 58 VAL H H 77 7.340 7.340 8.002 -0.662 17719
1421 1 4 . 1 1 59 59 GLN N N 78 125.000 125.000 127.401 -2.401 17719
1422 1 4 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.682 -0.202 17719
1423 1 4 . 1 1 59 59 GLN C C 78 174.900 174.900 174.467 0.433 17719
1424 1 4 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.278 -0.478 17719
1425 1 4 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.684 -0.083 17719
1426 1 4 . 1 1 59 59 GLN H H 78 8.510 8.510 8.282 0.228 17719
1427 1 4 . 1 1 60 60 PHE N N 79 121.400 121.400 121.908 -0.508 17719
1428 1 4 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.314 -0.364 17719
1429 1 4 . 1 1 60 60 PHE C C 79 173.900 173.900 175.245 -1.345 17719
1430 1 4 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.852 0.448 17719
1431 1 4 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.182 0.718 17719
1432 1 4 . 1 1 60 60 PHE H H 79 9.050 9.050 8.697 0.353 17719
1433 1 4 . 1 1 61 61 LEU N N 80 128.900 128.900 130.093 -1.193 17719
1434 1 4 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.250 0.270 17719
1435 1 4 . 1 1 61 61 LEU C C 80 175.700 175.700 175.684 0.016 17719
1436 1 4 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.669 0.331 17719
1437 1 4 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.358 1.042 17719
1438 1 4 . 1 1 61 61 LEU H H 80 8.270 8.270 8.639 -0.369 17719
1439 1 4 . 1 1 62 62 HIS N N 81 107.500 107.500 110.270 -2.770 17719
1440 1 4 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.567 -0.197 17719
1441 1 4 . 1 1 62 62 HIS C C 81 172.000 172.000 172.584 -0.584 17719
1442 1 4 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.768 1.332 17719
1443 1 4 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.231 -1.531 17719
1444 1 4 . 1 1 62 62 HIS H H 81 6.860 6.860 7.186 -0.326 17719
1445 1 4 . 1 1 63 63 ASP N N 82 120.900 120.900 118.784 2.116 17719
1446 1 4 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.293 0.607 17719
1447 1 4 . 1 1 63 63 ASP C C 82 178.500 178.500 176.964 1.536 17719
1448 1 4 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.292 1.308 17719
1449 1 4 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.866 0.534 17719
1450 1 4 . 1 1 63 63 ASP H H 82 9.330 9.330 8.488 0.842 17719
1451 1 4 . 1 1 64 64 GLY N N 83 114.500 114.500 110.070 4.430 17719
1452 1 4 . 1 1 64 64 GLY C C 83 170.400 170.400 173.744 -3.344 17719
1453 1 4 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.467 0.433 17719
1454 1 4 . 1 1 64 64 GLY H H 83 8.330 8.330 8.471 -0.141 17719
1455 1 4 . 1 1 65 65 SER N N 84 107.400 107.400 116.510 -9.110 17719
1456 1 4 . 1 1 65 65 SER HA H 84 4.140 4.140 4.332 -0.192 17719
1457 1 4 . 1 1 65 65 SER C C 84 176.400 176.400 175.198 1.202 17719
1458 1 4 . 1 1 65 65 SER CA C 84 58.300 58.300 58.746 -0.446 17719
1459 1 4 . 1 1 65 65 SER CB C 84 63.900 63.900 63.972 -0.072 17719
1460 1 4 . 1 1 65 65 SER H H 84 7.870 7.870 8.164 -0.294 17719
1461 1 5 . 1 1 2 2 GLU N N 21 121.800 121.800 122.416 -0.616 17719
1462 1 5 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.657 -0.267 17719
1463 1 5 . 1 1 2 2 GLU C C 21 176.100 176.100 176.570 -0.470 17719
1464 1 5 . 1 1 2 2 GLU CA C 21 56.200 56.200 57.010 -0.810 17719
1465 1 5 . 1 1 2 2 GLU CB C 21 30.300 30.300 30.018 0.282 17719
1466 1 5 . 1 1 2 2 GLU H H 21 8.860 8.860 8.736 0.124 17719
1467 1 5 . 1 1 3 3 ALA N N 22 126.000 126.000 122.131 3.869 17719
1468 1 5 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.595 -0.325 17719
1469 1 5 . 1 1 3 3 ALA C C 22 177.700 177.700 175.982 1.718 17719
1470 1 5 . 1 1 3 3 ALA CA C 22 52.600 52.600 51.389 1.210 17719
1471 1 5 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.639 -0.539 17719
1472 1 5 . 1 1 3 3 ALA H H 22 8.550 8.550 7.802 0.748 17719
1473 1 5 . 1 1 4 4 ALA N N 23 123.600 123.600 121.402 2.198 17719
1474 1 5 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.195 0.115 17719
1475 1 5 . 1 1 4 4 ALA C C 23 177.900 177.900 176.534 1.366 17719
1476 1 5 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.334 0.266 17719
1477 1 5 . 1 1 4 4 ALA CB C 23 19.100 19.100 18.631 0.469 17719
1478 1 5 . 1 1 4 4 ALA H H 23 8.400 8.400 8.099 0.301 17719
1479 1 5 . 1 1 5 5 SER N N 24 115.100 115.100 116.462 -1.362 17719
1480 1 5 . 1 1 5 5 SER HA H 24 4.440 4.440 4.623 -0.183 17719
1481 1 5 . 1 1 5 5 SER C C 24 174.500 174.500 173.431 1.069 17719
1482 1 5 . 1 1 5 5 SER CA C 24 58.200 58.200 58.170 0.030 17719
1483 1 5 . 1 1 5 5 SER CB C 24 63.800 63.800 63.983 -0.183 17719
1484 1 5 . 1 1 5 5 SER H H 24 8.300 8.300 8.297 0.003 17719
1485 1 5 . 1 1 6 6 LEU N N 25 124.200 124.200 126.738 -2.538 17719
1486 1 5 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.390 0.040 17719
1487 1 5 . 1 1 6 6 LEU C C 25 177.300 177.300 176.661 0.639 17719
1488 1 5 . 1 1 6 6 LEU CA C 25 55.100 55.100 54.641 0.459 17719
1489 1 5 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.058 1.342 17719
1490 1 5 . 1 1 6 6 LEU H H 25 8.320 8.320 8.669 -0.349 17719
1491 1 5 . 1 1 7 7 SER N N 26 118.100 118.100 121.150 -3.050 17719
1492 1 5 . 1 1 7 7 SER HA H 26 4.780 4.780 4.705 0.075 17719
1493 1 5 . 1 1 7 7 SER C C 26 172.500 172.500 173.159 -0.659 17719
1494 1 5 . 1 1 7 7 SER CA C 26 56.400 56.400 56.703 -0.303 17719
1495 1 5 . 1 1 7 7 SER CB C 26 63.300 63.300 63.515 -0.215 17719
1496 1 5 . 1 1 7 7 SER H H 26 8.330 8.330 8.112 0.218 17719
1497 1 5 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.508 -0.038 17719
1498 1 5 . 1 1 8 8 PRO C C 27 176.600 176.600 175.989 0.611 17719
1499 1 5 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.619 0.381 17719
1500 1 5 . 1 1 8 8 PRO CB C 27 32.400 32.400 31.430 0.970 17719
1501 1 5 . 1 1 9 9 LYS N N 28 122.600 122.600 125.564 -2.964 17719
1502 1 5 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.163 0.057 17719
1503 1 5 . 1 1 9 9 LYS C C 28 175.600 175.600 175.824 -0.224 17719
1504 1 5 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.642 -0.142 17719
1505 1 5 . 1 1 9 9 LYS CB C 28 33.100 33.100 32.787 0.313 17719
1506 1 5 . 1 1 9 9 LYS H H 28 8.410 8.410 8.181 0.229 17719
1507 1 5 . 1 1 10 10 LYS N N 29 123.700 123.700 123.177 0.523 17719
1508 1 5 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.503 -0.183 17719
1509 1 5 . 1 1 10 10 LYS C C 29 175.800 175.800 175.438 0.362 17719
1510 1 5 . 1 1 10 10 LYS CA C 29 55.300 55.300 55.270 0.030 17719
1511 1 5 . 1 1 10 10 LYS CB C 29 33.900 33.900 33.619 0.281 17719
1512 1 5 . 1 1 10 10 LYS H H 29 8.290 8.290 8.113 0.177 17719
1513 1 5 . 1 1 11 11 VAL N N 30 122.800 122.800 121.829 0.971 17719
1514 1 5 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.877 -0.047 17719
1515 1 5 . 1 1 11 11 VAL C C 30 174.400 174.400 175.324 -0.924 17719
1516 1 5 . 1 1 11 11 VAL CA C 30 62.200 62.200 61.392 0.808 17719
1517 1 5 . 1 1 11 11 VAL CB C 30 33.400 33.400 33.175 0.225 17719
1518 1 5 . 1 1 11 11 VAL H H 30 8.010 8.010 8.176 -0.166 17719
1519 1 5 . 1 1 12 12 ASP N N 31 126.200 126.200 123.626 2.574 17719
1520 1 5 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.514 0.306 17719
1521 1 5 . 1 1 12 12 ASP C C 31 176.800 176.800 175.733 1.067 17719
1522 1 5 . 1 1 12 12 ASP CA C 31 52.200 52.200 55.038 -2.838 17719
1523 1 5 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.927 0.073 17719
1524 1 5 . 1 1 12 12 ASP H H 31 8.580 8.580 8.422 0.158 17719
1525 1 5 . 1 1 13 13 CYS N N 32 121.600 121.600 124.893 -3.293 17719
1526 1 5 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.809 0.241 17719
1527 1 5 . 1 1 13 13 CYS C C 32 176.800 176.800 175.505 1.295 17719
1528 1 5 . 1 1 13 13 CYS CA C 32 53.400 53.400 57.974 -4.574 17719
1529 1 5 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.561 5.839 17719
1530 1 5 . 1 1 13 13 CYS H H 32 9.070 9.070 8.678 0.392 17719
1531 1 5 . 1 1 14 14 SER N N 33 118.000 118.000 118.265 -0.265 17719
1532 1 5 . 1 1 14 14 SER HA H 33 4.030 4.030 4.186 -0.156 17719
1533 1 5 . 1 1 14 14 SER C C 33 177.100 177.100 176.377 0.723 17719
1534 1 5 . 1 1 14 14 SER CA C 33 62.400 62.400 61.803 0.597 17719
1535 1 5 . 1 1 14 14 SER CB C 33 62.600 62.600 62.954 -0.354 17719
1536 1 5 . 1 1 14 14 SER H H 33 8.760 8.760 8.515 0.245 17719
1537 1 5 . 1 1 15 15 ILE N N 34 117.700 117.700 117.633 0.067 17719
1538 1 5 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.789 0.201 17719
1539 1 5 . 1 1 15 15 ILE C C 34 176.600 176.600 176.566 0.034 17719
1540 1 5 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.892 -0.392 17719
1541 1 5 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.516 -0.115 17719
1542 1 5 . 1 1 15 15 ILE H H 34 7.200 7.200 8.292 -1.092 17719
1543 1 5 . 1 1 16 16 TYR N N 35 118.000 118.000 117.384 0.616 17719
1544 1 5 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.832 -0.222 17719
1545 1 5 . 1 1 16 16 TYR C C 35 176.300 176.300 177.433 -1.133 17719
1546 1 5 . 1 1 16 16 TYR CA C 35 58.800 58.800 58.545 0.255 17719
1547 1 5 . 1 1 16 16 TYR CB C 35 37.600 37.600 37.976 -0.376 17719
1548 1 5 . 1 1 16 16 TYR H H 35 7.470 7.470 7.422 0.048 17719
1549 1 5 . 1 1 17 17 LYS N N 36 119.200 119.200 118.377 0.823 17719
1550 1 5 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.164 0.066 17719
1551 1 5 . 1 1 17 17 LYS C C 36 176.300 176.300 177.201 -0.901 17719
1552 1 5 . 1 1 17 17 LYS CA C 36 58.700 58.700 57.353 1.347 17719
1553 1 5 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.581 0.719 17719
1554 1 5 . 1 1 17 17 LYS H H 36 7.590 7.590 7.480 0.110 17719
1555 1 5 . 1 1 18 18 LYS N N 37 115.100 115.100 116.429 -1.329 17719
1556 1 5 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.074 0.076 17719
1557 1 5 . 1 1 18 18 LYS C C 37 175.500 175.500 176.367 -0.867 17719
1558 1 5 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.725 -0.025 17719
1559 1 5 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.318 -0.618 17719
1560 1 5 . 1 1 18 18 LYS H H 37 7.410 7.410 7.477 -0.067 17719
1561 1 5 . 1 1 19 19 TYR N N 38 120.200 120.200 119.303 0.897 17719
1562 1 5 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.791 0.019 17719
1563 1 5 . 1 1 19 19 TYR C C 38 173.600 173.600 173.449 0.151 17719
1564 1 5 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.693 1.807 17719
1565 1 5 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.600 -0.400 17719
1566 1 5 . 1 1 19 19 TYR H H 38 7.390 7.390 7.568 -0.178 17719
1567 1 5 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.518 0.062 17719
1568 1 5 . 1 1 20 20 PRO C C 39 179.000 179.000 177.077 1.923 17719
1569 1 5 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.585 0.515 17719
1570 1 5 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.718 -1.018 17719
1571 1 5 . 1 1 21 21 VAL N N 40 123.200 123.200 121.927 1.273 17719
1572 1 5 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.774 0.246 17719
1573 1 5 . 1 1 21 21 VAL C C 40 176.400 176.400 177.177 -0.777 17719
1574 1 5 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.219 -0.519 17719
1575 1 5 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.674 0.326 17719
1576 1 5 . 1 1 21 21 VAL H H 40 8.400 8.400 8.452 -0.052 17719
1577 1 5 . 1 1 22 22 VAL N N 41 110.600 110.600 116.725 -6.125 17719
1578 1 5 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.027 0.183 17719
1579 1 5 . 1 1 22 22 VAL C C 41 175.600 175.600 175.830 -0.230 17719
1580 1 5 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.493 -1.993 17719
1581 1 5 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.761 0.039 17719
1582 1 5 . 1 1 22 22 VAL H H 41 7.140 7.140 7.738 -0.598 17719
1583 1 5 . 1 1 23 23 ALA N N 42 126.600 126.600 123.811 2.789 17719
1584 1 5 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.578 -0.088 17719
1585 1 5 . 1 1 23 23 ALA C C 42 175.700 175.700 175.748 -0.048 17719
1586 1 5 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.074 0.327 17719
1587 1 5 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.510 -0.410 17719
1588 1 5 . 1 1 23 23 ALA H H 42 8.280 8.280 7.472 0.808 17719
1589 1 5 . 1 1 24 24 ILE N N 43 123.300 123.300 124.201 -0.901 17719
1590 1 5 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.285 -0.445 17719
1591 1 5 . 1 1 24 24 ILE C C 43 174.900 174.900 173.479 1.421 17719
1592 1 5 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.780 1.720 17719
1593 1 5 . 1 1 24 24 ILE CB C 43 39.000 39.000 39.992 -0.992 17719
1594 1 5 . 1 1 24 24 ILE H H 43 7.970 7.970 7.989 -0.019 17719
1595 1 5 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.309 0.171 17719
1596 1 5 . 1 1 25 25 PRO C C 44 175.900 175.900 175.471 0.429 17719
1597 1 5 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.746 -0.946 17719
1598 1 5 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.670 -1.270 17719
1599 1 5 . 1 1 26 26 CYS N N 45 120.500 120.500 122.102 -1.602 17719
1600 1 5 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.639 0.751 17719
1601 1 5 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.489 -6.589 17719
1602 1 5 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.764 6.636 17719
1603 1 5 . 1 1 26 26 CYS H H 45 8.290 8.290 8.273 0.017 17719
1604 1 5 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.644 0.006 17719
1605 1 5 . 1 1 27 27 PRO C C 46 177.000 177.000 176.932 0.068 17719
1606 1 5 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.602 -0.202 17719
1607 1 5 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.515 0.385 17719
1608 1 5 . 1 1 28 28 ILE N N 47 116.600 116.600 112.360 4.240 17719
1609 1 5 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.272 0.088 17719
1610 1 5 . 1 1 28 28 ILE C C 47 176.200 176.200 175.799 0.401 17719
1611 1 5 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.610 -0.310 17719
1612 1 5 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.719 0.281 17719
1613 1 5 . 1 1 28 28 ILE H H 47 8.590 8.590 8.151 0.439 17719
1614 1 5 . 1 1 29 29 THR N N 48 114.700 114.700 117.815 -3.115 17719
1615 1 5 . 1 1 29 29 THR HA H 48 3.890 3.890 4.272 -0.382 17719
1616 1 5 . 1 1 29 29 THR C C 48 173.200 173.200 173.664 -0.464 17719
1617 1 5 . 1 1 29 29 THR CA C 48 62.600 62.600 63.345 -0.745 17719
1618 1 5 . 1 1 29 29 THR CB C 48 70.000 70.000 69.121 0.879 17719
1619 1 5 . 1 1 29 29 THR H H 48 7.130 7.130 7.634 -0.504 17719
1620 1 5 . 1 1 30 30 TYR N N 49 129.100 129.100 128.356 0.744 17719
1621 1 5 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.968 -0.008 17719
1622 1 5 . 1 1 30 30 TYR C C 49 173.900 173.900 174.511 -0.611 17719
1623 1 5 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.230 0.370 17719
1624 1 5 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.554 -1.554 17719
1625 1 5 . 1 1 30 30 TYR H H 49 9.020 9.020 8.540 0.480 17719
1626 1 5 . 1 1 31 31 LEU N N 50 131.700 131.700 130.264 1.436 17719
1627 1 5 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.800 -0.240 17719
1628 1 5 . 1 1 31 31 LEU C C 50 172.200 172.200 174.437 -2.237 17719
1629 1 5 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.349 1.251 17719
1630 1 5 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.820 -0.920 17719
1631 1 5 . 1 1 31 31 LEU H H 50 8.600 8.600 8.626 -0.026 17719
1632 1 5 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.646 -0.206 17719
1633 1 5 . 1 1 32 32 PRO C C 51 176.800 176.800 176.583 0.217 17719
1634 1 5 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.632 0.068 17719
1635 1 5 . 1 1 32 32 PRO CB C 51 32.900 32.900 30.940 1.960 17719
1636 1 5 . 1 1 33 33 VAL N N 52 110.700 110.700 117.556 -6.856 17719
1637 1 5 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.563 0.157 17719
1638 1 5 . 1 1 33 33 VAL C C 52 172.600 172.600 173.705 -1.105 17719
1639 1 5 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.291 0.309 17719
1640 1 5 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.640 0.060 17719
1641 1 5 . 1 1 33 33 VAL H H 52 8.230 8.230 8.388 -0.158 17719
1642 1 5 . 1 1 34 34 CYS N N 53 122.200 122.200 122.245 -0.045 17719
1643 1 5 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.352 -0.262 17719
1644 1 5 . 1 1 34 34 CYS C C 53 175.600 175.600 175.046 0.554 17719
1645 1 5 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.245 -1.745 17719
1646 1 5 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.604 10.696 17719
1647 1 5 . 1 1 34 34 CYS H H 53 8.550 8.550 8.395 0.155 17719
1648 1 5 . 1 1 35 35 GLY N N 54 115.900 115.900 113.543 2.357 17719
1649 1 5 . 1 1 35 35 GLY C C 54 174.500 174.500 174.835 -0.335 17719
1650 1 5 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.918 0.782 17719
1651 1 5 . 1 1 35 35 GLY H H 54 9.060 9.060 8.885 0.175 17719
1652 1 5 . 1 1 36 36 SER N N 55 113.400 113.400 115.024 -1.624 17719
1653 1 5 . 1 1 36 36 SER HA H 55 3.760 3.760 3.985 -0.225 17719
1654 1 5 . 1 1 36 36 SER C C 55 173.300 173.300 174.616 -1.316 17719
1655 1 5 . 1 1 36 36 SER CA C 55 60.400 60.400 60.360 0.040 17719
1656 1 5 . 1 1 36 36 SER CB C 55 62.300 62.300 63.176 -0.876 17719
1657 1 5 . 1 1 36 36 SER H H 55 9.270 9.270 8.580 0.690 17719
1658 1 5 . 1 1 37 37 ASP N N 56 121.100 121.100 119.484 1.616 17719
1659 1 5 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.438 -0.098 17719
1660 1 5 . 1 1 37 37 ASP C C 56 175.600 175.600 175.390 0.210 17719
1661 1 5 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.625 -0.525 17719
1662 1 5 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.905 -1.305 17719
1663 1 5 . 1 1 37 37 ASP H H 56 9.150 9.150 7.812 1.337 17719
1664 1 5 . 1 1 38 38 TYR N N 57 116.100 116.100 112.270 3.830 17719
1665 1 5 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.097 -0.087 17719
1666 1 5 . 1 1 38 38 TYR C C 57 174.700 174.700 174.308 0.392 17719
1667 1 5 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.117 1.883 17719
1668 1 5 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.175 -0.875 17719
1669 1 5 . 1 1 38 38 TYR H H 57 8.630 8.630 7.603 1.027 17719
1670 1 5 . 1 1 39 39 ILE N N 58 120.700 120.700 121.199 -0.499 17719
1671 1 5 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.182 -0.172 17719
1672 1 5 . 1 1 39 39 ILE C C 58 174.900 174.900 175.434 -0.534 17719
1673 1 5 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.578 -0.278 17719
1674 1 5 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.469 -0.869 17719
1675 1 5 . 1 1 39 39 ILE H H 58 7.480 7.480 7.435 0.045 17719
1676 1 5 . 1 1 40 40 THR N N 59 123.700 123.700 123.386 0.314 17719
1677 1 5 . 1 1 40 40 THR HA H 59 4.670 4.670 4.700 -0.030 17719
1678 1 5 . 1 1 40 40 THR C C 59 174.800 174.800 173.796 1.004 17719
1679 1 5 . 1 1 40 40 THR CA C 59 62.700 62.700 62.134 0.566 17719
1680 1 5 . 1 1 40 40 THR CB C 59 68.900 68.900 68.995 -0.095 17719
1681 1 5 . 1 1 40 40 THR H H 59 8.090 8.090 8.398 -0.308 17719
1682 1 5 . 1 1 41 41 TYR N N 60 129.700 129.700 126.267 3.433 17719
1683 1 5 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.621 -0.211 17719
1684 1 5 . 1 1 41 41 TYR C C 60 177.200 177.200 176.944 0.256 17719
1685 1 5 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.370 0.830 17719
1686 1 5 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.059 1.741 17719
1687 1 5 . 1 1 41 41 TYR H H 60 9.550 9.550 9.172 0.378 17719
1688 1 5 . 1 1 42 42 GLY N N 61 107.800 107.800 108.245 -0.445 17719
1689 1 5 . 1 1 42 42 GLY C C 61 172.800 172.800 172.687 0.113 17719
1690 1 5 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.618 2.082 17719
1691 1 5 . 1 1 42 42 GLY H H 61 9.310 9.310 9.012 0.298 17719
1692 1 5 . 1 1 43 43 ASN N N 62 104.600 104.600 112.908 -8.308 17719
1693 1 5 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.103 -0.153 17719
1694 1 5 . 1 1 43 43 ASN C C 62 176.700 176.700 175.353 1.347 17719
1695 1 5 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.892 0.608 17719
1696 1 5 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.707 0.193 17719
1697 1 5 . 1 1 43 43 ASN H H 62 7.380 7.380 7.743 -0.363 17719
1698 1 5 . 1 1 44 44 GLU N N 63 118.300 118.300 120.090 -1.790 17719
1699 1 5 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.130 -0.240 17719
1700 1 5 . 1 1 44 44 GLU C C 63 176.100 176.100 177.605 -1.505 17719
1701 1 5 . 1 1 44 44 GLU CA C 63 59.700 59.700 60.548 -0.848 17719
1702 1 5 . 1 1 44 44 GLU CB C 63 29.800 29.800 29.182 0.618 17719
1703 1 5 . 1 1 44 44 GLU H H 63 9.310 9.310 8.820 0.490 17719
1704 1 5 . 1 1 45 45 CYS N N 64 121.400 121.400 120.700 0.700 17719
1705 1 5 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.156 0.214 17719
1706 1 5 . 1 1 45 45 CYS C C 64 177.700 177.700 176.205 1.495 17719
1707 1 5 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.887 -1.787 17719
1708 1 5 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.229 10.171 17719
1709 1 5 . 1 1 45 45 CYS H H 64 8.270 8.270 8.438 -0.168 17719
1710 1 5 . 1 1 46 46 HIS N N 65 121.000 121.000 118.323 2.677 17719
1711 1 5 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.285 0.095 17719
1712 1 5 . 1 1 46 46 HIS C C 65 177.800 177.800 177.721 0.079 17719
1713 1 5 . 1 1 46 46 HIS CA C 65 59.700 59.700 58.925 0.775 17719
1714 1 5 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.166 0.334 17719
1715 1 5 . 1 1 46 46 HIS H H 65 8.120 8.120 8.217 -0.097 17719
1716 1 5 . 1 1 47 47 LEU N N 66 122.300 122.300 121.143 1.157 17719
1717 1 5 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.197 -0.347 17719
1718 1 5 . 1 1 47 47 LEU C C 66 178.300 178.300 178.407 -0.107 17719
1719 1 5 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.518 0.982 17719
1720 1 5 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.263 -0.663 17719
1721 1 5 . 1 1 47 47 LEU H H 66 7.630 7.630 7.577 0.053 17719
1722 1 5 . 1 1 48 48 CYS N N 67 117.500 117.500 118.587 -1.087 17719
1723 1 5 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.927 0.513 17719
1724 1 5 . 1 1 48 48 CYS C C 67 176.700 176.700 176.757 -0.057 17719
1725 1 5 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.430 -6.230 17719
1726 1 5 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.308 9.792 17719
1727 1 5 . 1 1 48 48 CYS H H 67 8.960 8.960 8.468 0.492 17719
1728 1 5 . 1 1 49 49 THR N N 68 118.000 118.000 117.917 0.083 17719
1729 1 5 . 1 1 49 49 THR HA H 68 3.800 3.800 3.857 -0.057 17719
1730 1 5 . 1 1 49 49 THR C C 68 175.400 175.400 176.409 -1.009 17719
1731 1 5 . 1 1 49 49 THR CA C 68 67.600 67.600 67.463 0.137 17719
1732 1 5 . 1 1 49 49 THR CB C 68 68.800 68.800 68.447 0.353 17719
1733 1 5 . 1 1 49 49 THR H H 68 8.330 8.330 8.249 0.081 17719
1734 1 5 . 1 1 50 50 GLU N N 69 121.300 121.300 120.961 0.339 17719
1735 1 5 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.113 0.147 17719
1736 1 5 . 1 1 50 50 GLU C C 69 180.000 180.000 179.014 0.986 17719
1737 1 5 . 1 1 50 50 GLU CA C 69 58.200 58.200 59.059 -0.858 17719
1738 1 5 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.331 -0.731 17719
1739 1 5 . 1 1 50 50 GLU H H 69 7.070 7.070 7.964 -0.894 17719
1740 1 5 . 1 1 51 51 SER N N 70 117.100 117.100 116.580 0.520 17719
1741 1 5 . 1 1 51 51 SER HA H 70 4.030 4.030 4.271 -0.241 17719
1742 1 5 . 1 1 51 51 SER C C 70 177.800 177.800 176.573 1.227 17719
1743 1 5 . 1 1 51 51 SER CA C 70 62.400 62.400 61.966 0.434 17719
1744 1 5 . 1 1 51 51 SER CB C 70 64.900 64.900 63.009 1.891 17719
1745 1 5 . 1 1 51 51 SER H H 70 9.040 9.040 8.085 0.955 17719
1746 1 5 . 1 1 52 52 LEU N N 71 119.100 119.100 121.401 -2.301 17719
1747 1 5 . 1 1 52 52 LEU HA H 71 4.200 4.200 3.993 0.207 17719
1748 1 5 . 1 1 52 52 LEU C C 71 181.400 181.400 179.211 2.189 17719
1749 1 5 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.768 0.132 17719
1750 1 5 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.624 -0.324 17719
1751 1 5 . 1 1 52 52 LEU H H 71 8.540 8.540 8.532 0.008 17719
1752 1 5 . 1 1 53 53 LYS N N 72 121.700 121.700 120.451 1.249 17719
1753 1 5 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.082 -0.042 17719
1754 1 5 . 1 1 53 53 LYS C C 72 177.600 177.600 177.239 0.361 17719
1755 1 5 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.013 0.787 17719
1756 1 5 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.589 0.511 17719
1757 1 5 . 1 1 53 53 LYS H H 72 8.380 8.380 8.403 -0.023 17719
1758 1 5 . 1 1 54 54 SER N N 73 111.300 111.300 111.930 -0.630 17719
1759 1 5 . 1 1 54 54 SER HA H 73 4.600 4.600 4.568 0.032 17719
1760 1 5 . 1 1 54 54 SER C C 73 175.300 175.300 174.423 0.877 17719
1761 1 5 . 1 1 54 54 SER CA C 73 58.300 58.300 57.497 0.803 17719
1762 1 5 . 1 1 54 54 SER CB C 73 64.700 64.700 64.243 0.457 17719
1763 1 5 . 1 1 54 54 SER H H 73 8.150 8.150 7.589 0.561 17719
1764 1 5 . 1 1 55 55 ASN N N 74 120.000 120.000 120.254 -0.254 17719
1765 1 5 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.379 0.131 17719
1766 1 5 . 1 1 55 55 ASN C C 74 175.600 175.600 175.584 0.016 17719
1767 1 5 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.358 0.142 17719
1768 1 5 . 1 1 55 55 ASN CB C 74 37.100 37.100 37.597 -0.497 17719
1769 1 5 . 1 1 55 55 ASN H H 74 8.070 8.070 8.007 0.063 17719
1770 1 5 . 1 1 56 56 GLY N N 75 103.900 103.900 104.603 -0.703 17719
1771 1 5 . 1 1 56 56 GLY C C 75 174.700 174.700 173.981 0.719 17719
1772 1 5 . 1 1 56 56 GLY CA C 75 45.000 45.000 44.944 0.056 17719
1773 1 5 . 1 1 56 56 GLY H H 75 8.970 8.970 8.584 0.386 17719
1774 1 5 . 1 1 57 57 ARG N N 76 122.200 122.200 120.681 1.519 17719
1775 1 5 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.205 -0.165 17719
1776 1 5 . 1 1 57 57 ARG C C 76 177.200 177.200 175.822 1.378 17719
1777 1 5 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.652 0.548 17719
1778 1 5 . 1 1 57 57 ARG CB C 76 30.400 30.400 31.023 -0.623 17719
1779 1 5 . 1 1 57 57 ARG H H 76 7.600 7.600 7.664 -0.064 17719
1780 1 5 . 1 1 58 58 VAL N N 77 117.000 117.000 120.093 -3.093 17719
1781 1 5 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.326 -0.616 17719
1782 1 5 . 1 1 58 58 VAL C C 77 174.500 174.500 174.466 0.034 17719
1783 1 5 . 1 1 58 58 VAL CA C 77 63.200 63.200 61.684 1.516 17719
1784 1 5 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.916 -0.116 17719
1785 1 5 . 1 1 58 58 VAL H H 77 7.340 7.340 7.398 -0.058 17719
1786 1 5 . 1 1 59 59 GLN N N 78 125.000 125.000 126.508 -1.508 17719
1787 1 5 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.751 -0.271 17719
1788 1 5 . 1 1 59 59 GLN C C 78 174.900 174.900 174.509 0.391 17719
1789 1 5 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.902 -0.102 17719
1790 1 5 . 1 1 59 59 GLN CB C 78 32.600 32.600 33.116 -0.516 17719
1791 1 5 . 1 1 59 59 GLN H H 78 8.510 8.510 8.945 -0.435 17719
1792 1 5 . 1 1 60 60 PHE N N 79 121.400 121.400 120.381 1.019 17719
1793 1 5 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.367 -0.417 17719
1794 1 5 . 1 1 60 60 PHE C C 79 173.900 173.900 174.662 -0.762 17719
1795 1 5 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.605 0.695 17719
1796 1 5 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.538 0.362 17719
1797 1 5 . 1 1 60 60 PHE H H 79 9.050 9.050 8.693 0.357 17719
1798 1 5 . 1 1 61 61 LEU N N 80 128.900 128.900 127.216 1.684 17719
1799 1 5 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.416 0.104 17719
1800 1 5 . 1 1 61 61 LEU C C 80 175.700 175.700 175.094 0.606 17719
1801 1 5 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.181 0.819 17719
1802 1 5 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.878 0.522 17719
1803 1 5 . 1 1 61 61 LEU H H 80 8.270 8.270 8.545 -0.275 17719
1804 1 5 . 1 1 62 62 HIS N N 81 107.500 107.500 110.571 -3.071 17719
1805 1 5 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.550 -0.180 17719
1806 1 5 . 1 1 62 62 HIS C C 81 172.000 172.000 172.430 -0.430 17719
1807 1 5 . 1 1 62 62 HIS CA C 81 55.100 55.100 54.184 0.916 17719
1808 1 5 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.312 -1.612 17719
1809 1 5 . 1 1 62 62 HIS H H 81 6.860 6.860 6.937 -0.077 17719
1810 1 5 . 1 1 63 63 ASP N N 82 120.900 120.900 120.359 0.541 17719
1811 1 5 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.442 0.458 17719
1812 1 5 . 1 1 63 63 ASP C C 82 178.500 178.500 177.257 1.243 17719
1813 1 5 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.843 -0.243 17719
1814 1 5 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.723 0.677 17719
1815 1 5 . 1 1 63 63 ASP H H 82 9.330 9.330 8.540 0.790 17719
1816 1 5 . 1 1 64 64 GLY N N 83 114.500 114.500 109.939 4.561 17719
1817 1 5 . 1 1 64 64 GLY C C 83 170.400 170.400 173.639 -3.239 17719
1818 1 5 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.458 0.442 17719
1819 1 5 . 1 1 64 64 GLY H H 83 8.330 8.330 8.314 0.016 17719
1820 1 5 . 1 1 65 65 SER N N 84 107.400 107.400 116.546 -9.146 17719
1821 1 5 . 1 1 65 65 SER HA H 84 4.140 4.140 4.251 -0.111 17719
1822 1 5 . 1 1 65 65 SER C C 84 176.400 176.400 175.602 0.798 17719
1823 1 5 . 1 1 65 65 SER CA C 84 58.300 58.300 59.070 -0.770 17719
1824 1 5 . 1 1 65 65 SER CB C 84 63.900 63.900 63.799 0.101 17719
1825 1 5 . 1 1 65 65 SER H H 84 7.870 7.870 8.410 -0.540 17719
1826 1 6 . 1 1 2 2 GLU N N 21 121.800 121.800 121.885 -0.085 17719
1827 1 6 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.515 -0.125 17719
1828 1 6 . 1 1 2 2 GLU C C 21 176.100 176.100 174.947 1.153 17719
1829 1 6 . 1 1 2 2 GLU CA C 21 56.200 56.200 55.708 0.492 17719
1830 1 6 . 1 1 2 2 GLU CB C 21 30.300 30.300 30.818 -0.518 17719
1831 1 6 . 1 1 2 2 GLU H H 21 8.860 8.860 8.158 0.702 17719
1832 1 6 . 1 1 3 3 ALA N N 22 126.000 126.000 123.950 2.050 17719
1833 1 6 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.728 -0.458 17719
1834 1 6 . 1 1 3 3 ALA C C 22 177.700 177.700 176.210 1.490 17719
1835 1 6 . 1 1 3 3 ALA CA C 22 52.600 52.600 51.874 0.726 17719
1836 1 6 . 1 1 3 3 ALA CB C 22 19.100 19.100 18.407 0.694 17719
1837 1 6 . 1 1 3 3 ALA H H 22 8.550 8.550 8.494 0.056 17719
1838 1 6 . 1 1 4 4 ALA N N 23 123.600 123.600 124.098 -0.498 17719
1839 1 6 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.520 -0.210 17719
1840 1 6 . 1 1 4 4 ALA C C 23 177.900 177.900 178.130 -0.230 17719
1841 1 6 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.653 -0.053 17719
1842 1 6 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.678 -0.578 17719
1843 1 6 . 1 1 4 4 ALA H H 23 8.400 8.400 8.097 0.303 17719
1844 1 6 . 1 1 5 5 SER N N 24 115.100 115.100 115.188 -0.088 17719
1845 1 6 . 1 1 5 5 SER HA H 24 4.440 4.440 4.405 0.035 17719
1846 1 6 . 1 1 5 5 SER C C 24 174.500 174.500 175.113 -0.613 17719
1847 1 6 . 1 1 5 5 SER CA C 24 58.200 58.200 59.468 -1.268 17719
1848 1 6 . 1 1 5 5 SER CB C 24 63.800 63.800 63.527 0.273 17719
1849 1 6 . 1 1 5 5 SER H H 24 8.300 8.300 8.505 -0.205 17719
1850 1 6 . 1 1 6 6 LEU N N 25 124.200 124.200 121.712 2.488 17719
1851 1 6 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.557 -0.127 17719
1852 1 6 . 1 1 6 6 LEU C C 25 177.300 177.300 175.104 2.196 17719
1853 1 6 . 1 1 6 6 LEU CA C 25 55.100 55.100 53.508 1.592 17719
1854 1 6 . 1 1 6 6 LEU CB C 25 42.400 42.400 44.860 -2.460 17719
1855 1 6 . 1 1 6 6 LEU H H 25 8.320 8.320 7.402 0.917 17719
1856 1 6 . 1 1 7 7 SER N N 26 118.100 118.100 116.883 1.217 17719
1857 1 6 . 1 1 7 7 SER HA H 26 4.780 4.780 4.508 0.272 17719
1858 1 6 . 1 1 7 7 SER C C 26 172.500 172.500 172.963 -0.463 17719
1859 1 6 . 1 1 7 7 SER CA C 26 56.400 56.400 57.664 -1.264 17719
1860 1 6 . 1 1 7 7 SER CB C 26 63.300 63.300 63.095 0.205 17719
1861 1 6 . 1 1 7 7 SER H H 26 8.330 8.330 8.268 0.062 17719
1862 1 6 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.460 0.010 17719
1863 1 6 . 1 1 8 8 PRO C C 27 176.600 176.600 175.498 1.102 17719
1864 1 6 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.852 0.148 17719
1865 1 6 . 1 1 8 8 PRO CB C 27 32.400 32.400 32.504 -0.104 17719
1866 1 6 . 1 1 9 9 LYS N N 28 122.600 122.600 123.265 -0.665 17719
1867 1 6 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.359 -0.139 17719
1868 1 6 . 1 1 9 9 LYS C C 28 175.600 175.600 176.314 -0.714 17719
1869 1 6 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.520 -0.020 17719
1870 1 6 . 1 1 9 9 LYS CB C 28 33.100 33.100 32.863 0.237 17719
1871 1 6 . 1 1 9 9 LYS H H 28 8.410 8.410 8.429 -0.019 17719
1872 1 6 . 1 1 10 10 LYS N N 29 123.700 123.700 119.646 4.054 17719
1873 1 6 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.336 -0.016 17719
1874 1 6 . 1 1 10 10 LYS C C 29 175.800 175.800 174.347 1.453 17719
1875 1 6 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.503 0.797 17719
1876 1 6 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.013 -0.113 17719
1877 1 6 . 1 1 10 10 LYS H H 29 8.290 8.290 7.943 0.347 17719
1878 1 6 . 1 1 11 11 VAL N N 30 122.800 122.800 119.814 2.986 17719
1879 1 6 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.817 0.013 17719
1880 1 6 . 1 1 11 11 VAL C C 30 174.400 174.400 174.530 -0.130 17719
1881 1 6 . 1 1 11 11 VAL CA C 30 62.200 62.200 61.812 0.388 17719
1882 1 6 . 1 1 11 11 VAL CB C 30 33.400 33.400 33.140 0.260 17719
1883 1 6 . 1 1 11 11 VAL H H 30 8.010 8.010 7.746 0.264 17719
1884 1 6 . 1 1 12 12 ASP N N 31 126.200 126.200 126.295 -0.095 17719
1885 1 6 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.533 0.287 17719
1886 1 6 . 1 1 12 12 ASP C C 31 176.800 176.800 175.880 0.920 17719
1887 1 6 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.956 -2.756 17719
1888 1 6 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.313 0.687 17719
1889 1 6 . 1 1 12 12 ASP H H 31 8.580 8.580 8.696 -0.116 17719
1890 1 6 . 1 1 13 13 CYS N N 32 121.600 121.600 124.560 -2.960 17719
1891 1 6 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.750 0.300 17719
1892 1 6 . 1 1 13 13 CYS C C 32 176.800 176.800 175.846 0.954 17719
1893 1 6 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.575 -5.175 17719
1894 1 6 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.606 5.794 17719
1895 1 6 . 1 1 13 13 CYS H H 32 9.070 9.070 8.241 0.829 17719
1896 1 6 . 1 1 14 14 SER N N 33 118.000 118.000 117.365 0.635 17719
1897 1 6 . 1 1 14 14 SER HA H 33 4.030 4.030 4.145 -0.115 17719
1898 1 6 . 1 1 14 14 SER C C 33 177.100 177.100 176.454 0.646 17719
1899 1 6 . 1 1 14 14 SER CA C 33 62.400 62.400 61.560 0.840 17719
1900 1 6 . 1 1 14 14 SER CB C 33 62.600 62.600 63.010 -0.410 17719
1901 1 6 . 1 1 14 14 SER H H 33 8.760 8.760 8.332 0.428 17719
1902 1 6 . 1 1 15 15 ILE N N 34 117.700 117.700 117.315 0.385 17719
1903 1 6 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.867 0.123 17719
1904 1 6 . 1 1 15 15 ILE C C 34 176.600 176.600 176.688 -0.088 17719
1905 1 6 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.995 -0.495 17719
1906 1 6 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.499 -0.099 17719
1907 1 6 . 1 1 15 15 ILE H H 34 7.200 7.200 7.912 -0.712 17719
1908 1 6 . 1 1 16 16 TYR N N 35 118.000 118.000 119.060 -1.060 17719
1909 1 6 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.776 -0.166 17719
1910 1 6 . 1 1 16 16 TYR C C 35 176.300 176.300 177.716 -1.416 17719
1911 1 6 . 1 1 16 16 TYR CA C 35 58.800 58.800 60.474 -1.674 17719
1912 1 6 . 1 1 16 16 TYR CB C 35 37.600 37.600 37.991 -0.391 17719
1913 1 6 . 1 1 16 16 TYR H H 35 7.470 7.470 7.750 -0.280 17719
1914 1 6 . 1 1 17 17 LYS N N 36 119.200 119.200 117.539 1.661 17719
1915 1 6 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.189 0.041 17719
1916 1 6 . 1 1 17 17 LYS C C 36 176.300 176.300 176.946 -0.646 17719
1917 1 6 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.022 0.678 17719
1918 1 6 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.239 0.062 17719
1919 1 6 . 1 1 17 17 LYS H H 36 7.590 7.590 7.448 0.142 17719
1920 1 6 . 1 1 18 18 LYS N N 37 115.100 115.100 115.458 -0.358 17719
1921 1 6 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.059 0.091 17719
1922 1 6 . 1 1 18 18 LYS C C 37 175.500 175.500 176.662 -1.162 17719
1923 1 6 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.005 -0.305 17719
1924 1 6 . 1 1 18 18 LYS CB C 37 31.700 31.700 31.936 -0.236 17719
1925 1 6 . 1 1 18 18 LYS H H 37 7.410 7.410 7.386 0.024 17719
1926 1 6 . 1 1 19 19 TYR N N 38 120.200 120.200 121.317 -1.117 17719
1927 1 6 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.760 0.050 17719
1928 1 6 . 1 1 19 19 TYR C C 38 173.600 173.600 173.833 -0.233 17719
1929 1 6 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.867 1.633 17719
1930 1 6 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.950 0.250 17719
1931 1 6 . 1 1 19 19 TYR H H 38 7.390 7.390 7.636 -0.246 17719
1932 1 6 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.434 0.146 17719
1933 1 6 . 1 1 20 20 PRO C C 39 179.000 179.000 177.969 1.031 17719
1934 1 6 . 1 1 20 20 PRO CA C 39 63.100 63.100 63.103 -0.003 17719
1935 1 6 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.270 -0.570 17719
1936 1 6 . 1 1 21 21 VAL N N 40 123.200 123.200 121.142 2.058 17719
1937 1 6 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.705 0.315 17719
1938 1 6 . 1 1 21 21 VAL C C 40 176.400 176.400 176.818 -0.418 17719
1939 1 6 . 1 1 21 21 VAL CA C 40 64.700 64.700 64.962 -0.262 17719
1940 1 6 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.064 0.936 17719
1941 1 6 . 1 1 21 21 VAL H H 40 8.400 8.400 8.338 0.062 17719
1942 1 6 . 1 1 22 22 VAL N N 41 110.600 110.600 111.073 -0.473 17719
1943 1 6 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.194 0.016 17719
1944 1 6 . 1 1 22 22 VAL C C 41 175.600 175.600 175.724 -0.124 17719
1945 1 6 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.856 -1.356 17719
1946 1 6 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.441 0.359 17719
1947 1 6 . 1 1 22 22 VAL H H 41 7.140 7.140 7.620 -0.480 17719
1948 1 6 . 1 1 23 23 ALA N N 42 126.600 126.600 124.087 2.513 17719
1949 1 6 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.615 -0.125 17719
1950 1 6 . 1 1 23 23 ALA C C 42 175.700 175.700 175.886 -0.186 17719
1951 1 6 . 1 1 23 23 ALA CA C 42 51.400 51.400 50.959 0.441 17719
1952 1 6 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.364 -0.264 17719
1953 1 6 . 1 1 23 23 ALA H H 42 8.280 8.280 7.643 0.637 17719
1954 1 6 . 1 1 24 24 ILE N N 43 123.300 123.300 124.276 -0.976 17719
1955 1 6 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.294 -0.454 17719
1956 1 6 . 1 1 24 24 ILE C C 43 174.900 174.900 173.556 1.344 17719
1957 1 6 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.759 1.741 17719
1958 1 6 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.019 -1.019 17719
1959 1 6 . 1 1 24 24 ILE H H 43 7.970 7.970 8.002 -0.032 17719
1960 1 6 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.296 0.184 17719
1961 1 6 . 1 1 25 25 PRO C C 44 175.900 175.900 175.516 0.384 17719
1962 1 6 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.729 -0.929 17719
1963 1 6 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.727 -1.327 17719
1964 1 6 . 1 1 26 26 CYS N N 45 120.500 120.500 122.559 -2.059 17719
1965 1 6 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.580 0.810 17719
1966 1 6 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.302 -6.402 17719
1967 1 6 . 1 1 26 26 CYS CB C 45 35.400 35.400 27.977 7.423 17719
1968 1 6 . 1 1 26 26 CYS H H 45 8.290 8.290 8.257 0.033 17719
1969 1 6 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.633 0.017 17719
1970 1 6 . 1 1 27 27 PRO C C 46 177.000 177.000 176.534 0.466 17719
1971 1 6 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.611 -0.211 17719
1972 1 6 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.460 0.440 17719
1973 1 6 . 1 1 28 28 ILE N N 47 116.600 116.600 113.558 3.042 17719
1974 1 6 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.268 0.092 17719
1975 1 6 . 1 1 28 28 ILE C C 47 176.200 176.200 176.128 0.072 17719
1976 1 6 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.886 -0.586 17719
1977 1 6 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.661 0.339 17719
1978 1 6 . 1 1 28 28 ILE H H 47 8.590 8.590 8.187 0.403 17719
1979 1 6 . 1 1 29 29 THR N N 48 114.700 114.700 118.436 -3.736 17719
1980 1 6 . 1 1 29 29 THR HA H 48 3.890 3.890 4.200 -0.310 17719
1981 1 6 . 1 1 29 29 THR C C 48 173.200 173.200 173.256 -0.056 17719
1982 1 6 . 1 1 29 29 THR CA C 48 62.600 62.600 62.812 -0.212 17719
1983 1 6 . 1 1 29 29 THR CB C 48 70.000 70.000 69.087 0.913 17719
1984 1 6 . 1 1 29 29 THR H H 48 7.130 7.130 7.582 -0.452 17719
1985 1 6 . 1 1 30 30 TYR N N 49 129.100 129.100 128.956 0.144 17719
1986 1 6 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.605 0.355 17719
1987 1 6 . 1 1 30 30 TYR C C 49 173.900 173.900 174.734 -0.834 17719
1988 1 6 . 1 1 30 30 TYR CA C 49 57.600 57.600 58.341 -0.741 17719
1989 1 6 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.504 -1.504 17719
1990 1 6 . 1 1 30 30 TYR H H 49 9.020 9.020 8.624 0.396 17719
1991 1 6 . 1 1 31 31 LEU N N 50 131.700 131.700 130.068 1.632 17719
1992 1 6 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.824 -0.264 17719
1993 1 6 . 1 1 31 31 LEU C C 50 172.200 172.200 174.332 -2.132 17719
1994 1 6 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.631 0.969 17719
1995 1 6 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.421 -1.521 17719
1996 1 6 . 1 1 31 31 LEU H H 50 8.600 8.600 8.574 0.026 17719
1997 1 6 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.688 -0.248 17719
1998 1 6 . 1 1 32 32 PRO C C 51 176.800 176.800 176.497 0.303 17719
1999 1 6 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.888 -0.188 17719
2000 1 6 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.322 1.578 17719
2001 1 6 . 1 1 33 33 VAL N N 52 110.700 110.700 119.751 -9.051 17719
2002 1 6 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.529 0.191 17719
2003 1 6 . 1 1 33 33 VAL C C 52 172.600 172.600 173.807 -1.207 17719
2004 1 6 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.987 -0.387 17719
2005 1 6 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.480 0.220 17719
2006 1 6 . 1 1 33 33 VAL H H 52 8.230 8.230 8.366 -0.136 17719
2007 1 6 . 1 1 34 34 CYS N N 53 122.200 122.200 122.805 -0.605 17719
2008 1 6 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.282 -0.192 17719
2009 1 6 . 1 1 34 34 CYS C C 53 175.600 175.600 175.101 0.499 17719
2010 1 6 . 1 1 34 34 CYS CA C 53 54.500 54.500 55.976 -1.476 17719
2011 1 6 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.714 10.586 17719
2012 1 6 . 1 1 34 34 CYS H H 53 8.550 8.550 8.621 -0.071 17719
2013 1 6 . 1 1 35 35 GLY N N 54 115.900 115.900 113.524 2.376 17719
2014 1 6 . 1 1 35 35 GLY C C 54 174.500 174.500 175.414 -0.914 17719
2015 1 6 . 1 1 35 35 GLY CA C 54 44.700 44.700 44.036 0.664 17719
2016 1 6 . 1 1 35 35 GLY H H 54 9.060 9.060 9.207 -0.147 17719
2017 1 6 . 1 1 36 36 SER N N 55 113.400 113.400 116.769 -3.369 17719
2018 1 6 . 1 1 36 36 SER HA H 55 3.760 3.760 4.239 -0.479 17719
2019 1 6 . 1 1 36 36 SER C C 55 173.300 173.300 174.793 -1.493 17719
2020 1 6 . 1 1 36 36 SER CA C 55 60.400 60.400 61.536 -1.136 17719
2021 1 6 . 1 1 36 36 SER CB C 55 62.300 62.300 63.058 -0.758 17719
2022 1 6 . 1 1 36 36 SER H H 55 9.270 9.270 8.668 0.602 17719
2023 1 6 . 1 1 37 37 ASP N N 56 121.100 121.100 120.264 0.836 17719
2024 1 6 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.653 -0.313 17719
2025 1 6 . 1 1 37 37 ASP C C 56 175.600 175.600 175.967 -0.367 17719
2026 1 6 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.253 -0.153 17719
2027 1 6 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.744 -1.144 17719
2028 1 6 . 1 1 37 37 ASP H H 56 9.150 9.150 8.240 0.910 17719
2029 1 6 . 1 1 38 38 TYR N N 57 116.100 116.100 116.995 -0.895 17719
2030 1 6 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.191 -0.181 17719
2031 1 6 . 1 1 38 38 TYR C C 57 174.700 174.700 173.929 0.771 17719
2032 1 6 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.376 1.624 17719
2033 1 6 . 1 1 38 38 TYR CB C 57 34.300 34.300 36.218 -1.918 17719
2034 1 6 . 1 1 38 38 TYR H H 57 8.630 8.630 7.950 0.680 17719
2035 1 6 . 1 1 39 39 ILE N N 58 120.700 120.700 121.891 -1.191 17719
2036 1 6 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.252 -0.242 17719
2037 1 6 . 1 1 39 39 ILE C C 58 174.900 174.900 175.256 -0.356 17719
2038 1 6 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.217 0.083 17719
2039 1 6 . 1 1 39 39 ILE CB C 58 37.600 37.600 40.182 -2.582 17719
2040 1 6 . 1 1 39 39 ILE H H 58 7.480 7.480 7.420 0.060 17719
2041 1 6 . 1 1 40 40 THR N N 59 123.700 123.700 123.165 0.535 17719
2042 1 6 . 1 1 40 40 THR HA H 59 4.670 4.670 4.756 -0.086 17719
2043 1 6 . 1 1 40 40 THR C C 59 174.800 174.800 173.770 1.030 17719
2044 1 6 . 1 1 40 40 THR CA C 59 62.700 62.700 62.633 0.067 17719
2045 1 6 . 1 1 40 40 THR CB C 59 68.900 68.900 69.320 -0.420 17719
2046 1 6 . 1 1 40 40 THR H H 59 8.090 8.090 8.332 -0.242 17719
2047 1 6 . 1 1 41 41 TYR N N 60 129.700 129.700 126.014 3.686 17719
2048 1 6 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.626 -0.216 17719
2049 1 6 . 1 1 41 41 TYR C C 60 177.200 177.200 176.826 0.374 17719
2050 1 6 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.047 1.153 17719
2051 1 6 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.931 0.869 17719
2052 1 6 . 1 1 41 41 TYR H H 60 9.550 9.550 9.233 0.317 17719
2053 1 6 . 1 1 42 42 GLY N N 61 107.800 107.800 108.643 -0.843 17719
2054 1 6 . 1 1 42 42 GLY C C 61 172.800 172.800 172.484 0.316 17719
2055 1 6 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.631 2.069 17719
2056 1 6 . 1 1 42 42 GLY H H 61 9.310 9.310 8.955 0.355 17719
2057 1 6 . 1 1 43 43 ASN N N 62 104.600 104.600 113.067 -8.467 17719
2058 1 6 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.023 -0.073 17719
2059 1 6 . 1 1 43 43 ASN C C 62 176.700 176.700 175.456 1.244 17719
2060 1 6 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.517 0.983 17719
2061 1 6 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.042 0.858 17719
2062 1 6 . 1 1 43 43 ASN H H 62 7.380 7.380 7.541 -0.161 17719
2063 1 6 . 1 1 44 44 GLU N N 63 118.300 118.300 120.007 -1.707 17719
2064 1 6 . 1 1 44 44 GLU HA H 63 3.890 3.890 3.807 0.083 17719
2065 1 6 . 1 1 44 44 GLU C C 63 176.100 176.100 177.778 -1.678 17719
2066 1 6 . 1 1 44 44 GLU CA C 63 59.700 59.700 60.412 -0.712 17719
2067 1 6 . 1 1 44 44 GLU CB C 63 29.800 29.800 29.380 0.420 17719
2068 1 6 . 1 1 44 44 GLU H H 63 9.310 9.310 8.723 0.587 17719
2069 1 6 . 1 1 45 45 CYS N N 64 121.400 121.400 119.925 1.475 17719
2070 1 6 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.289 0.081 17719
2071 1 6 . 1 1 45 45 CYS C C 64 177.700 177.700 176.667 1.033 17719
2072 1 6 . 1 1 45 45 CYS CA C 64 60.100 60.100 62.250 -2.150 17719
2073 1 6 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.394 10.006 17719
2074 1 6 . 1 1 45 45 CYS H H 64 8.270 8.270 7.548 0.722 17719
2075 1 6 . 1 1 46 46 HIS N N 65 121.000 121.000 118.722 2.278 17719
2076 1 6 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.291 0.089 17719
2077 1 6 . 1 1 46 46 HIS C C 65 177.800 177.800 177.816 -0.016 17719
2078 1 6 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.462 0.237 17719
2079 1 6 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.227 0.273 17719
2080 1 6 . 1 1 46 46 HIS H H 65 8.120 8.120 7.676 0.444 17719
2081 1 6 . 1 1 47 47 LEU N N 66 122.300 122.300 120.941 1.359 17719
2082 1 6 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.077 -0.227 17719
2083 1 6 . 1 1 47 47 LEU C C 66 178.300 178.300 177.592 0.708 17719
2084 1 6 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.207 1.293 17719
2085 1 6 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.037 -0.437 17719
2086 1 6 . 1 1 47 47 LEU H H 66 7.630 7.630 7.717 -0.087 17719
2087 1 6 . 1 1 48 48 CYS N N 67 117.500 117.500 118.635 -1.135 17719
2088 1 6 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.965 0.475 17719
2089 1 6 . 1 1 48 48 CYS C C 67 176.700 176.700 176.971 -0.271 17719
2090 1 6 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.420 -6.220 17719
2091 1 6 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.014 10.086 17719
2092 1 6 . 1 1 48 48 CYS H H 67 8.960 8.960 8.586 0.374 17719
2093 1 6 . 1 1 49 49 THR N N 68 118.000 118.000 117.937 0.063 17719
2094 1 6 . 1 1 49 49 THR HA H 68 3.800 3.800 3.976 -0.176 17719
2095 1 6 . 1 1 49 49 THR C C 68 175.400 175.400 176.517 -1.117 17719
2096 1 6 . 1 1 49 49 THR CA C 68 67.600 67.600 67.321 0.279 17719
2097 1 6 . 1 1 49 49 THR CB C 68 68.800 68.800 68.480 0.320 17719
2098 1 6 . 1 1 49 49 THR H H 68 8.330 8.330 8.503 -0.173 17719
2099 1 6 . 1 1 50 50 GLU N N 69 121.300 121.300 120.833 0.467 17719
2100 1 6 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.166 0.094 17719
2101 1 6 . 1 1 50 50 GLU C C 69 180.000 180.000 178.986 1.014 17719
2102 1 6 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.913 -0.713 17719
2103 1 6 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.343 -0.743 17719
2104 1 6 . 1 1 50 50 GLU H H 69 7.070 7.070 7.677 -0.607 17719
2105 1 6 . 1 1 51 51 SER N N 70 117.100 117.100 116.778 0.322 17719
2106 1 6 . 1 1 51 51 SER HA H 70 4.030 4.030 4.444 -0.414 17719
2107 1 6 . 1 1 51 51 SER C C 70 177.800 177.800 176.511 1.289 17719
2108 1 6 . 1 1 51 51 SER CA C 70 62.400 62.400 61.693 0.707 17719
2109 1 6 . 1 1 51 51 SER CB C 70 64.900 64.900 62.921 1.979 17719
2110 1 6 . 1 1 51 51 SER H H 70 9.040 9.040 8.133 0.907 17719
2111 1 6 . 1 1 52 52 LEU N N 71 119.100 119.100 121.082 -1.982 17719
2112 1 6 . 1 1 52 52 LEU HA H 71 4.200 4.200 3.971 0.229 17719
2113 1 6 . 1 1 52 52 LEU C C 71 181.400 181.400 179.291 2.109 17719
2114 1 6 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.633 0.267 17719
2115 1 6 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.852 -0.552 17719
2116 1 6 . 1 1 52 52 LEU H H 71 8.540 8.540 8.328 0.212 17719
2117 1 6 . 1 1 53 53 LYS N N 72 121.700 121.700 118.836 2.864 17719
2118 1 6 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.052 -0.012 17719
2119 1 6 . 1 1 53 53 LYS C C 72 177.600 177.600 178.304 -0.704 17719
2120 1 6 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.130 0.670 17719
2121 1 6 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.561 0.539 17719
2122 1 6 . 1 1 53 53 LYS H H 72 8.380 8.380 8.213 0.167 17719
2123 1 6 . 1 1 54 54 SER N N 73 111.300 111.300 111.934 -0.634 17719
2124 1 6 . 1 1 54 54 SER HA H 73 4.600 4.600 4.488 0.112 17719
2125 1 6 . 1 1 54 54 SER C C 73 175.300 175.300 174.295 1.005 17719
2126 1 6 . 1 1 54 54 SER CA C 73 58.300 58.300 58.643 -0.343 17719
2127 1 6 . 1 1 54 54 SER CB C 73 64.700 64.700 63.955 0.745 17719
2128 1 6 . 1 1 54 54 SER H H 73 8.150 8.150 7.833 0.317 17719
2129 1 6 . 1 1 55 55 ASN N N 74 120.000 120.000 118.211 1.789 17719
2130 1 6 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.454 0.056 17719
2131 1 6 . 1 1 55 55 ASN C C 74 175.600 175.600 175.235 0.365 17719
2132 1 6 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.199 0.301 17719
2133 1 6 . 1 1 55 55 ASN CB C 74 37.100 37.100 37.148 -0.048 17719
2134 1 6 . 1 1 55 55 ASN H H 74 8.070 8.070 7.825 0.245 17719
2135 1 6 . 1 1 56 56 GLY N N 75 103.900 103.900 103.804 0.096 17719
2136 1 6 . 1 1 56 56 GLY C C 75 174.700 174.700 174.212 0.488 17719
2137 1 6 . 1 1 56 56 GLY CA C 75 45.000 45.000 44.943 0.057 17719
2138 1 6 . 1 1 56 56 GLY H H 75 8.970 8.970 8.575 0.395 17719
2139 1 6 . 1 1 57 57 ARG N N 76 122.200 122.200 120.764 1.436 17719
2140 1 6 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.300 -0.260 17719
2141 1 6 . 1 1 57 57 ARG C C 76 177.200 177.200 176.312 0.888 17719
2142 1 6 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.205 0.995 17719
2143 1 6 . 1 1 57 57 ARG CB C 76 30.400 30.400 31.006 -0.606 17719
2144 1 6 . 1 1 57 57 ARG H H 76 7.600 7.600 7.697 -0.097 17719
2145 1 6 . 1 1 58 58 VAL N N 77 117.000 117.000 118.298 -1.298 17719
2146 1 6 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.272 -0.562 17719
2147 1 6 . 1 1 58 58 VAL C C 77 174.500 174.500 173.728 0.772 17719
2148 1 6 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.981 2.219 17719
2149 1 6 . 1 1 58 58 VAL CB C 77 32.800 32.800 33.630 -0.830 17719
2150 1 6 . 1 1 58 58 VAL H H 77 7.340 7.340 7.507 -0.167 17719
2151 1 6 . 1 1 59 59 GLN N N 78 125.000 125.000 127.386 -2.386 17719
2152 1 6 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.702 -0.222 17719
2153 1 6 . 1 1 59 59 GLN C C 78 174.900 174.900 174.016 0.884 17719
2154 1 6 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.739 0.061 17719
2155 1 6 . 1 1 59 59 GLN CB C 78 32.600 32.600 33.075 -0.475 17719
2156 1 6 . 1 1 59 59 GLN H H 78 8.510 8.510 8.388 0.122 17719
2157 1 6 . 1 1 60 60 PHE N N 79 121.400 121.400 121.097 0.303 17719
2158 1 6 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.272 -0.322 17719
2159 1 6 . 1 1 60 60 PHE C C 79 173.900 173.900 174.820 -0.920 17719
2160 1 6 . 1 1 60 60 PHE CA C 79 60.300 60.300 60.016 0.284 17719
2161 1 6 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.139 0.761 17719
2162 1 6 . 1 1 60 60 PHE H H 79 9.050 9.050 8.744 0.306 17719
2163 1 6 . 1 1 61 61 LEU N N 80 128.900 128.900 128.818 0.082 17719
2164 1 6 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.287 0.233 17719
2165 1 6 . 1 1 61 61 LEU C C 80 175.700 175.700 175.160 0.540 17719
2166 1 6 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.222 0.778 17719
2167 1 6 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.809 0.591 17719
2168 1 6 . 1 1 61 61 LEU H H 80 8.270 8.270 8.552 -0.282 17719
2169 1 6 . 1 1 62 62 HIS N N 81 107.500 107.500 109.560 -2.060 17719
2170 1 6 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.405 -0.035 17719
2171 1 6 . 1 1 62 62 HIS C C 81 172.000 172.000 172.306 -0.306 17719
2172 1 6 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.577 1.523 17719
2173 1 6 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.572 -1.872 17719
2174 1 6 . 1 1 62 62 HIS H H 81 6.860 6.860 7.015 -0.155 17719
2175 1 6 . 1 1 63 63 ASP N N 82 120.900 120.900 119.121 1.779 17719
2176 1 6 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.334 0.566 17719
2177 1 6 . 1 1 63 63 ASP C C 82 178.500 178.500 176.697 1.803 17719
2178 1 6 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.249 1.351 17719
2179 1 6 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.538 0.862 17719
2180 1 6 . 1 1 63 63 ASP H H 82 9.330 9.330 8.428 0.902 17719
2181 1 6 . 1 1 64 64 GLY N N 83 114.500 114.500 107.310 7.190 17719
2182 1 6 . 1 1 64 64 GLY C C 83 170.400 170.400 173.875 -3.475 17719
2183 1 6 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.425 0.475 17719
2184 1 6 . 1 1 64 64 GLY H H 83 8.330 8.330 8.351 -0.021 17719
2185 1 6 . 1 1 65 65 SER N N 84 107.400 107.400 116.600 -9.200 17719
2186 1 6 . 1 1 65 65 SER HA H 84 4.140 4.140 4.314 -0.174 17719
2187 1 6 . 1 1 65 65 SER C C 84 176.400 176.400 175.695 0.705 17719
2188 1 6 . 1 1 65 65 SER CA C 84 58.300 58.300 58.986 -0.686 17719
2189 1 6 . 1 1 65 65 SER CB C 84 63.900 63.900 63.920 -0.020 17719
2190 1 6 . 1 1 65 65 SER H H 84 7.870 7.870 8.452 -0.582 17719
2191 1 7 . 1 1 2 2 GLU N N 21 121.800 121.800 126.689 -4.889 17719
2192 1 7 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.512 -0.122 17719
2193 1 7 . 1 1 2 2 GLU C C 21 176.100 176.100 175.495 0.605 17719
2194 1 7 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.034 0.166 17719
2195 1 7 . 1 1 2 2 GLU CB C 21 30.300 30.300 28.695 1.605 17719
2196 1 7 . 1 1 2 2 GLU H H 21 8.860 8.860 8.626 0.234 17719
2197 1 7 . 1 1 3 3 ALA N N 22 126.000 126.000 126.220 -0.220 17719
2198 1 7 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.551 -0.281 17719
2199 1 7 . 1 1 3 3 ALA C C 22 177.700 177.700 176.165 1.535 17719
2200 1 7 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.924 -0.324 17719
2201 1 7 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.311 -0.211 17719
2202 1 7 . 1 1 3 3 ALA H H 22 8.550 8.550 8.198 0.352 17719
2203 1 7 . 1 1 4 4 ALA N N 23 123.600 123.600 126.369 -2.769 17719
2204 1 7 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.446 -0.136 17719
2205 1 7 . 1 1 4 4 ALA C C 23 177.900 177.900 177.212 0.688 17719
2206 1 7 . 1 1 4 4 ALA CA C 23 52.600 52.600 53.033 -0.433 17719
2207 1 7 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.210 -0.111 17719
2208 1 7 . 1 1 4 4 ALA H H 23 8.400 8.400 8.038 0.362 17719
2209 1 7 . 1 1 5 5 SER N N 24 115.100 115.100 117.245 -2.145 17719
2210 1 7 . 1 1 5 5 SER HA H 24 4.440 4.440 4.609 -0.169 17719
2211 1 7 . 1 1 5 5 SER C C 24 174.500 174.500 175.172 -0.672 17719
2212 1 7 . 1 1 5 5 SER CA C 24 58.200 58.200 58.528 -0.328 17719
2213 1 7 . 1 1 5 5 SER CB C 24 63.800 63.800 63.505 0.295 17719
2214 1 7 . 1 1 5 5 SER H H 24 8.300 8.300 8.426 -0.126 17719
2215 1 7 . 1 1 6 6 LEU N N 25 124.200 124.200 118.415 5.785 17719
2216 1 7 . 1 1 6 6 LEU HA H 25 4.430 4.430 3.926 0.504 17719
2217 1 7 . 1 1 6 6 LEU C C 25 177.300 177.300 176.163 1.137 17719
2218 1 7 . 1 1 6 6 LEU CA C 25 55.100 55.100 57.024 -1.924 17719
2219 1 7 . 1 1 6 6 LEU CB C 25 42.400 42.400 40.560 1.840 17719
2220 1 7 . 1 1 6 6 LEU H H 25 8.320 8.320 8.121 0.199 17719
2221 1 7 . 1 1 7 7 SER N N 26 118.100 118.100 116.143 1.957 17719
2222 1 7 . 1 1 7 7 SER HA H 26 4.780 4.780 4.827 -0.047 17719
2223 1 7 . 1 1 7 7 SER C C 26 172.500 172.500 172.765 -0.265 17719
2224 1 7 . 1 1 7 7 SER CA C 26 56.400 56.400 56.425 -0.025 17719
2225 1 7 . 1 1 7 7 SER CB C 26 63.300 63.300 63.619 -0.319 17719
2226 1 7 . 1 1 7 7 SER H H 26 8.330 8.330 7.771 0.559 17719
2227 1 7 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.437 0.033 17719
2228 1 7 . 1 1 8 8 PRO C C 27 176.600 176.600 175.450 1.150 17719
2229 1 7 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.926 0.074 17719
2230 1 7 . 1 1 8 8 PRO CB C 27 32.400 32.400 30.561 1.839 17719
2231 1 7 . 1 1 9 9 LYS N N 28 122.600 122.600 124.774 -2.174 17719
2232 1 7 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.425 -0.205 17719
2233 1 7 . 1 1 9 9 LYS C C 28 175.600 175.600 174.799 0.801 17719
2234 1 7 . 1 1 9 9 LYS CA C 28 56.500 56.500 55.917 0.583 17719
2235 1 7 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.652 -0.552 17719
2236 1 7 . 1 1 9 9 LYS H H 28 8.410 8.410 8.250 0.160 17719
2237 1 7 . 1 1 10 10 LYS N N 29 123.700 123.700 123.079 0.621 17719
2238 1 7 . 1 1 10 10 LYS HA H 29 4.320 4.320 3.954 0.366 17719
2239 1 7 . 1 1 10 10 LYS C C 29 175.800 175.800 174.306 1.494 17719
2240 1 7 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.745 0.555 17719
2241 1 7 . 1 1 10 10 LYS CB C 29 33.900 33.900 35.891 -1.991 17719
2242 1 7 . 1 1 10 10 LYS H H 29 8.290 8.290 8.053 0.237 17719
2243 1 7 . 1 1 11 11 VAL N N 30 122.800 122.800 120.922 1.878 17719
2244 1 7 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.798 0.032 17719
2245 1 7 . 1 1 11 11 VAL C C 30 174.400 174.400 174.999 -0.599 17719
2246 1 7 . 1 1 11 11 VAL CA C 30 62.200 62.200 62.505 -0.305 17719
2247 1 7 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.543 0.857 17719
2248 1 7 . 1 1 11 11 VAL H H 30 8.010 8.010 8.229 -0.219 17719
2249 1 7 . 1 1 12 12 ASP N N 31 126.200 126.200 127.683 -1.483 17719
2250 1 7 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.563 0.257 17719
2251 1 7 . 1 1 12 12 ASP C C 31 176.800 176.800 175.845 0.955 17719
2252 1 7 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.709 -2.509 17719
2253 1 7 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.894 0.106 17719
2254 1 7 . 1 1 12 12 ASP H H 31 8.580 8.580 8.554 0.026 17719
2255 1 7 . 1 1 13 13 CYS N N 32 121.600 121.600 125.686 -4.086 17719
2256 1 7 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.682 0.368 17719
2257 1 7 . 1 1 13 13 CYS C C 32 176.800 176.800 176.246 0.554 17719
2258 1 7 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.571 -5.171 17719
2259 1 7 . 1 1 13 13 CYS CB C 32 33.400 33.400 26.704 6.696 17719
2260 1 7 . 1 1 13 13 CYS H H 32 9.070 9.070 8.709 0.361 17719
2261 1 7 . 1 1 14 14 SER N N 33 118.000 118.000 117.848 0.152 17719
2262 1 7 . 1 1 14 14 SER HA H 33 4.030 4.030 4.188 -0.158 17719
2263 1 7 . 1 1 14 14 SER C C 33 177.100 177.100 176.235 0.865 17719
2264 1 7 . 1 1 14 14 SER CA C 33 62.400 62.400 61.477 0.923 17719
2265 1 7 . 1 1 14 14 SER CB C 33 62.600 62.600 62.947 -0.347 17719
2266 1 7 . 1 1 14 14 SER H H 33 8.760 8.760 8.319 0.441 17719
2267 1 7 . 1 1 15 15 ILE N N 34 117.700 117.700 116.032 1.668 17719
2268 1 7 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.672 0.318 17719
2269 1 7 . 1 1 15 15 ILE C C 34 176.600 176.600 175.945 0.655 17719
2270 1 7 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.857 -0.357 17719
2271 1 7 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.523 -0.123 17719
2272 1 7 . 1 1 15 15 ILE H H 34 7.200 7.200 8.025 -0.825 17719
2273 1 7 . 1 1 16 16 TYR N N 35 118.000 118.000 116.803 1.197 17719
2274 1 7 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.758 -0.148 17719
2275 1 7 . 1 1 16 16 TYR C C 35 176.300 176.300 177.804 -1.504 17719
2276 1 7 . 1 1 16 16 TYR CA C 35 58.800 58.800 58.394 0.406 17719
2277 1 7 . 1 1 16 16 TYR CB C 35 37.600 37.600 39.126 -1.526 17719
2278 1 7 . 1 1 16 16 TYR H H 35 7.470 7.470 7.279 0.191 17719
2279 1 7 . 1 1 17 17 LYS N N 36 119.200 119.200 121.546 -2.346 17719
2280 1 7 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.170 0.060 17719
2281 1 7 . 1 1 17 17 LYS C C 36 176.300 176.300 177.194 -0.894 17719
2282 1 7 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.330 0.370 17719
2283 1 7 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.077 0.223 17719
2284 1 7 . 1 1 17 17 LYS H H 36 7.590 7.590 7.914 -0.324 17719
2285 1 7 . 1 1 18 18 LYS N N 37 115.100 115.100 116.278 -1.178 17719
2286 1 7 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.023 0.127 17719
2287 1 7 . 1 1 18 18 LYS C C 37 175.500 175.500 176.672 -1.172 17719
2288 1 7 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.465 -0.765 17719
2289 1 7 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.294 -0.594 17719
2290 1 7 . 1 1 18 18 LYS H H 37 7.410 7.410 7.436 -0.026 17719
2291 1 7 . 1 1 19 19 TYR N N 38 120.200 120.200 119.414 0.786 17719
2292 1 7 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.751 0.059 17719
2293 1 7 . 1 1 19 19 TYR C C 38 173.600 173.600 173.812 -0.212 17719
2294 1 7 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.520 1.980 17719
2295 1 7 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.139 0.061 17719
2296 1 7 . 1 1 19 19 TYR H H 38 7.390 7.390 7.584 -0.194 17719
2297 1 7 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.468 0.112 17719
2298 1 7 . 1 1 20 20 PRO C C 39 179.000 179.000 177.771 1.229 17719
2299 1 7 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.586 0.514 17719
2300 1 7 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.816 -1.116 17719
2301 1 7 . 1 1 21 21 VAL N N 40 123.200 123.200 123.044 0.156 17719
2302 1 7 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.835 0.185 17719
2303 1 7 . 1 1 21 21 VAL C C 40 176.400 176.400 176.201 0.199 17719
2304 1 7 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.043 -0.343 17719
2305 1 7 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.902 0.098 17719
2306 1 7 . 1 1 21 21 VAL H H 40 8.400 8.400 8.551 -0.151 17719
2307 1 7 . 1 1 22 22 VAL N N 41 110.600 110.600 112.792 -2.192 17719
2308 1 7 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.080 0.130 17719
2309 1 7 . 1 1 22 22 VAL C C 41 175.600 175.600 176.242 -0.642 17719
2310 1 7 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.556 -2.055 17719
2311 1 7 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.127 0.673 17719
2312 1 7 . 1 1 22 22 VAL H H 41 7.140 7.140 7.735 -0.595 17719
2313 1 7 . 1 1 23 23 ALA N N 42 126.600 126.600 124.580 2.020 17719
2314 1 7 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.606 -0.116 17719
2315 1 7 . 1 1 23 23 ALA C C 42 175.700 175.700 175.746 -0.046 17719
2316 1 7 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.277 0.123 17719
2317 1 7 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.702 -0.602 17719
2318 1 7 . 1 1 23 23 ALA H H 42 8.280 8.280 7.763 0.517 17719
2319 1 7 . 1 1 24 24 ILE N N 43 123.300 123.300 124.163 -0.863 17719
2320 1 7 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.293 -0.453 17719
2321 1 7 . 1 1 24 24 ILE C C 43 174.900 174.900 173.776 1.124 17719
2322 1 7 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.789 1.711 17719
2323 1 7 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.505 -1.505 17719
2324 1 7 . 1 1 24 24 ILE H H 43 7.970 7.970 7.880 0.090 17719
2325 1 7 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.440 0.040 17719
2326 1 7 . 1 1 25 25 PRO C C 44 175.900 175.900 175.625 0.275 17719
2327 1 7 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.310 -0.510 17719
2328 1 7 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.723 -1.323 17719
2329 1 7 . 1 1 26 26 CYS N N 45 120.500 120.500 121.652 -1.152 17719
2330 1 7 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.562 0.828 17719
2331 1 7 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.408 -6.508 17719
2332 1 7 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.396 7.004 17719
2333 1 7 . 1 1 26 26 CYS H H 45 8.290 8.290 8.367 -0.077 17719
2334 1 7 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.545 0.105 17719
2335 1 7 . 1 1 27 27 PRO C C 46 177.000 177.000 176.700 0.300 17719
2336 1 7 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.803 -0.403 17719
2337 1 7 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.373 0.527 17719
2338 1 7 . 1 1 28 28 ILE N N 47 116.600 116.600 114.611 1.989 17719
2339 1 7 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.270 0.090 17719
2340 1 7 . 1 1 28 28 ILE C C 47 176.200 176.200 175.980 0.220 17719
2341 1 7 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.858 -0.558 17719
2342 1 7 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.841 0.159 17719
2343 1 7 . 1 1 28 28 ILE H H 47 8.590 8.590 8.144 0.446 17719
2344 1 7 . 1 1 29 29 THR N N 48 114.700 114.700 117.751 -3.051 17719
2345 1 7 . 1 1 29 29 THR HA H 48 3.890 3.890 4.290 -0.400 17719
2346 1 7 . 1 1 29 29 THR C C 48 173.200 173.200 173.509 -0.309 17719
2347 1 7 . 1 1 29 29 THR CA C 48 62.600 62.600 62.569 0.031 17719
2348 1 7 . 1 1 29 29 THR CB C 48 70.000 70.000 69.341 0.659 17719
2349 1 7 . 1 1 29 29 THR H H 48 7.130 7.130 7.530 -0.400 17719
2350 1 7 . 1 1 30 30 TYR N N 49 129.100 129.100 127.984 1.116 17719
2351 1 7 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.790 0.170 17719
2352 1 7 . 1 1 30 30 TYR C C 49 173.900 173.900 174.636 -0.736 17719
2353 1 7 . 1 1 30 30 TYR CA C 49 57.600 57.600 58.000 -0.400 17719
2354 1 7 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.066 -1.066 17719
2355 1 7 . 1 1 30 30 TYR H H 49 9.020 9.020 8.603 0.417 17719
2356 1 7 . 1 1 31 31 LEU N N 50 131.700 131.700 130.419 1.281 17719
2357 1 7 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.862 -0.302 17719
2358 1 7 . 1 1 31 31 LEU C C 50 172.200 172.200 174.480 -2.280 17719
2359 1 7 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.548 1.052 17719
2360 1 7 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.019 -1.119 17719
2361 1 7 . 1 1 31 31 LEU H H 50 8.600 8.600 8.697 -0.097 17719
2362 1 7 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.712 -0.272 17719
2363 1 7 . 1 1 32 32 PRO C C 51 176.800 176.800 176.552 0.248 17719
2364 1 7 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.617 0.083 17719
2365 1 7 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.029 1.871 17719
2366 1 7 . 1 1 33 33 VAL N N 52 110.700 110.700 117.325 -6.625 17719
2367 1 7 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.534 0.186 17719
2368 1 7 . 1 1 33 33 VAL C C 52 172.600 172.600 173.837 -1.237 17719
2369 1 7 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.136 0.463 17719
2370 1 7 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.340 0.360 17719
2371 1 7 . 1 1 33 33 VAL H H 52 8.230 8.230 8.280 -0.050 17719
2372 1 7 . 1 1 34 34 CYS N N 53 122.200 122.200 122.073 0.127 17719
2373 1 7 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.210 -0.120 17719
2374 1 7 . 1 1 34 34 CYS C C 53 175.600 175.600 174.992 0.608 17719
2375 1 7 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.275 -1.775 17719
2376 1 7 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.318 10.982 17719
2377 1 7 . 1 1 34 34 CYS H H 53 8.550 8.550 8.350 0.200 17719
2378 1 7 . 1 1 35 35 GLY N N 54 115.900 115.900 113.599 2.301 17719
2379 1 7 . 1 1 35 35 GLY C C 54 174.500 174.500 175.253 -0.753 17719
2380 1 7 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.884 0.816 17719
2381 1 7 . 1 1 35 35 GLY H H 54 9.060 9.060 8.911 0.149 17719
2382 1 7 . 1 1 36 36 SER N N 55 113.400 113.400 117.011 -3.611 17719
2383 1 7 . 1 1 36 36 SER HA H 55 3.760 3.760 3.974 -0.214 17719
2384 1 7 . 1 1 36 36 SER C C 55 173.300 173.300 174.635 -1.335 17719
2385 1 7 . 1 1 36 36 SER CA C 55 60.400 60.400 61.488 -1.088 17719
2386 1 7 . 1 1 36 36 SER CB C 55 62.300 62.300 62.953 -0.653 17719
2387 1 7 . 1 1 36 36 SER H H 55 9.270 9.270 8.647 0.623 17719
2388 1 7 . 1 1 37 37 ASP N N 56 121.100 121.100 118.551 2.549 17719
2389 1 7 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.492 -0.152 17719
2390 1 7 . 1 1 37 37 ASP C C 56 175.600 175.600 175.394 0.206 17719
2391 1 7 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.640 -0.540 17719
2392 1 7 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.836 -1.236 17719
2393 1 7 . 1 1 37 37 ASP H H 56 9.150 9.150 7.903 1.247 17719
2394 1 7 . 1 1 38 38 TYR N N 57 116.100 116.100 112.405 3.695 17719
2395 1 7 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.096 -0.086 17719
2396 1 7 . 1 1 38 38 TYR C C 57 174.700 174.700 174.257 0.443 17719
2397 1 7 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.262 1.738 17719
2398 1 7 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.236 -0.936 17719
2399 1 7 . 1 1 38 38 TYR H H 57 8.630 8.630 7.729 0.901 17719
2400 1 7 . 1 1 39 39 ILE N N 58 120.700 120.700 119.974 0.726 17719
2401 1 7 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.209 -0.199 17719
2402 1 7 . 1 1 39 39 ILE C C 58 174.900 174.900 175.377 -0.477 17719
2403 1 7 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.266 0.034 17719
2404 1 7 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.632 -1.032 17719
2405 1 7 . 1 1 39 39 ILE H H 58 7.480 7.480 7.452 0.028 17719
2406 1 7 . 1 1 40 40 THR N N 59 123.700 123.700 122.885 0.815 17719
2407 1 7 . 1 1 40 40 THR HA H 59 4.670 4.670 4.689 -0.019 17719
2408 1 7 . 1 1 40 40 THR C C 59 174.800 174.800 173.755 1.045 17719
2409 1 7 . 1 1 40 40 THR CA C 59 62.700 62.700 62.162 0.538 17719
2410 1 7 . 1 1 40 40 THR CB C 59 68.900 68.900 69.239 -0.339 17719
2411 1 7 . 1 1 40 40 THR H H 59 8.090 8.090 8.322 -0.232 17719
2412 1 7 . 1 1 41 41 TYR N N 60 129.700 129.700 125.675 4.025 17719
2413 1 7 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.663 -0.253 17719
2414 1 7 . 1 1 41 41 TYR C C 60 177.200 177.200 176.828 0.372 17719
2415 1 7 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.165 1.035 17719
2416 1 7 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.488 1.312 17719
2417 1 7 . 1 1 41 41 TYR H H 60 9.550 9.550 9.086 0.464 17719
2418 1 7 . 1 1 42 42 GLY N N 61 107.800 107.800 108.280 -0.480 17719
2419 1 7 . 1 1 42 42 GLY C C 61 172.800 172.800 172.620 0.180 17719
2420 1 7 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.607 2.093 17719
2421 1 7 . 1 1 42 42 GLY H H 61 9.310 9.310 8.990 0.320 17719
2422 1 7 . 1 1 43 43 ASN N N 62 104.600 104.600 113.256 -8.656 17719
2423 1 7 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.060 -0.110 17719
2424 1 7 . 1 1 43 43 ASN C C 62 176.700 176.700 175.143 1.557 17719
2425 1 7 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.665 0.835 17719
2426 1 7 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.805 0.095 17719
2427 1 7 . 1 1 43 43 ASN H H 62 7.380 7.380 7.667 -0.287 17719
2428 1 7 . 1 1 44 44 GLU N N 63 118.300 118.300 120.167 -1.867 17719
2429 1 7 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.128 -0.238 17719
2430 1 7 . 1 1 44 44 GLU C C 63 176.100 176.100 177.213 -1.113 17719
2431 1 7 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.265 0.435 17719
2432 1 7 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.580 1.220 17719
2433 1 7 . 1 1 44 44 GLU H H 63 9.310 9.310 8.767 0.543 17719
2434 1 7 . 1 1 45 45 CYS N N 64 121.400 121.400 121.569 -0.169 17719
2435 1 7 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.513 -0.143 17719
2436 1 7 . 1 1 45 45 CYS C C 64 177.700 177.700 176.313 1.387 17719
2437 1 7 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.824 -1.724 17719
2438 1 7 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.367 10.033 17719
2439 1 7 . 1 1 45 45 CYS H H 64 8.270 8.270 8.423 -0.153 17719
2440 1 7 . 1 1 46 46 HIS N N 65 121.000 121.000 118.902 2.098 17719
2441 1 7 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.265 0.115 17719
2442 1 7 . 1 1 46 46 HIS C C 65 177.800 177.800 177.682 0.118 17719
2443 1 7 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.059 0.642 17719
2444 1 7 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.147 0.353 17719
2445 1 7 . 1 1 46 46 HIS H H 65 8.120 8.120 8.210 -0.090 17719
2446 1 7 . 1 1 47 47 LEU N N 66 122.300 122.300 121.011 1.289 17719
2447 1 7 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.308 -0.458 17719
2448 1 7 . 1 1 47 47 LEU C C 66 178.300 178.300 178.527 -0.227 17719
2449 1 7 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.681 0.819 17719
2450 1 7 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.352 -0.752 17719
2451 1 7 . 1 1 47 47 LEU H H 66 7.630 7.630 7.760 -0.130 17719
2452 1 7 . 1 1 48 48 CYS N N 67 117.500 117.500 118.283 -0.783 17719
2453 1 7 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.964 0.476 17719
2454 1 7 . 1 1 48 48 CYS C C 67 176.700 176.700 176.925 -0.225 17719
2455 1 7 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.466 -6.266 17719
2456 1 7 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.310 9.790 17719
2457 1 7 . 1 1 48 48 CYS H H 67 8.960 8.960 8.695 0.265 17719
2458 1 7 . 1 1 49 49 THR N N 68 118.000 118.000 116.933 1.067 17719
2459 1 7 . 1 1 49 49 THR HA H 68 3.800 3.800 3.938 -0.138 17719
2460 1 7 . 1 1 49 49 THR C C 68 175.400 175.400 176.877 -1.477 17719
2461 1 7 . 1 1 49 49 THR CA C 68 67.600 67.600 67.058 0.542 17719
2462 1 7 . 1 1 49 49 THR CB C 68 68.800 68.800 68.039 0.761 17719
2463 1 7 . 1 1 49 49 THR H H 68 8.330 8.330 8.199 0.131 17719
2464 1 7 . 1 1 50 50 GLU N N 69 121.300 121.300 120.992 0.308 17719
2465 1 7 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.156 0.104 17719
2466 1 7 . 1 1 50 50 GLU C C 69 180.000 180.000 179.226 0.774 17719
2467 1 7 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.771 -0.571 17719
2468 1 7 . 1 1 50 50 GLU CB C 69 28.600 28.600 28.539 0.061 17719
2469 1 7 . 1 1 50 50 GLU H H 69 7.070 7.070 7.980 -0.910 17719
2470 1 7 . 1 1 51 51 SER N N 70 117.100 117.100 116.710 0.390 17719
2471 1 7 . 1 1 51 51 SER HA H 70 4.030 4.030 4.397 -0.367 17719
2472 1 7 . 1 1 51 51 SER C C 70 177.800 177.800 176.634 1.166 17719
2473 1 7 . 1 1 51 51 SER CA C 70 62.400 62.400 61.499 0.901 17719
2474 1 7 . 1 1 51 51 SER CB C 70 64.900 64.900 62.986 1.915 17719
2475 1 7 . 1 1 51 51 SER H H 70 9.040 9.040 8.199 0.841 17719
2476 1 7 . 1 1 52 52 LEU N N 71 119.100 119.100 121.770 -2.670 17719
2477 1 7 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.072 0.128 17719
2478 1 7 . 1 1 52 52 LEU C C 71 181.400 181.400 178.817 2.583 17719
2479 1 7 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.775 0.125 17719
2480 1 7 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.903 -0.603 17719
2481 1 7 . 1 1 52 52 LEU H H 71 8.540 8.540 8.485 0.055 17719
2482 1 7 . 1 1 53 53 LYS N N 72 121.700 121.700 119.262 2.438 17719
2483 1 7 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.061 -0.021 17719
2484 1 7 . 1 1 53 53 LYS C C 72 177.600 177.600 178.365 -0.765 17719
2485 1 7 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.061 0.739 17719
2486 1 7 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.806 0.294 17719
2487 1 7 . 1 1 53 53 LYS H H 72 8.380 8.380 8.243 0.137 17719
2488 1 7 . 1 1 54 54 SER N N 73 111.300 111.300 112.316 -1.016 17719
2489 1 7 . 1 1 54 54 SER HA H 73 4.600 4.600 4.390 0.210 17719
2490 1 7 . 1 1 54 54 SER C C 73 175.300 175.300 174.816 0.484 17719
2491 1 7 . 1 1 54 54 SER CA C 73 58.300 58.300 58.570 -0.270 17719
2492 1 7 . 1 1 54 54 SER CB C 73 64.700 64.700 64.333 0.367 17719
2493 1 7 . 1 1 54 54 SER H H 73 8.150 8.150 8.077 0.073 17719
2494 1 7 . 1 1 55 55 ASN N N 74 120.000 120.000 121.195 -1.195 17719
2495 1 7 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.401 0.109 17719
2496 1 7 . 1 1 55 55 ASN C C 74 175.600 175.600 175.020 0.580 17719
2497 1 7 . 1 1 55 55 ASN CA C 74 54.500 54.500 53.974 0.526 17719
2498 1 7 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.858 0.242 17719
2499 1 7 . 1 1 55 55 ASN H H 74 8.070 8.070 7.821 0.249 17719
2500 1 7 . 1 1 56 56 GLY N N 75 103.900 103.900 107.185 -3.285 17719
2501 1 7 . 1 1 56 56 GLY C C 75 174.700 174.700 174.261 0.439 17719
2502 1 7 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.696 -0.696 17719
2503 1 7 . 1 1 56 56 GLY H H 75 8.970 8.970 8.674 0.296 17719
2504 1 7 . 1 1 57 57 ARG N N 76 122.200 122.200 120.404 1.796 17719
2505 1 7 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.216 -0.176 17719
2506 1 7 . 1 1 57 57 ARG C C 76 177.200 177.200 176.019 1.181 17719
2507 1 7 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.109 1.091 17719
2508 1 7 . 1 1 57 57 ARG CB C 76 30.400 30.400 31.116 -0.716 17719
2509 1 7 . 1 1 57 57 ARG H H 76 7.600 7.600 7.703 -0.103 17719
2510 1 7 . 1 1 58 58 VAL N N 77 117.000 117.000 119.126 -2.126 17719
2511 1 7 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.144 -0.434 17719
2512 1 7 . 1 1 58 58 VAL C C 77 174.500 174.500 173.794 0.706 17719
2513 1 7 . 1 1 58 58 VAL CA C 77 63.200 63.200 61.525 1.675 17719
2514 1 7 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.700 0.100 17719
2515 1 7 . 1 1 58 58 VAL H H 77 7.340 7.340 7.576 -0.236 17719
2516 1 7 . 1 1 59 59 GLN N N 78 125.000 125.000 127.747 -2.747 17719
2517 1 7 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.675 -0.195 17719
2518 1 7 . 1 1 59 59 GLN C C 78 174.900 174.900 174.007 0.893 17719
2519 1 7 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.761 0.039 17719
2520 1 7 . 1 1 59 59 GLN CB C 78 32.600 32.600 33.008 -0.408 17719
2521 1 7 . 1 1 59 59 GLN H H 78 8.510 8.510 8.038 0.472 17719
2522 1 7 . 1 1 60 60 PHE N N 79 121.400 121.400 121.619 -0.219 17719
2523 1 7 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.498 -0.548 17719
2524 1 7 . 1 1 60 60 PHE C C 79 173.900 173.900 175.067 -1.167 17719
2525 1 7 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.781 0.519 17719
2526 1 7 . 1 1 60 60 PHE CB C 79 39.900 39.900 38.837 1.063 17719
2527 1 7 . 1 1 60 60 PHE H H 79 9.050 9.050 8.744 0.306 17719
2528 1 7 . 1 1 61 61 LEU N N 80 128.900 128.900 129.841 -0.941 17719
2529 1 7 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.265 0.255 17719
2530 1 7 . 1 1 61 61 LEU C C 80 175.700 175.700 175.707 -0.007 17719
2531 1 7 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.661 0.339 17719
2532 1 7 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.337 1.063 17719
2533 1 7 . 1 1 61 61 LEU H H 80 8.270 8.270 8.738 -0.468 17719
2534 1 7 . 1 1 62 62 HIS N N 81 107.500 107.500 109.358 -1.858 17719
2535 1 7 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.470 -0.100 17719
2536 1 7 . 1 1 62 62 HIS C C 81 172.000 172.000 172.415 -0.415 17719
2537 1 7 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.804 1.296 17719
2538 1 7 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.038 -1.338 17719
2539 1 7 . 1 1 62 62 HIS H H 81 6.860 6.860 7.032 -0.172 17719
2540 1 7 . 1 1 63 63 ASP N N 82 120.900 120.900 120.101 0.799 17719
2541 1 7 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.357 0.543 17719
2542 1 7 . 1 1 63 63 ASP C C 82 178.500 178.500 177.038 1.462 17719
2543 1 7 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.534 0.066 17719
2544 1 7 . 1 1 63 63 ASP CB C 82 42.400 42.400 42.214 0.186 17719
2545 1 7 . 1 1 63 63 ASP H H 82 9.330 9.330 8.505 0.825 17719
2546 1 7 . 1 1 64 64 GLY N N 83 114.500 114.500 112.775 1.725 17719
2547 1 7 . 1 1 64 64 GLY C C 83 170.400 170.400 173.622 -3.222 17719
2548 1 7 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.327 0.573 17719
2549 1 7 . 1 1 64 64 GLY H H 83 8.330 8.330 8.383 -0.053 17719
2550 1 7 . 1 1 65 65 SER N N 84 107.400 107.400 116.082 -8.682 17719
2551 1 7 . 1 1 65 65 SER HA H 84 4.140 4.140 4.284 -0.144 17719
2552 1 7 . 1 1 65 65 SER C C 84 176.400 176.400 175.307 1.093 17719
2553 1 7 . 1 1 65 65 SER CA C 84 58.300 58.300 59.311 -1.011 17719
2554 1 7 . 1 1 65 65 SER CB C 84 63.900 63.900 63.837 0.062 17719
2555 1 7 . 1 1 65 65 SER H H 84 7.870 7.870 8.195 -0.325 17719
2556 1 8 . 1 1 2 2 GLU N N 21 121.800 121.800 121.547 0.253 17719
2557 1 8 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.925 -0.535 17719
2558 1 8 . 1 1 2 2 GLU C C 21 176.100 176.100 177.287 -1.187 17719
2559 1 8 . 1 1 2 2 GLU CA C 21 56.200 56.200 55.755 0.445 17719
2560 1 8 . 1 1 2 2 GLU CB C 21 30.300 30.300 31.120 -0.820 17719
2561 1 8 . 1 1 2 2 GLU H H 21 8.860 8.860 8.231 0.629 17719
2562 1 8 . 1 1 3 3 ALA N N 22 126.000 126.000 126.642 -0.642 17719
2563 1 8 . 1 1 3 3 ALA HA H 22 4.270 4.270 3.941 0.329 17719
2564 1 8 . 1 1 3 3 ALA C C 22 177.700 177.700 177.093 0.607 17719
2565 1 8 . 1 1 3 3 ALA CA C 22 52.600 52.600 53.803 -1.203 17719
2566 1 8 . 1 1 3 3 ALA CB C 22 19.100 19.100 17.607 1.493 17719
2567 1 8 . 1 1 3 3 ALA H H 22 8.550 8.550 8.984 -0.434 17719
2568 1 8 . 1 1 4 4 ALA N N 23 123.600 123.600 122.108 1.492 17719
2569 1 8 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.455 -0.145 17719
2570 1 8 . 1 1 4 4 ALA C C 23 177.900 177.900 177.215 0.685 17719
2571 1 8 . 1 1 4 4 ALA CA C 23 52.600 52.600 51.270 1.331 17719
2572 1 8 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.027 0.073 17719
2573 1 8 . 1 1 4 4 ALA H H 23 8.400 8.400 8.032 0.368 17719
2574 1 8 . 1 1 5 5 SER N N 24 115.100 115.100 118.175 -3.075 17719
2575 1 8 . 1 1 5 5 SER HA H 24 4.440 4.440 4.663 -0.223 17719
2576 1 8 . 1 1 5 5 SER C C 24 174.500 174.500 173.801 0.699 17719
2577 1 8 . 1 1 5 5 SER CA C 24 58.200 58.200 59.048 -0.848 17719
2578 1 8 . 1 1 5 5 SER CB C 24 63.800 63.800 64.196 -0.396 17719
2579 1 8 . 1 1 5 5 SER H H 24 8.300 8.300 8.754 -0.454 17719
2580 1 8 . 1 1 6 6 LEU N N 25 124.200 124.200 117.246 6.954 17719
2581 1 8 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.623 -0.193 17719
2582 1 8 . 1 1 6 6 LEU C C 25 177.300 177.300 174.930 2.370 17719
2583 1 8 . 1 1 6 6 LEU CA C 25 55.100 55.100 54.692 0.408 17719
2584 1 8 . 1 1 6 6 LEU CB C 25 42.400 42.400 43.505 -1.105 17719
2585 1 8 . 1 1 6 6 LEU H H 25 8.320 8.320 7.185 1.135 17719
2586 1 8 . 1 1 7 7 SER N N 26 118.100 118.100 117.614 0.486 17719
2587 1 8 . 1 1 7 7 SER HA H 26 4.780 4.780 4.811 -0.031 17719
2588 1 8 . 1 1 7 7 SER C C 26 172.500 172.500 172.699 -0.199 17719
2589 1 8 . 1 1 7 7 SER CA C 26 56.400 56.400 56.721 -0.321 17719
2590 1 8 . 1 1 7 7 SER CB C 26 63.300 63.300 63.095 0.205 17719
2591 1 8 . 1 1 7 7 SER H H 26 8.330 8.330 8.349 -0.019 17719
2592 1 8 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.547 -0.077 17719
2593 1 8 . 1 1 8 8 PRO C C 27 176.600 176.600 175.647 0.953 17719
2594 1 8 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.587 0.413 17719
2595 1 8 . 1 1 8 8 PRO CB C 27 32.400 32.400 31.691 0.709 17719
2596 1 8 . 1 1 9 9 LYS N N 28 122.600 122.600 125.742 -3.142 17719
2597 1 8 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.362 -0.142 17719
2598 1 8 . 1 1 9 9 LYS C C 28 175.600 175.600 174.809 0.791 17719
2599 1 8 . 1 1 9 9 LYS CA C 28 56.500 56.500 55.792 0.708 17719
2600 1 8 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.883 -0.783 17719
2601 1 8 . 1 1 9 9 LYS H H 28 8.410 8.410 8.153 0.257 17719
2602 1 8 . 1 1 10 10 LYS N N 29 123.700 123.700 123.455 0.245 17719
2603 1 8 . 1 1 10 10 LYS HA H 29 4.320 4.320 3.596 0.724 17719
2604 1 8 . 1 1 10 10 LYS C C 29 175.800 175.800 174.698 1.102 17719
2605 1 8 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.447 0.853 17719
2606 1 8 . 1 1 10 10 LYS CB C 29 33.900 33.900 35.204 -1.304 17719
2607 1 8 . 1 1 10 10 LYS H H 29 8.290 8.290 8.107 0.183 17719
2608 1 8 . 1 1 11 11 VAL N N 30 122.800 122.800 122.737 0.063 17719
2609 1 8 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.884 -0.054 17719
2610 1 8 . 1 1 11 11 VAL C C 30 174.400 174.400 175.014 -0.614 17719
2611 1 8 . 1 1 11 11 VAL CA C 30 62.200 62.200 62.796 -0.596 17719
2612 1 8 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.401 0.999 17719
2613 1 8 . 1 1 11 11 VAL H H 30 8.010 8.010 8.109 -0.099 17719
2614 1 8 . 1 1 12 12 ASP N N 31 126.200 126.200 129.646 -3.446 17719
2615 1 8 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.554 0.266 17719
2616 1 8 . 1 1 12 12 ASP C C 31 176.800 176.800 175.273 1.527 17719
2617 1 8 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.185 -1.985 17719
2618 1 8 . 1 1 12 12 ASP CB C 31 41.000 41.000 39.836 1.164 17719
2619 1 8 . 1 1 12 12 ASP H H 31 8.580 8.580 8.223 0.357 17719
2620 1 8 . 1 1 13 13 CYS N N 32 121.600 121.600 123.652 -2.052 17719
2621 1 8 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.713 0.337 17719
2622 1 8 . 1 1 13 13 CYS C C 32 176.800 176.800 175.956 0.844 17719
2623 1 8 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.966 -5.566 17719
2624 1 8 . 1 1 13 13 CYS CB C 32 33.400 33.400 28.041 5.359 17719
2625 1 8 . 1 1 13 13 CYS H H 32 9.070 9.070 8.097 0.973 17719
2626 1 8 . 1 1 14 14 SER N N 33 118.000 118.000 118.575 -0.575 17719
2627 1 8 . 1 1 14 14 SER HA H 33 4.030 4.030 4.060 -0.030 17719
2628 1 8 . 1 1 14 14 SER C C 33 177.100 177.100 175.956 1.144 17719
2629 1 8 . 1 1 14 14 SER CA C 33 62.400 62.400 61.248 1.153 17719
2630 1 8 . 1 1 14 14 SER CB C 33 62.600 62.600 62.286 0.314 17719
2631 1 8 . 1 1 14 14 SER H H 33 8.760 8.760 8.437 0.323 17719
2632 1 8 . 1 1 15 15 ILE N N 34 117.700 117.700 115.632 2.068 17719
2633 1 8 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.932 0.058 17719
2634 1 8 . 1 1 15 15 ILE C C 34 176.600 176.600 177.186 -0.586 17719
2635 1 8 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.444 0.056 17719
2636 1 8 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.757 -0.357 17719
2637 1 8 . 1 1 15 15 ILE H H 34 7.200 7.200 8.132 -0.932 17719
2638 1 8 . 1 1 16 16 TYR N N 35 118.000 118.000 119.621 -1.621 17719
2639 1 8 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.772 -0.162 17719
2640 1 8 . 1 1 16 16 TYR C C 35 176.300 176.300 177.995 -1.695 17719
2641 1 8 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.909 -1.109 17719
2642 1 8 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.113 -0.513 17719
2643 1 8 . 1 1 16 16 TYR H H 35 7.470 7.470 7.619 -0.149 17719
2644 1 8 . 1 1 17 17 LYS N N 36 119.200 119.200 118.684 0.516 17719
2645 1 8 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.127 0.103 17719
2646 1 8 . 1 1 17 17 LYS C C 36 176.300 176.300 177.204 -0.904 17719
2647 1 8 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.621 0.079 17719
2648 1 8 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.775 0.525 17719
2649 1 8 . 1 1 17 17 LYS H H 36 7.590 7.590 8.214 -0.624 17719
2650 1 8 . 1 1 18 18 LYS N N 37 115.100 115.100 115.999 -0.899 17719
2651 1 8 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.100 0.050 17719
2652 1 8 . 1 1 18 18 LYS C C 37 175.500 175.500 177.125 -1.625 17719
2653 1 8 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.492 0.208 17719
2654 1 8 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.116 -0.416 17719
2655 1 8 . 1 1 18 18 LYS H H 37 7.410 7.410 7.559 -0.149 17719
2656 1 8 . 1 1 19 19 TYR N N 38 120.200 120.200 120.413 -0.213 17719
2657 1 8 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.681 0.129 17719
2658 1 8 . 1 1 19 19 TYR C C 38 173.600 173.600 174.092 -0.492 17719
2659 1 8 . 1 1 19 19 TYR CA C 38 56.500 56.500 55.633 0.867 17719
2660 1 8 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.460 0.740 17719
2661 1 8 . 1 1 19 19 TYR H H 38 7.390 7.390 7.721 -0.331 17719
2662 1 8 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.468 0.112 17719
2663 1 8 . 1 1 20 20 PRO C C 39 179.000 179.000 178.116 0.884 17719
2664 1 8 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.915 0.185 17719
2665 1 8 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.678 -0.978 17719
2666 1 8 . 1 1 21 21 VAL N N 40 123.200 123.200 118.176 5.024 17719
2667 1 8 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.794 0.226 17719
2668 1 8 . 1 1 21 21 VAL C C 40 176.400 176.400 175.744 0.656 17719
2669 1 8 . 1 1 21 21 VAL CA C 40 64.700 64.700 64.400 0.300 17719
2670 1 8 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.768 0.232 17719
2671 1 8 . 1 1 21 21 VAL H H 40 8.400 8.400 8.267 0.133 17719
2672 1 8 . 1 1 22 22 VAL N N 41 110.600 110.600 118.411 -7.811 17719
2673 1 8 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.134 0.076 17719
2674 1 8 . 1 1 22 22 VAL C C 41 175.600 175.600 175.438 0.162 17719
2675 1 8 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.457 -0.957 17719
2676 1 8 . 1 1 22 22 VAL CB C 41 31.800 31.800 32.242 -0.443 17719
2677 1 8 . 1 1 22 22 VAL H H 41 7.140 7.140 7.567 -0.427 17719
2678 1 8 . 1 1 23 23 ALA N N 42 126.600 126.600 124.149 2.451 17719
2679 1 8 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.608 -0.118 17719
2680 1 8 . 1 1 23 23 ALA C C 42 175.700 175.700 175.895 -0.195 17719
2681 1 8 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.119 0.281 17719
2682 1 8 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.441 -0.341 17719
2683 1 8 . 1 1 23 23 ALA H H 42 8.280 8.280 7.662 0.618 17719
2684 1 8 . 1 1 24 24 ILE N N 43 123.300 123.300 124.346 -1.046 17719
2685 1 8 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.214 -0.374 17719
2686 1 8 . 1 1 24 24 ILE C C 43 174.900 174.900 173.362 1.538 17719
2687 1 8 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.817 1.683 17719
2688 1 8 . 1 1 24 24 ILE CB C 43 39.000 39.000 39.937 -0.937 17719
2689 1 8 . 1 1 24 24 ILE H H 43 7.970 7.970 8.019 -0.049 17719
2690 1 8 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.295 0.185 17719
2691 1 8 . 1 1 25 25 PRO C C 44 175.900 175.900 175.598 0.302 17719
2692 1 8 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.368 -0.568 17719
2693 1 8 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.690 -1.290 17719
2694 1 8 . 1 1 26 26 CYS N N 45 120.500 120.500 121.661 -1.161 17719
2695 1 8 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.539 0.851 17719
2696 1 8 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.267 -6.367 17719
2697 1 8 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.159 7.241 17719
2698 1 8 . 1 1 26 26 CYS H H 45 8.290 8.290 8.273 0.017 17719
2699 1 8 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.539 0.111 17719
2700 1 8 . 1 1 27 27 PRO C C 46 177.000 177.000 176.472 0.528 17719
2701 1 8 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.589 -0.189 17719
2702 1 8 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.409 0.491 17719
2703 1 8 . 1 1 28 28 ILE N N 47 116.600 116.600 114.416 2.184 17719
2704 1 8 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.221 0.139 17719
2705 1 8 . 1 1 28 28 ILE C C 47 176.200 176.200 175.740 0.460 17719
2706 1 8 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.077 0.223 17719
2707 1 8 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.332 0.668 17719
2708 1 8 . 1 1 28 28 ILE H H 47 8.590 8.590 8.156 0.434 17719
2709 1 8 . 1 1 29 29 THR N N 48 114.700 114.700 117.544 -2.844 17719
2710 1 8 . 1 1 29 29 THR HA H 48 3.890 3.890 4.348 -0.458 17719
2711 1 8 . 1 1 29 29 THR C C 48 173.200 173.200 173.337 -0.137 17719
2712 1 8 . 1 1 29 29 THR CA C 48 62.600 62.600 62.535 0.065 17719
2713 1 8 . 1 1 29 29 THR CB C 48 70.000 70.000 69.266 0.734 17719
2714 1 8 . 1 1 29 29 THR H H 48 7.130 7.130 7.566 -0.436 17719
2715 1 8 . 1 1 30 30 TYR N N 49 129.100 129.100 127.334 1.766 17719
2716 1 8 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.683 0.277 17719
2717 1 8 . 1 1 30 30 TYR C C 49 173.900 173.900 174.871 -0.971 17719
2718 1 8 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.810 -0.210 17719
2719 1 8 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.716 -1.716 17719
2720 1 8 . 1 1 30 30 TYR H H 49 9.020 9.020 8.565 0.455 17719
2721 1 8 . 1 1 31 31 LEU N N 50 131.700 131.700 129.527 2.173 17719
2722 1 8 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.867 -0.307 17719
2723 1 8 . 1 1 31 31 LEU C C 50 172.200 172.200 174.411 -2.211 17719
2724 1 8 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.782 0.818 17719
2725 1 8 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.883 -0.983 17719
2726 1 8 . 1 1 31 31 LEU H H 50 8.600 8.600 8.713 -0.113 17719
2727 1 8 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.667 -0.227 17719
2728 1 8 . 1 1 32 32 PRO C C 51 176.800 176.800 176.402 0.398 17719
2729 1 8 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.678 0.022 17719
2730 1 8 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.189 1.711 17719
2731 1 8 . 1 1 33 33 VAL N N 52 110.700 110.700 117.457 -6.757 17719
2732 1 8 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.665 0.055 17719
2733 1 8 . 1 1 33 33 VAL C C 52 172.600 172.600 173.694 -1.094 17719
2734 1 8 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.170 0.430 17719
2735 1 8 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.552 0.148 17719
2736 1 8 . 1 1 33 33 VAL H H 52 8.230 8.230 8.478 -0.248 17719
2737 1 8 . 1 1 34 34 CYS N N 53 122.200 122.200 122.083 0.117 17719
2738 1 8 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.059 0.031 17719
2739 1 8 . 1 1 34 34 CYS C C 53 175.600 175.600 174.459 1.141 17719
2740 1 8 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.591 -2.091 17719
2741 1 8 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.303 10.997 17719
2742 1 8 . 1 1 34 34 CYS H H 53 8.550 8.550 8.331 0.219 17719
2743 1 8 . 1 1 35 35 GLY N N 54 115.900 115.900 113.460 2.440 17719
2744 1 8 . 1 1 35 35 GLY C C 54 174.500 174.500 175.182 -0.682 17719
2745 1 8 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.862 0.838 17719
2746 1 8 . 1 1 35 35 GLY H H 54 9.060 9.060 8.869 0.191 17719
2747 1 8 . 1 1 36 36 SER N N 55 113.400 113.400 116.125 -2.725 17719
2748 1 8 . 1 1 36 36 SER HA H 55 3.760 3.760 4.039 -0.279 17719
2749 1 8 . 1 1 36 36 SER C C 55 173.300 173.300 174.466 -1.166 17719
2750 1 8 . 1 1 36 36 SER CA C 55 60.400 60.400 60.922 -0.522 17719
2751 1 8 . 1 1 36 36 SER CB C 55 62.300 62.300 63.218 -0.918 17719
2752 1 8 . 1 1 36 36 SER H H 55 9.270 9.270 8.645 0.625 17719
2753 1 8 . 1 1 37 37 ASP N N 56 121.100 121.100 117.833 3.267 17719
2754 1 8 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.692 -0.352 17719
2755 1 8 . 1 1 37 37 ASP C C 56 175.600 175.600 175.974 -0.374 17719
2756 1 8 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.474 -0.374 17719
2757 1 8 . 1 1 37 37 ASP CB C 56 39.600 39.600 41.280 -1.680 17719
2758 1 8 . 1 1 37 37 ASP H H 56 9.150 9.150 8.006 1.144 17719
2759 1 8 . 1 1 38 38 TYR N N 57 116.100 116.100 113.151 2.949 17719
2760 1 8 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.072 -0.062 17719
2761 1 8 . 1 1 38 38 TYR C C 57 174.700 174.700 174.073 0.627 17719
2762 1 8 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.462 1.538 17719
2763 1 8 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.732 -1.432 17719
2764 1 8 . 1 1 38 38 TYR H H 57 8.630 8.630 7.893 0.737 17719
2765 1 8 . 1 1 39 39 ILE N N 58 120.700 120.700 120.969 -0.269 17719
2766 1 8 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.193 -0.183 17719
2767 1 8 . 1 1 39 39 ILE C C 58 174.900 174.900 175.451 -0.551 17719
2768 1 8 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.738 -0.438 17719
2769 1 8 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.549 -0.949 17719
2770 1 8 . 1 1 39 39 ILE H H 58 7.480 7.480 7.461 0.019 17719
2771 1 8 . 1 1 40 40 THR N N 59 123.700 123.700 123.001 0.699 17719
2772 1 8 . 1 1 40 40 THR HA H 59 4.670 4.670 4.732 -0.062 17719
2773 1 8 . 1 1 40 40 THR C C 59 174.800 174.800 173.754 1.046 17719
2774 1 8 . 1 1 40 40 THR CA C 59 62.700 62.700 62.080 0.620 17719
2775 1 8 . 1 1 40 40 THR CB C 59 68.900 68.900 69.459 -0.559 17719
2776 1 8 . 1 1 40 40 THR H H 59 8.090 8.090 8.384 -0.294 17719
2777 1 8 . 1 1 41 41 TYR N N 60 129.700 129.700 125.138 4.562 17719
2778 1 8 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.623 -0.213 17719
2779 1 8 . 1 1 41 41 TYR C C 60 177.200 177.200 176.607 0.593 17719
2780 1 8 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.076 1.124 17719
2781 1 8 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.819 0.981 17719
2782 1 8 . 1 1 41 41 TYR H H 60 9.550 9.550 9.118 0.432 17719
2783 1 8 . 1 1 42 42 GLY N N 61 107.800 107.800 108.748 -0.948 17719
2784 1 8 . 1 1 42 42 GLY C C 61 172.800 172.800 172.471 0.329 17719
2785 1 8 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.634 2.066 17719
2786 1 8 . 1 1 42 42 GLY H H 61 9.310 9.310 8.946 0.364 17719
2787 1 8 . 1 1 43 43 ASN N N 62 104.600 104.600 112.784 -8.184 17719
2788 1 8 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.065 -0.115 17719
2789 1 8 . 1 1 43 43 ASN C C 62 176.700 176.700 175.244 1.456 17719
2790 1 8 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.598 0.902 17719
2791 1 8 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.805 0.095 17719
2792 1 8 . 1 1 43 43 ASN H H 62 7.380 7.380 7.564 -0.184 17719
2793 1 8 . 1 1 44 44 GLU N N 63 118.300 118.300 119.607 -1.307 17719
2794 1 8 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.054 -0.164 17719
2795 1 8 . 1 1 44 44 GLU C C 63 176.100 176.100 177.619 -1.519 17719
2796 1 8 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.402 0.298 17719
2797 1 8 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.720 1.080 17719
2798 1 8 . 1 1 44 44 GLU H H 63 9.310 9.310 8.763 0.547 17719
2799 1 8 . 1 1 45 45 CYS N N 64 121.400 121.400 121.152 0.248 17719
2800 1 8 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.053 0.317 17719
2801 1 8 . 1 1 45 45 CYS C C 64 177.700 177.700 176.501 1.199 17719
2802 1 8 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.958 -1.858 17719
2803 1 8 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.311 10.089 17719
2804 1 8 . 1 1 45 45 CYS H H 64 8.270 8.270 7.756 0.514 17719
2805 1 8 . 1 1 46 46 HIS N N 65 121.000 121.000 118.286 2.714 17719
2806 1 8 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.289 0.091 17719
2807 1 8 . 1 1 46 46 HIS C C 65 177.800 177.800 177.564 0.236 17719
2808 1 8 . 1 1 46 46 HIS CA C 65 59.700 59.700 58.993 0.707 17719
2809 1 8 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.233 0.267 17719
2810 1 8 . 1 1 46 46 HIS H H 65 8.120 8.120 7.689 0.431 17719
2811 1 8 . 1 1 47 47 LEU N N 66 122.300 122.300 120.893 1.407 17719
2812 1 8 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.118 -0.268 17719
2813 1 8 . 1 1 47 47 LEU C C 66 178.300 178.300 178.293 0.007 17719
2814 1 8 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.253 1.247 17719
2815 1 8 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.346 -0.746 17719
2816 1 8 . 1 1 47 47 LEU H H 66 7.630 7.630 7.449 0.181 17719
2817 1 8 . 1 1 48 48 CYS N N 67 117.500 117.500 118.929 -1.429 17719
2818 1 8 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.900 0.540 17719
2819 1 8 . 1 1 48 48 CYS C C 67 176.700 176.700 176.757 -0.057 17719
2820 1 8 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.658 -6.458 17719
2821 1 8 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.452 9.648 17719
2822 1 8 . 1 1 48 48 CYS H H 67 8.960 8.960 8.613 0.347 17719
2823 1 8 . 1 1 49 49 THR N N 68 118.000 118.000 116.584 1.416 17719
2824 1 8 . 1 1 49 49 THR HA H 68 3.800 3.800 3.846 -0.046 17719
2825 1 8 . 1 1 49 49 THR C C 68 175.400 175.400 176.715 -1.315 17719
2826 1 8 . 1 1 49 49 THR CA C 68 67.600 67.600 67.125 0.475 17719
2827 1 8 . 1 1 49 49 THR CB C 68 68.800 68.800 68.453 0.347 17719
2828 1 8 . 1 1 49 49 THR H H 68 8.330 8.330 8.402 -0.072 17719
2829 1 8 . 1 1 50 50 GLU N N 69 121.300 121.300 120.138 1.162 17719
2830 1 8 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.117 0.143 17719
2831 1 8 . 1 1 50 50 GLU C C 69 180.000 180.000 178.733 1.267 17719
2832 1 8 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.394 -0.194 17719
2833 1 8 . 1 1 50 50 GLU CB C 69 28.600 28.600 28.825 -0.225 17719
2834 1 8 . 1 1 50 50 GLU H H 69 7.070 7.070 7.645 -0.575 17719
2835 1 8 . 1 1 51 51 SER N N 70 117.100 117.100 116.525 0.575 17719
2836 1 8 . 1 1 51 51 SER HA H 70 4.030 4.030 4.274 -0.244 17719
2837 1 8 . 1 1 51 51 SER C C 70 177.800 177.800 176.634 1.166 17719
2838 1 8 . 1 1 51 51 SER CA C 70 62.400 62.400 61.572 0.828 17719
2839 1 8 . 1 1 51 51 SER CB C 70 64.900 64.900 62.969 1.931 17719
2840 1 8 . 1 1 51 51 SER H H 70 9.040 9.040 8.094 0.946 17719
2841 1 8 . 1 1 52 52 LEU N N 71 119.100 119.100 121.156 -2.056 17719
2842 1 8 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.124 0.076 17719
2843 1 8 . 1 1 52 52 LEU C C 71 181.400 181.400 178.733 2.667 17719
2844 1 8 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.571 0.329 17719
2845 1 8 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.873 -0.573 17719
2846 1 8 . 1 1 52 52 LEU H H 71 8.540 8.540 8.281 0.259 17719
2847 1 8 . 1 1 53 53 LYS N N 72 121.700 121.700 119.413 2.287 17719
2848 1 8 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.102 -0.062 17719
2849 1 8 . 1 1 53 53 LYS C C 72 177.600 177.600 178.490 -0.890 17719
2850 1 8 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.910 0.890 17719
2851 1 8 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.855 0.245 17719
2852 1 8 . 1 1 53 53 LYS H H 72 8.380 8.380 7.716 0.664 17719
2853 1 8 . 1 1 54 54 SER N N 73 111.300 111.300 112.339 -1.039 17719
2854 1 8 . 1 1 54 54 SER HA H 73 4.600 4.600 4.330 0.270 17719
2855 1 8 . 1 1 54 54 SER C C 73 175.300 175.300 174.859 0.441 17719
2856 1 8 . 1 1 54 54 SER CA C 73 58.300 58.300 59.254 -0.954 17719
2857 1 8 . 1 1 54 54 SER CB C 73 64.700 64.700 64.209 0.491 17719
2858 1 8 . 1 1 54 54 SER H H 73 8.150 8.150 8.061 0.089 17719
2859 1 8 . 1 1 55 55 ASN N N 74 120.000 120.000 121.041 -1.041 17719
2860 1 8 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.491 0.019 17719
2861 1 8 . 1 1 55 55 ASN C C 74 175.600 175.600 175.888 -0.288 17719
2862 1 8 . 1 1 55 55 ASN CA C 74 54.500 54.500 53.996 0.504 17719
2863 1 8 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.683 0.417 17719
2864 1 8 . 1 1 55 55 ASN H H 74 8.070 8.070 7.792 0.278 17719
2865 1 8 . 1 1 56 56 GLY N N 75 103.900 103.900 109.119 -5.219 17719
2866 1 8 . 1 1 56 56 GLY C C 75 174.700 174.700 173.815 0.885 17719
2867 1 8 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.563 -0.563 17719
2868 1 8 . 1 1 56 56 GLY H H 75 8.970 8.970 8.604 0.366 17719
2869 1 8 . 1 1 57 57 ARG N N 76 122.200 122.200 120.217 1.983 17719
2870 1 8 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.235 -0.195 17719
2871 1 8 . 1 1 57 57 ARG C C 76 177.200 177.200 176.508 0.692 17719
2872 1 8 . 1 1 57 57 ARG CA C 76 59.200 59.200 57.850 1.350 17719
2873 1 8 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.849 -0.449 17719
2874 1 8 . 1 1 57 57 ARG H H 76 7.600 7.600 7.777 -0.177 17719
2875 1 8 . 1 1 58 58 VAL N N 77 117.000 117.000 120.627 -3.627 17719
2876 1 8 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.264 -0.554 17719
2877 1 8 . 1 1 58 58 VAL C C 77 174.500 174.500 174.180 0.320 17719
2878 1 8 . 1 1 58 58 VAL CA C 77 63.200 63.200 61.003 2.197 17719
2879 1 8 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.247 0.553 17719
2880 1 8 . 1 1 58 58 VAL H H 77 7.340 7.340 7.447 -0.107 17719
2881 1 8 . 1 1 59 59 GLN N N 78 125.000 125.000 127.195 -2.195 17719
2882 1 8 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.633 -0.153 17719
2883 1 8 . 1 1 59 59 GLN C C 78 174.900 174.900 174.735 0.165 17719
2884 1 8 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.681 -0.881 17719
2885 1 8 . 1 1 59 59 GLN CB C 78 32.600 32.600 31.986 0.614 17719
2886 1 8 . 1 1 59 59 GLN H H 78 8.510 8.510 7.997 0.513 17719
2887 1 8 . 1 1 60 60 PHE N N 79 121.400 121.400 121.569 -0.169 17719
2888 1 8 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.388 -0.438 17719
2889 1 8 . 1 1 60 60 PHE C C 79 173.900 173.900 175.020 -1.120 17719
2890 1 8 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.361 0.938 17719
2891 1 8 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.369 0.531 17719
2892 1 8 . 1 1 60 60 PHE H H 79 9.050 9.050 8.626 0.424 17719
2893 1 8 . 1 1 61 61 LEU N N 80 128.900 128.900 129.793 -0.893 17719
2894 1 8 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.234 0.286 17719
2895 1 8 . 1 1 61 61 LEU C C 80 175.700 175.700 175.596 0.104 17719
2896 1 8 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.433 0.567 17719
2897 1 8 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.444 0.956 17719
2898 1 8 . 1 1 61 61 LEU H H 80 8.270 8.270 8.536 -0.266 17719
2899 1 8 . 1 1 62 62 HIS N N 81 107.500 107.500 109.380 -1.880 17719
2900 1 8 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.485 -0.115 17719
2901 1 8 . 1 1 62 62 HIS C C 81 172.000 172.000 172.449 -0.449 17719
2902 1 8 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.855 1.245 17719
2903 1 8 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.114 -1.414 17719
2904 1 8 . 1 1 62 62 HIS H H 81 6.860 6.860 6.972 -0.112 17719
2905 1 8 . 1 1 63 63 ASP N N 82 120.900 120.900 120.052 0.848 17719
2906 1 8 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.452 0.448 17719
2907 1 8 . 1 1 63 63 ASP C C 82 178.500 178.500 177.043 1.457 17719
2908 1 8 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.031 0.569 17719
2909 1 8 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.841 0.559 17719
2910 1 8 . 1 1 63 63 ASP H H 82 9.330 9.330 8.520 0.810 17719
2911 1 8 . 1 1 64 64 GLY N N 83 114.500 114.500 114.068 0.432 17719
2912 1 8 . 1 1 64 64 GLY C C 83 170.400 170.400 173.483 -3.083 17719
2913 1 8 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.374 0.526 17719
2914 1 8 . 1 1 64 64 GLY H H 83 8.330 8.330 8.467 -0.137 17719
2915 1 8 . 1 1 65 65 SER N N 84 107.400 107.400 116.397 -8.997 17719
2916 1 8 . 1 1 65 65 SER HA H 84 4.140 4.140 4.392 -0.252 17719
2917 1 8 . 1 1 65 65 SER C C 84 176.400 176.400 175.265 1.135 17719
2918 1 8 . 1 1 65 65 SER CA C 84 58.300 58.300 58.789 -0.490 17719
2919 1 8 . 1 1 65 65 SER CB C 84 63.900 63.900 63.985 -0.085 17719
2920 1 8 . 1 1 65 65 SER H H 84 7.870 7.870 8.143 -0.273 17719
2921 1 9 . 1 1 2 2 GLU N N 21 121.800 121.800 125.884 -4.084 17719
2922 1 9 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.633 -0.243 17719
2923 1 9 . 1 1 2 2 GLU C C 21 176.100 176.100 176.149 -0.049 17719
2924 1 9 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.497 -0.297 17719
2925 1 9 . 1 1 2 2 GLU CB C 21 30.300 30.300 27.949 2.351 17719
2926 1 9 . 1 1 2 2 GLU H H 21 8.860 8.860 8.707 0.153 17719
2927 1 9 . 1 1 3 3 ALA N N 22 126.000 126.000 123.422 2.578 17719
2928 1 9 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.437 -0.167 17719
2929 1 9 . 1 1 3 3 ALA C C 22 177.700 177.700 176.528 1.172 17719
2930 1 9 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.585 0.015 17719
2931 1 9 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.816 -0.716 17719
2932 1 9 . 1 1 3 3 ALA H H 22 8.550 8.550 8.321 0.229 17719
2933 1 9 . 1 1 4 4 ALA N N 23 123.600 123.600 120.547 3.053 17719
2934 1 9 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.636 -0.326 17719
2935 1 9 . 1 1 4 4 ALA C C 23 177.900 177.900 175.642 2.258 17719
2936 1 9 . 1 1 4 4 ALA CA C 23 52.600 52.600 51.694 0.906 17719
2937 1 9 . 1 1 4 4 ALA CB C 23 19.100 19.100 20.018 -0.918 17719
2938 1 9 . 1 1 4 4 ALA H H 23 8.400 8.400 7.511 0.889 17719
2939 1 9 . 1 1 5 5 SER N N 24 115.100 115.100 112.297 2.803 17719
2940 1 9 . 1 1 5 5 SER HA H 24 4.440 4.440 4.237 0.203 17719
2941 1 9 . 1 1 5 5 SER C C 24 174.500 174.500 173.703 0.797 17719
2942 1 9 . 1 1 5 5 SER CA C 24 58.200 58.200 58.705 -0.505 17719
2943 1 9 . 1 1 5 5 SER CB C 24 63.800 63.800 62.230 1.570 17719
2944 1 9 . 1 1 5 5 SER H H 24 8.300 8.300 8.421 -0.121 17719
2945 1 9 . 1 1 6 6 LEU N N 25 124.200 124.200 120.518 3.682 17719
2946 1 9 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.354 0.076 17719
2947 1 9 . 1 1 6 6 LEU C C 25 177.300 177.300 177.765 -0.465 17719
2948 1 9 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.683 -0.583 17719
2949 1 9 . 1 1 6 6 LEU CB C 25 42.400 42.400 42.508 -0.108 17719
2950 1 9 . 1 1 6 6 LEU H H 25 8.320 8.320 7.809 0.511 17719
2951 1 9 . 1 1 7 7 SER N N 26 118.100 118.100 117.716 0.384 17719
2952 1 9 . 1 1 7 7 SER HA H 26 4.780 4.780 4.912 -0.132 17719
2953 1 9 . 1 1 7 7 SER C C 26 172.500 172.500 173.080 -0.580 17719
2954 1 9 . 1 1 7 7 SER CA C 26 56.400 56.400 55.737 0.663 17719
2955 1 9 . 1 1 7 7 SER CB C 26 63.300 63.300 64.649 -1.349 17719
2956 1 9 . 1 1 7 7 SER H H 26 8.330 8.330 8.072 0.258 17719
2957 1 9 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.482 -0.012 17719
2958 1 9 . 1 1 8 8 PRO C C 27 176.600 176.600 175.958 0.642 17719
2959 1 9 . 1 1 8 8 PRO CA C 27 63.000 63.000 63.078 -0.078 17719
2960 1 9 . 1 1 8 8 PRO CB C 27 32.400 32.400 30.392 2.008 17719
2961 1 9 . 1 1 9 9 LYS N N 28 122.600 122.600 123.751 -1.151 17719
2962 1 9 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.505 -0.285 17719
2963 1 9 . 1 1 9 9 LYS C C 28 175.600 175.600 175.382 0.218 17719
2964 1 9 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.059 0.441 17719
2965 1 9 . 1 1 9 9 LYS CB C 28 33.100 33.100 32.429 0.671 17719
2966 1 9 . 1 1 9 9 LYS H H 28 8.410 8.410 8.277 0.133 17719
2967 1 9 . 1 1 10 10 LYS N N 29 123.700 123.700 121.877 1.823 17719
2968 1 9 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.588 -0.268 17719
2969 1 9 . 1 1 10 10 LYS C C 29 175.800 175.800 174.047 1.753 17719
2970 1 9 . 1 1 10 10 LYS CA C 29 55.300 55.300 55.048 0.252 17719
2971 1 9 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.006 -0.106 17719
2972 1 9 . 1 1 10 10 LYS H H 29 8.290 8.290 8.043 0.247 17719
2973 1 9 . 1 1 11 11 VAL N N 30 122.800 122.800 120.434 2.366 17719
2974 1 9 . 1 1 11 11 VAL HA H 30 3.830 3.830 4.182 -0.352 17719
2975 1 9 . 1 1 11 11 VAL C C 30 174.400 174.400 174.710 -0.310 17719
2976 1 9 . 1 1 11 11 VAL CA C 30 62.200 62.200 60.440 1.760 17719
2977 1 9 . 1 1 11 11 VAL CB C 30 33.400 33.400 34.380 -0.980 17719
2978 1 9 . 1 1 11 11 VAL H H 30 8.010 8.010 8.260 -0.250 17719
2979 1 9 . 1 1 12 12 ASP N N 31 126.200 126.200 125.961 0.239 17719
2980 1 9 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.531 0.289 17719
2981 1 9 . 1 1 12 12 ASP C C 31 176.800 176.800 175.927 0.873 17719
2982 1 9 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.941 -2.741 17719
2983 1 9 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.563 0.437 17719
2984 1 9 . 1 1 12 12 ASP H H 31 8.580 8.580 8.506 0.074 17719
2985 1 9 . 1 1 13 13 CYS N N 32 121.600 121.600 125.352 -3.752 17719
2986 1 9 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.663 0.387 17719
2987 1 9 . 1 1 13 13 CYS C C 32 176.800 176.800 176.033 0.767 17719
2988 1 9 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.362 -4.963 17719
2989 1 9 . 1 1 13 13 CYS CB C 32 33.400 33.400 26.828 6.572 17719
2990 1 9 . 1 1 13 13 CYS H H 32 9.070 9.070 8.661 0.409 17719
2991 1 9 . 1 1 14 14 SER N N 33 118.000 118.000 118.661 -0.661 17719
2992 1 9 . 1 1 14 14 SER HA H 33 4.030 4.030 4.168 -0.138 17719
2993 1 9 . 1 1 14 14 SER C C 33 177.100 177.100 176.001 1.099 17719
2994 1 9 . 1 1 14 14 SER CA C 33 62.400 62.400 62.152 0.248 17719
2995 1 9 . 1 1 14 14 SER CB C 33 62.600 62.600 62.903 -0.303 17719
2996 1 9 . 1 1 14 14 SER H H 33 8.760 8.760 8.614 0.146 17719
2997 1 9 . 1 1 15 15 ILE N N 34 117.700 117.700 116.811 0.889 17719
2998 1 9 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.668 0.322 17719
2999 1 9 . 1 1 15 15 ILE C C 34 176.600 176.600 176.562 0.038 17719
3000 1 9 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.219 -0.719 17719
3001 1 9 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.551 -0.151 17719
3002 1 9 . 1 1 15 15 ILE H H 34 7.200 7.200 8.303 -1.103 17719
3003 1 9 . 1 1 16 16 TYR N N 35 118.000 118.000 119.171 -1.171 17719
3004 1 9 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.699 -0.089 17719
3005 1 9 . 1 1 16 16 TYR C C 35 176.300 176.300 178.049 -1.749 17719
3006 1 9 . 1 1 16 16 TYR CA C 35 58.800 58.800 60.963 -2.163 17719
3007 1 9 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.881 -1.281 17719
3008 1 9 . 1 1 16 16 TYR H H 35 7.470 7.470 7.397 0.073 17719
3009 1 9 . 1 1 17 17 LYS N N 36 119.200 119.200 118.907 0.293 17719
3010 1 9 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.167 0.063 17719
3011 1 9 . 1 1 17 17 LYS C C 36 176.300 176.300 177.449 -1.149 17719
3012 1 9 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.656 0.044 17719
3013 1 9 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.932 0.368 17719
3014 1 9 . 1 1 17 17 LYS H H 36 7.590 7.590 8.153 -0.563 17719
3015 1 9 . 1 1 18 18 LYS N N 37 115.100 115.100 115.410 -0.310 17719
3016 1 9 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.128 0.022 17719
3017 1 9 . 1 1 18 18 LYS C C 37 175.500 175.500 176.497 -0.997 17719
3018 1 9 . 1 1 18 18 LYS CA C 37 56.700 56.700 55.893 0.807 17719
3019 1 9 . 1 1 18 18 LYS CB C 37 31.700 31.700 31.896 -0.196 17719
3020 1 9 . 1 1 18 18 LYS H H 37 7.410 7.410 7.513 -0.103 17719
3021 1 9 . 1 1 19 19 TYR N N 38 120.200 120.200 120.074 0.126 17719
3022 1 9 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.788 0.022 17719
3023 1 9 . 1 1 19 19 TYR C C 38 173.600 173.600 173.732 -0.132 17719
3024 1 9 . 1 1 19 19 TYR CA C 38 56.500 56.500 55.259 1.241 17719
3025 1 9 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.271 -0.071 17719
3026 1 9 . 1 1 19 19 TYR H H 38 7.390 7.390 7.762 -0.372 17719
3027 1 9 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.395 0.185 17719
3028 1 9 . 1 1 20 20 PRO C C 39 179.000 179.000 177.851 1.149 17719
3029 1 9 . 1 1 20 20 PRO CA C 39 63.100 63.100 63.185 -0.085 17719
3030 1 9 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.464 -0.764 17719
3031 1 9 . 1 1 21 21 VAL N N 40 123.200 123.200 123.000 0.200 17719
3032 1 9 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.764 0.256 17719
3033 1 9 . 1 1 21 21 VAL C C 40 176.400 176.400 177.475 -1.075 17719
3034 1 9 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.181 -0.482 17719
3035 1 9 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.642 0.358 17719
3036 1 9 . 1 1 21 21 VAL H H 40 8.400 8.400 8.543 -0.143 17719
3037 1 9 . 1 1 22 22 VAL N N 41 110.600 110.600 116.173 -5.573 17719
3038 1 9 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.111 0.099 17719
3039 1 9 . 1 1 22 22 VAL C C 41 175.600 175.600 175.636 -0.036 17719
3040 1 9 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.790 -1.290 17719
3041 1 9 . 1 1 22 22 VAL CB C 41 31.800 31.800 32.207 -0.407 17719
3042 1 9 . 1 1 22 22 VAL H H 41 7.140 7.140 7.670 -0.530 17719
3043 1 9 . 1 1 23 23 ALA N N 42 126.600 126.600 123.726 2.874 17719
3044 1 9 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.614 -0.124 17719
3045 1 9 . 1 1 23 23 ALA C C 42 175.700 175.700 175.905 -0.205 17719
3046 1 9 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.138 0.262 17719
3047 1 9 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.425 -0.325 17719
3048 1 9 . 1 1 23 23 ALA H H 42 8.280 8.280 7.607 0.673 17719
3049 1 9 . 1 1 24 24 ILE N N 43 123.300 123.300 124.033 -0.733 17719
3050 1 9 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.314 -0.474 17719
3051 1 9 . 1 1 24 24 ILE C C 43 174.900 174.900 173.555 1.345 17719
3052 1 9 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.796 1.704 17719
3053 1 9 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.604 -1.604 17719
3054 1 9 . 1 1 24 24 ILE H H 43 7.970 7.970 7.991 -0.021 17719
3055 1 9 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.379 0.101 17719
3056 1 9 . 1 1 25 25 PRO C C 44 175.900 175.900 175.585 0.315 17719
3057 1 9 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.433 -0.633 17719
3058 1 9 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.596 -1.196 17719
3059 1 9 . 1 1 26 26 CYS N N 45 120.500 120.500 121.943 -1.443 17719
3060 1 9 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.600 0.790 17719
3061 1 9 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.167 -6.267 17719
3062 1 9 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.599 6.801 17719
3063 1 9 . 1 1 26 26 CYS H H 45 8.290 8.290 8.287 0.003 17719
3064 1 9 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.561 0.089 17719
3065 1 9 . 1 1 27 27 PRO C C 46 177.000 177.000 176.096 0.904 17719
3066 1 9 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.923 -0.523 17719
3067 1 9 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.346 0.554 17719
3068 1 9 . 1 1 28 28 ILE N N 47 116.600 116.600 114.256 2.344 17719
3069 1 9 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.209 0.151 17719
3070 1 9 . 1 1 28 28 ILE C C 47 176.200 176.200 176.024 0.176 17719
3071 1 9 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.909 -0.609 17719
3072 1 9 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.790 0.210 17719
3073 1 9 . 1 1 28 28 ILE H H 47 8.590 8.590 8.064 0.526 17719
3074 1 9 . 1 1 29 29 THR N N 48 114.700 114.700 116.997 -2.297 17719
3075 1 9 . 1 1 29 29 THR HA H 48 3.890 3.890 4.394 -0.504 17719
3076 1 9 . 1 1 29 29 THR C C 48 173.200 173.200 173.661 -0.461 17719
3077 1 9 . 1 1 29 29 THR CA C 48 62.600 62.600 62.390 0.210 17719
3078 1 9 . 1 1 29 29 THR CB C 48 70.000 70.000 69.463 0.537 17719
3079 1 9 . 1 1 29 29 THR H H 48 7.130 7.130 7.602 -0.472 17719
3080 1 9 . 1 1 30 30 TYR N N 49 129.100 129.100 127.659 1.441 17719
3081 1 9 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.792 0.168 17719
3082 1 9 . 1 1 30 30 TYR C C 49 173.900 173.900 174.825 -0.925 17719
3083 1 9 . 1 1 30 30 TYR CA C 49 57.600 57.600 58.144 -0.544 17719
3084 1 9 . 1 1 30 30 TYR CB C 49 38.000 38.000 38.775 -0.775 17719
3085 1 9 . 1 1 30 30 TYR H H 49 9.020 9.020 8.618 0.402 17719
3086 1 9 . 1 1 31 31 LEU N N 50 131.700 131.700 130.683 1.017 17719
3087 1 9 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.796 -0.236 17719
3088 1 9 . 1 1 31 31 LEU C C 50 172.200 172.200 174.497 -2.297 17719
3089 1 9 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.253 1.347 17719
3090 1 9 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.591 -0.691 17719
3091 1 9 . 1 1 31 31 LEU H H 50 8.600 8.600 8.600 0.000 17719
3092 1 9 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.697 -0.257 17719
3093 1 9 . 1 1 32 32 PRO C C 51 176.800 176.800 176.323 0.477 17719
3094 1 9 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.455 0.245 17719
3095 1 9 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.323 1.577 17719
3096 1 9 . 1 1 33 33 VAL N N 52 110.700 110.700 118.962 -8.262 17719
3097 1 9 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.604 0.116 17719
3098 1 9 . 1 1 33 33 VAL C C 52 172.600 172.600 174.030 -1.430 17719
3099 1 9 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.829 -0.229 17719
3100 1 9 . 1 1 33 33 VAL CB C 52 35.700 35.700 34.970 0.730 17719
3101 1 9 . 1 1 33 33 VAL H H 52 8.230 8.230 8.372 -0.142 17719
3102 1 9 . 1 1 34 34 CYS N N 53 122.200 122.200 123.305 -1.105 17719
3103 1 9 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.263 -0.173 17719
3104 1 9 . 1 1 34 34 CYS C C 53 175.600 175.600 175.059 0.541 17719
3105 1 9 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.066 -1.566 17719
3106 1 9 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.257 11.043 17719
3107 1 9 . 1 1 34 34 CYS H H 53 8.550 8.550 8.544 0.006 17719
3108 1 9 . 1 1 35 35 GLY N N 54 115.900 115.900 114.004 1.896 17719
3109 1 9 . 1 1 35 35 GLY C C 54 174.500 174.500 175.087 -0.587 17719
3110 1 9 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.878 0.822 17719
3111 1 9 . 1 1 35 35 GLY H H 54 9.060 9.060 9.149 -0.089 17719
3112 1 9 . 1 1 36 36 SER N N 55 113.400 113.400 116.788 -3.388 17719
3113 1 9 . 1 1 36 36 SER HA H 55 3.760 3.760 3.897 -0.137 17719
3114 1 9 . 1 1 36 36 SER C C 55 173.300 173.300 174.520 -1.220 17719
3115 1 9 . 1 1 36 36 SER CA C 55 60.400 60.400 61.210 -0.810 17719
3116 1 9 . 1 1 36 36 SER CB C 55 62.300 62.300 63.189 -0.889 17719
3117 1 9 . 1 1 36 36 SER H H 55 9.270 9.270 8.672 0.598 17719
3118 1 9 . 1 1 37 37 ASP N N 56 121.100 121.100 119.052 2.048 17719
3119 1 9 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.491 -0.151 17719
3120 1 9 . 1 1 37 37 ASP C C 56 175.600 175.600 176.122 -0.522 17719
3121 1 9 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.717 -0.617 17719
3122 1 9 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.958 -1.358 17719
3123 1 9 . 1 1 37 37 ASP H H 56 9.150 9.150 8.198 0.952 17719
3124 1 9 . 1 1 38 38 TYR N N 57 116.100 116.100 113.628 2.472 17719
3125 1 9 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.233 -0.223 17719
3126 1 9 . 1 1 38 38 TYR C C 57 174.700 174.700 174.416 0.284 17719
3127 1 9 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.072 1.927 17719
3128 1 9 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.402 -1.102 17719
3129 1 9 . 1 1 38 38 TYR H H 57 8.630 8.630 7.607 1.023 17719
3130 1 9 . 1 1 39 39 ILE N N 58 120.700 120.700 121.516 -0.816 17719
3131 1 9 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.313 -0.303 17719
3132 1 9 . 1 1 39 39 ILE C C 58 174.900 174.900 175.480 -0.580 17719
3133 1 9 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.040 0.260 17719
3134 1 9 . 1 1 39 39 ILE CB C 58 37.600 37.600 39.605 -2.005 17719
3135 1 9 . 1 1 39 39 ILE H H 58 7.480 7.480 7.456 0.024 17719
3136 1 9 . 1 1 40 40 THR N N 59 123.700 123.700 123.573 0.127 17719
3137 1 9 . 1 1 40 40 THR HA H 59 4.670 4.670 4.730 -0.060 17719
3138 1 9 . 1 1 40 40 THR C C 59 174.800 174.800 173.831 0.969 17719
3139 1 9 . 1 1 40 40 THR CA C 59 62.700 62.700 62.705 -0.005 17719
3140 1 9 . 1 1 40 40 THR CB C 59 68.900 68.900 69.056 -0.156 17719
3141 1 9 . 1 1 40 40 THR H H 59 8.090 8.090 8.440 -0.350 17719
3142 1 9 . 1 1 41 41 TYR N N 60 129.700 129.700 126.929 2.771 17719
3143 1 9 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.620 -0.210 17719
3144 1 9 . 1 1 41 41 TYR C C 60 177.200 177.200 177.123 0.077 17719
3145 1 9 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.496 0.704 17719
3146 1 9 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.403 1.397 17719
3147 1 9 . 1 1 41 41 TYR H H 60 9.550 9.550 9.266 0.284 17719
3148 1 9 . 1 1 42 42 GLY N N 61 107.800 107.800 107.986 -0.186 17719
3149 1 9 . 1 1 42 42 GLY C C 61 172.800 172.800 172.758 0.042 17719
3150 1 9 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.647 2.053 17719
3151 1 9 . 1 1 42 42 GLY H H 61 9.310 9.310 8.974 0.336 17719
3152 1 9 . 1 1 43 43 ASN N N 62 104.600 104.600 112.638 -8.038 17719
3153 1 9 . 1 1 43 43 ASN HA H 62 4.950 4.950 4.969 -0.019 17719
3154 1 9 . 1 1 43 43 ASN C C 62 176.700 176.700 175.031 1.669 17719
3155 1 9 . 1 1 43 43 ASN CA C 62 52.500 52.500 52.068 0.432 17719
3156 1 9 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.367 0.533 17719
3157 1 9 . 1 1 43 43 ASN H H 62 7.380 7.380 7.618 -0.238 17719
3158 1 9 . 1 1 44 44 GLU N N 63 118.300 118.300 119.215 -0.915 17719
3159 1 9 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.113 -0.223 17719
3160 1 9 . 1 1 44 44 GLU C C 63 176.100 176.100 177.541 -1.441 17719
3161 1 9 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.209 0.491 17719
3162 1 9 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.740 1.060 17719
3163 1 9 . 1 1 44 44 GLU H H 63 9.310 9.310 8.746 0.564 17719
3164 1 9 . 1 1 45 45 CYS N N 64 121.400 121.400 121.029 0.371 17719
3165 1 9 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.108 0.262 17719
3166 1 9 . 1 1 45 45 CYS C C 64 177.700 177.700 176.460 1.240 17719
3167 1 9 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.754 -1.654 17719
3168 1 9 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.278 10.122 17719
3169 1 9 . 1 1 45 45 CYS H H 64 8.270 8.270 7.617 0.653 17719
3170 1 9 . 1 1 46 46 HIS N N 65 121.000 121.000 118.791 2.209 17719
3171 1 9 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.536 -0.156 17719
3172 1 9 . 1 1 46 46 HIS C C 65 177.800 177.800 177.979 -0.179 17719
3173 1 9 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.061 0.639 17719
3174 1 9 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.403 0.097 17719
3175 1 9 . 1 1 46 46 HIS H H 65 8.120 8.120 8.047 0.073 17719
3176 1 9 . 1 1 47 47 LEU N N 66 122.300 122.300 121.389 0.911 17719
3177 1 9 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.224 -0.374 17719
3178 1 9 . 1 1 47 47 LEU C C 66 178.300 178.300 177.566 0.734 17719
3179 1 9 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.230 1.270 17719
3180 1 9 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.158 -0.558 17719
3181 1 9 . 1 1 47 47 LEU H H 66 7.630 7.630 7.683 -0.053 17719
3182 1 9 . 1 1 48 48 CYS N N 67 117.500 117.500 119.301 -1.801 17719
3183 1 9 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.932 0.508 17719
3184 1 9 . 1 1 48 48 CYS C C 67 176.700 176.700 176.800 -0.100 17719
3185 1 9 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.776 -6.576 17719
3186 1 9 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.910 9.190 17719
3187 1 9 . 1 1 48 48 CYS H H 67 8.960 8.960 8.506 0.454 17719
3188 1 9 . 1 1 49 49 THR N N 68 118.000 118.000 115.604 2.396 17719
3189 1 9 . 1 1 49 49 THR HA H 68 3.800 3.800 3.837 -0.037 17719
3190 1 9 . 1 1 49 49 THR C C 68 175.400 175.400 176.515 -1.115 17719
3191 1 9 . 1 1 49 49 THR CA C 68 67.600 67.600 66.432 1.168 17719
3192 1 9 . 1 1 49 49 THR CB C 68 68.800 68.800 68.194 0.606 17719
3193 1 9 . 1 1 49 49 THR H H 68 8.330 8.330 8.339 -0.009 17719
3194 1 9 . 1 1 50 50 GLU N N 69 121.300 121.300 122.056 -0.756 17719
3195 1 9 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.059 0.201 17719
3196 1 9 . 1 1 50 50 GLU C C 69 180.000 180.000 178.718 1.282 17719
3197 1 9 . 1 1 50 50 GLU CA C 69 58.200 58.200 59.050 -0.850 17719
3198 1 9 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.170 -0.570 17719
3199 1 9 . 1 1 50 50 GLU H H 69 7.070 7.070 7.748 -0.678 17719
3200 1 9 . 1 1 51 51 SER N N 70 117.100 117.100 116.023 1.077 17719
3201 1 9 . 1 1 51 51 SER HA H 70 4.030 4.030 4.167 -0.137 17719
3202 1 9 . 1 1 51 51 SER C C 70 177.800 177.800 176.591 1.209 17719
3203 1 9 . 1 1 51 51 SER CA C 70 62.400 62.400 62.226 0.174 17719
3204 1 9 . 1 1 51 51 SER CB C 70 64.900 64.900 62.885 2.015 17719
3205 1 9 . 1 1 51 51 SER H H 70 9.040 9.040 7.989 1.051 17719
3206 1 9 . 1 1 52 52 LEU N N 71 119.100 119.100 121.321 -2.221 17719
3207 1 9 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.034 0.166 17719
3208 1 9 . 1 1 52 52 LEU C C 71 181.400 181.400 179.369 2.031 17719
3209 1 9 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.783 0.117 17719
3210 1 9 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.586 -0.286 17719
3211 1 9 . 1 1 52 52 LEU H H 71 8.540 8.540 8.289 0.251 17719
3212 1 9 . 1 1 53 53 LYS N N 72 121.700 121.700 120.975 0.725 17719
3213 1 9 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.102 -0.062 17719
3214 1 9 . 1 1 53 53 LYS C C 72 177.600 177.600 178.031 -0.431 17719
3215 1 9 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.809 0.990 17719
3216 1 9 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.348 0.752 17719
3217 1 9 . 1 1 53 53 LYS H H 72 8.380 8.380 8.531 -0.151 17719
3218 1 9 . 1 1 54 54 SER N N 73 111.300 111.300 112.782 -1.482 17719
3219 1 9 . 1 1 54 54 SER HA H 73 4.600 4.600 4.560 0.040 17719
3220 1 9 . 1 1 54 54 SER C C 73 175.300 175.300 173.286 2.014 17719
3221 1 9 . 1 1 54 54 SER CA C 73 58.300 58.300 58.688 -0.388 17719
3222 1 9 . 1 1 54 54 SER CB C 73 64.700 64.700 63.458 1.242 17719
3223 1 9 . 1 1 54 54 SER H H 73 8.150 8.150 8.133 0.017 17719
3224 1 9 . 1 1 55 55 ASN N N 74 120.000 120.000 117.300 2.700 17719
3225 1 9 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.375 0.135 17719
3226 1 9 . 1 1 55 55 ASN C C 74 175.600 175.600 175.649 -0.049 17719
3227 1 9 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.524 -0.024 17719
3228 1 9 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.450 0.650 17719
3229 1 9 . 1 1 55 55 ASN H H 74 8.070 8.070 7.648 0.422 17719
3230 1 9 . 1 1 56 56 GLY N N 75 103.900 103.900 104.472 -0.572 17719
3231 1 9 . 1 1 56 56 GLY C C 75 174.700 174.700 173.762 0.938 17719
3232 1 9 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.651 -0.651 17719
3233 1 9 . 1 1 56 56 GLY H H 75 8.970 8.970 8.775 0.195 17719
3234 1 9 . 1 1 57 57 ARG N N 76 122.200 122.200 118.681 3.519 17719
3235 1 9 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.108 -0.068 17719
3236 1 9 . 1 1 57 57 ARG C C 76 177.200 177.200 175.832 1.368 17719
3237 1 9 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.508 0.692 17719
3238 1 9 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.771 -0.371 17719
3239 1 9 . 1 1 57 57 ARG H H 76 7.600 7.600 7.506 0.094 17719
3240 1 9 . 1 1 58 58 VAL N N 77 117.000 117.000 119.132 -2.132 17719
3241 1 9 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.283 -0.573 17719
3242 1 9 . 1 1 58 58 VAL C C 77 174.500 174.500 174.157 0.343 17719
3243 1 9 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.327 2.873 17719
3244 1 9 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.941 -0.141 17719
3245 1 9 . 1 1 58 58 VAL H H 77 7.340 7.340 7.906 -0.566 17719
3246 1 9 . 1 1 59 59 GLN N N 78 125.000 125.000 127.367 -2.367 17719
3247 1 9 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.574 -0.094 17719
3248 1 9 . 1 1 59 59 GLN C C 78 174.900 174.900 174.884 0.016 17719
3249 1 9 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.715 -0.915 17719
3250 1 9 . 1 1 59 59 GLN CB C 78 32.600 32.600 31.371 1.229 17719
3251 1 9 . 1 1 59 59 GLN H H 78 8.510 8.510 8.587 -0.077 17719
3252 1 9 . 1 1 60 60 PHE N N 79 121.400 121.400 122.233 -0.833 17719
3253 1 9 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.350 -0.400 17719
3254 1 9 . 1 1 60 60 PHE C C 79 173.900 173.900 174.987 -1.087 17719
3255 1 9 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.112 1.188 17719
3256 1 9 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.428 0.472 17719
3257 1 9 . 1 1 60 60 PHE H H 79 9.050 9.050 8.663 0.387 17719
3258 1 9 . 1 1 61 61 LEU N N 80 128.900 128.900 129.548 -0.648 17719
3259 1 9 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.220 0.300 17719
3260 1 9 . 1 1 61 61 LEU C C 80 175.700 175.700 175.582 0.118 17719
3261 1 9 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.400 0.600 17719
3262 1 9 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.651 0.749 17719
3263 1 9 . 1 1 61 61 LEU H H 80 8.270 8.270 8.625 -0.355 17719
3264 1 9 . 1 1 62 62 HIS N N 81 107.500 107.500 110.893 -3.393 17719
3265 1 9 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.373 -0.003 17719
3266 1 9 . 1 1 62 62 HIS C C 81 172.000 172.000 172.502 -0.502 17719
3267 1 9 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.764 1.336 17719
3268 1 9 . 1 1 62 62 HIS CB C 81 29.700 29.700 30.903 -1.203 17719
3269 1 9 . 1 1 62 62 HIS H H 81 6.860 6.860 7.103 -0.243 17719
3270 1 9 . 1 1 63 63 ASP N N 82 120.900 120.900 120.260 0.640 17719
3271 1 9 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.599 0.301 17719
3272 1 9 . 1 1 63 63 ASP C C 82 178.500 178.500 177.075 1.425 17719
3273 1 9 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.724 -0.124 17719
3274 1 9 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.315 1.085 17719
3275 1 9 . 1 1 63 63 ASP H H 82 9.330 9.330 8.520 0.810 17719
3276 1 9 . 1 1 64 64 GLY N N 83 114.500 114.500 110.043 4.457 17719
3277 1 9 . 1 1 64 64 GLY C C 83 170.400 170.400 173.925 -3.525 17719
3278 1 9 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.414 0.486 17719
3279 1 9 . 1 1 64 64 GLY H H 83 8.330 8.330 8.058 0.272 17719
3280 1 9 . 1 1 65 65 SER N N 84 107.400 107.400 116.313 -8.913 17719
3281 1 9 . 1 1 65 65 SER HA H 84 4.140 4.140 4.278 -0.138 17719
3282 1 9 . 1 1 65 65 SER C C 84 176.400 176.400 175.587 0.813 17719
3283 1 9 . 1 1 65 65 SER CA C 84 58.300 58.300 58.993 -0.693 17719
3284 1 9 . 1 1 65 65 SER CB C 84 63.900 63.900 63.849 0.052 17719
3285 1 9 . 1 1 65 65 SER H H 84 7.870 7.870 8.417 -0.547 17719
3286 1 10 . 1 1 2 2 GLU N N 21 121.800 121.800 122.702 -0.902 17719
3287 1 10 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.321 0.069 17719
3288 1 10 . 1 1 2 2 GLU C C 21 176.100 176.100 175.671 0.429 17719
3289 1 10 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.328 -0.128 17719
3290 1 10 . 1 1 2 2 GLU CB C 21 30.300 30.300 29.821 0.479 17719
3291 1 10 . 1 1 2 2 GLU H H 21 8.860 8.860 8.682 0.178 17719
3292 1 10 . 1 1 3 3 ALA N N 22 126.000 126.000 123.243 2.757 17719
3293 1 10 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.576 -0.306 17719
3294 1 10 . 1 1 3 3 ALA C C 22 177.700 177.700 176.803 0.897 17719
3295 1 10 . 1 1 3 3 ALA CA C 22 52.600 52.600 51.581 1.019 17719
3296 1 10 . 1 1 3 3 ALA CB C 22 19.100 19.100 20.192 -1.091 17719
3297 1 10 . 1 1 3 3 ALA H H 22 8.550 8.550 7.796 0.754 17719
3298 1 10 . 1 1 4 4 ALA N N 23 123.600 123.600 125.193 -1.593 17719
3299 1 10 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.571 -0.261 17719
3300 1 10 . 1 1 4 4 ALA C C 23 177.900 177.900 177.740 0.160 17719
3301 1 10 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.068 0.532 17719
3302 1 10 . 1 1 4 4 ALA CB C 23 19.100 19.100 18.233 0.867 17719
3303 1 10 . 1 1 4 4 ALA H H 23 8.400 8.400 8.556 -0.156 17719
3304 1 10 . 1 1 5 5 SER N N 24 115.100 115.100 113.977 1.123 17719
3305 1 10 . 1 1 5 5 SER HA H 24 4.440 4.440 4.332 0.108 17719
3306 1 10 . 1 1 5 5 SER C C 24 174.500 174.500 174.908 -0.408 17719
3307 1 10 . 1 1 5 5 SER CA C 24 58.200 58.200 58.345 -0.145 17719
3308 1 10 . 1 1 5 5 SER CB C 24 63.800 63.800 63.324 0.476 17719
3309 1 10 . 1 1 5 5 SER H H 24 8.300 8.300 7.389 0.911 17719
3310 1 10 . 1 1 6 6 LEU N N 25 124.200 124.200 123.225 0.975 17719
3311 1 10 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.476 -0.046 17719
3312 1 10 . 1 1 6 6 LEU C C 25 177.300 177.300 176.617 0.683 17719
3313 1 10 . 1 1 6 6 LEU CA C 25 55.100 55.100 54.499 0.601 17719
3314 1 10 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.176 1.224 17719
3315 1 10 . 1 1 6 6 LEU H H 25 8.320 8.320 7.966 0.354 17719
3316 1 10 . 1 1 7 7 SER N N 26 118.100 118.100 120.719 -2.619 17719
3317 1 10 . 1 1 7 7 SER HA H 26 4.780 4.780 4.884 -0.104 17719
3318 1 10 . 1 1 7 7 SER C C 26 172.500 172.500 174.273 -1.773 17719
3319 1 10 . 1 1 7 7 SER CA C 26 56.400 56.400 56.148 0.252 17719
3320 1 10 . 1 1 7 7 SER CB C 26 63.300 63.300 63.886 -0.586 17719
3321 1 10 . 1 1 7 7 SER H H 26 8.330 8.330 8.201 0.129 17719
3322 1 10 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.507 -0.037 17719
3323 1 10 . 1 1 8 8 PRO C C 27 176.600 176.600 175.476 1.124 17719
3324 1 10 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.770 0.230 17719
3325 1 10 . 1 1 8 8 PRO CB C 27 32.400 32.400 30.474 1.925 17719
3326 1 10 . 1 1 9 9 LYS N N 28 122.600 122.600 122.190 0.410 17719
3327 1 10 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.334 -0.114 17719
3328 1 10 . 1 1 9 9 LYS C C 28 175.600 175.600 175.322 0.278 17719
3329 1 10 . 1 1 9 9 LYS CA C 28 56.500 56.500 55.860 0.640 17719
3330 1 10 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.955 -0.855 17719
3331 1 10 . 1 1 9 9 LYS H H 28 8.410 8.410 7.960 0.450 17719
3332 1 10 . 1 1 10 10 LYS N N 29 123.700 123.700 122.304 1.396 17719
3333 1 10 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.205 0.115 17719
3334 1 10 . 1 1 10 10 LYS C C 29 175.800 175.800 173.993 1.807 17719
3335 1 10 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.708 0.592 17719
3336 1 10 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.305 -0.405 17719
3337 1 10 . 1 1 10 10 LYS H H 29 8.290 8.290 8.017 0.273 17719
3338 1 10 . 1 1 11 11 VAL N N 30 122.800 122.800 120.030 2.770 17719
3339 1 10 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.887 -0.057 17719
3340 1 10 . 1 1 11 11 VAL C C 30 174.400 174.400 175.219 -0.819 17719
3341 1 10 . 1 1 11 11 VAL CA C 30 62.200 62.200 61.486 0.714 17719
3342 1 10 . 1 1 11 11 VAL CB C 30 33.400 33.400 33.304 0.096 17719
3343 1 10 . 1 1 11 11 VAL H H 30 8.010 8.010 8.124 -0.114 17719
3344 1 10 . 1 1 12 12 ASP N N 31 126.200 126.200 128.438 -2.238 17719
3345 1 10 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.649 0.171 17719
3346 1 10 . 1 1 12 12 ASP C C 31 176.800 176.800 175.317 1.483 17719
3347 1 10 . 1 1 12 12 ASP CA C 31 52.200 52.200 53.887 -1.687 17719
3348 1 10 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.173 0.827 17719
3349 1 10 . 1 1 12 12 ASP H H 31 8.580 8.580 8.663 -0.083 17719
3350 1 10 . 1 1 13 13 CYS N N 32 121.600 121.600 123.700 -2.100 17719
3351 1 10 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.860 0.190 17719
3352 1 10 . 1 1 13 13 CYS C C 32 176.800 176.800 176.033 0.767 17719
3353 1 10 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.445 -5.045 17719
3354 1 10 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.591 5.809 17719
3355 1 10 . 1 1 13 13 CYS H H 32 9.070 9.070 8.430 0.640 17719
3356 1 10 . 1 1 14 14 SER N N 33 118.000 118.000 117.312 0.688 17719
3357 1 10 . 1 1 14 14 SER HA H 33 4.030 4.030 4.136 -0.106 17719
3358 1 10 . 1 1 14 14 SER C C 33 177.100 177.100 176.051 1.049 17719
3359 1 10 . 1 1 14 14 SER CA C 33 62.400 62.400 61.249 1.151 17719
3360 1 10 . 1 1 14 14 SER CB C 33 62.600 62.600 63.119 -0.519 17719
3361 1 10 . 1 1 14 14 SER H H 33 8.760 8.760 7.685 1.075 17719
3362 1 10 . 1 1 15 15 ILE N N 34 117.700 117.700 116.928 0.772 17719
3363 1 10 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.703 0.287 17719
3364 1 10 . 1 1 15 15 ILE C C 34 176.600 176.600 176.715 -0.115 17719
3365 1 10 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.264 -0.764 17719
3366 1 10 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.687 -0.287 17719
3367 1 10 . 1 1 15 15 ILE H H 34 7.200 7.200 8.514 -1.315 17719
3368 1 10 . 1 1 16 16 TYR N N 35 118.000 118.000 118.070 -0.070 17719
3369 1 10 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.692 -0.082 17719
3370 1 10 . 1 1 16 16 TYR C C 35 176.300 176.300 177.520 -1.220 17719
3371 1 10 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.094 -0.294 17719
3372 1 10 . 1 1 16 16 TYR CB C 35 37.600 37.600 37.791 -0.191 17719
3373 1 10 . 1 1 16 16 TYR H H 35 7.470 7.470 7.849 -0.379 17719
3374 1 10 . 1 1 17 17 LYS N N 36 119.200 119.200 118.520 0.680 17719
3375 1 10 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.162 0.068 17719
3376 1 10 . 1 1 17 17 LYS C C 36 176.300 176.300 177.013 -0.713 17719
3377 1 10 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.205 0.495 17719
3378 1 10 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.729 0.571 17719
3379 1 10 . 1 1 17 17 LYS H H 36 7.590 7.590 7.335 0.255 17719
3380 1 10 . 1 1 18 18 LYS N N 37 115.100 115.100 116.362 -1.262 17719
3381 1 10 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.068 0.082 17719
3382 1 10 . 1 1 18 18 LYS C C 37 175.500 175.500 176.554 -1.054 17719
3383 1 10 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.051 -0.351 17719
3384 1 10 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.223 -0.523 17719
3385 1 10 . 1 1 18 18 LYS H H 37 7.410 7.410 7.417 -0.007 17719
3386 1 10 . 1 1 19 19 TYR N N 38 120.200 120.200 119.520 0.680 17719
3387 1 10 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.783 0.027 17719
3388 1 10 . 1 1 19 19 TYR C C 38 173.600 173.600 173.649 -0.049 17719
3389 1 10 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.663 1.837 17719
3390 1 10 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.910 0.290 17719
3391 1 10 . 1 1 19 19 TYR H H 38 7.390 7.390 7.547 -0.157 17719
3392 1 10 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.490 0.090 17719
3393 1 10 . 1 1 20 20 PRO C C 39 179.000 179.000 177.245 1.755 17719
3394 1 10 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.715 0.385 17719
3395 1 10 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.728 -1.028 17719
3396 1 10 . 1 1 21 21 VAL N N 40 123.200 123.200 121.201 1.999 17719
3397 1 10 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.846 0.174 17719
3398 1 10 . 1 1 21 21 VAL C C 40 176.400 176.400 176.906 -0.506 17719
3399 1 10 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.239 -0.539 17719
3400 1 10 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.141 0.859 17719
3401 1 10 . 1 1 21 21 VAL H H 40 8.400 8.400 8.478 -0.078 17719
3402 1 10 . 1 1 22 22 VAL N N 41 110.600 110.600 112.359 -1.759 17719
3403 1 10 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.162 0.048 17719
3404 1 10 . 1 1 22 22 VAL C C 41 175.600 175.600 175.931 -0.331 17719
3405 1 10 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.354 -1.854 17719
3406 1 10 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.355 0.445 17719
3407 1 10 . 1 1 22 22 VAL H H 41 7.140 7.140 7.795 -0.655 17719
3408 1 10 . 1 1 23 23 ALA N N 42 126.600 126.600 124.471 2.129 17719
3409 1 10 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.599 -0.109 17719
3410 1 10 . 1 1 23 23 ALA C C 42 175.700 175.700 175.738 -0.038 17719
3411 1 10 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.191 0.209 17719
3412 1 10 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.527 -0.427 17719
3413 1 10 . 1 1 23 23 ALA H H 42 8.280 8.280 7.449 0.831 17719
3414 1 10 . 1 1 24 24 ILE N N 43 123.300 123.300 124.168 -0.868 17719
3415 1 10 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.257 -0.417 17719
3416 1 10 . 1 1 24 24 ILE C C 43 174.900 174.900 173.534 1.366 17719
3417 1 10 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.788 1.712 17719
3418 1 10 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.479 -1.479 17719
3419 1 10 . 1 1 24 24 ILE H H 43 7.970 7.970 7.955 0.014 17719
3420 1 10 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.428 0.052 17719
3421 1 10 . 1 1 25 25 PRO C C 44 175.900 175.900 175.563 0.337 17719
3422 1 10 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.261 -0.461 17719
3423 1 10 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.669 -1.270 17719
3424 1 10 . 1 1 26 26 CYS N N 45 120.500 120.500 121.755 -1.255 17719
3425 1 10 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.541 0.849 17719
3426 1 10 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.205 -6.305 17719
3427 1 10 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.813 6.587 17719
3428 1 10 . 1 1 26 26 CYS H H 45 8.290 8.290 8.265 0.025 17719
3429 1 10 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.596 0.054 17719
3430 1 10 . 1 1 27 27 PRO C C 46 177.000 177.000 176.167 0.833 17719
3431 1 10 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.581 -0.181 17719
3432 1 10 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.505 0.395 17719
3433 1 10 . 1 1 28 28 ILE N N 47 116.600 116.600 113.617 2.983 17719
3434 1 10 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.188 0.172 17719
3435 1 10 . 1 1 28 28 ILE C C 47 176.200 176.200 175.874 0.326 17719
3436 1 10 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.815 -0.515 17719
3437 1 10 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.583 0.417 17719
3438 1 10 . 1 1 28 28 ILE H H 47 8.590 8.590 8.077 0.513 17719
3439 1 10 . 1 1 29 29 THR N N 48 114.700 114.700 117.148 -2.448 17719
3440 1 10 . 1 1 29 29 THR HA H 48 3.890 3.890 4.283 -0.393 17719
3441 1 10 . 1 1 29 29 THR C C 48 173.200 173.200 173.773 -0.573 17719
3442 1 10 . 1 1 29 29 THR CA C 48 62.600 62.600 63.091 -0.491 17719
3443 1 10 . 1 1 29 29 THR CB C 48 70.000 70.000 69.215 0.785 17719
3444 1 10 . 1 1 29 29 THR H H 48 7.130 7.130 7.599 -0.469 17719
3445 1 10 . 1 1 30 30 TYR N N 49 129.100 129.100 127.874 1.226 17719
3446 1 10 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.967 -0.007 17719
3447 1 10 . 1 1 30 30 TYR C C 49 173.900 173.900 174.574 -0.674 17719
3448 1 10 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.336 0.264 17719
3449 1 10 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.219 -1.219 17719
3450 1 10 . 1 1 30 30 TYR H H 49 9.020 9.020 8.520 0.500 17719
3451 1 10 . 1 1 31 31 LEU N N 50 131.700 131.700 130.501 1.199 17719
3452 1 10 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.736 -0.176 17719
3453 1 10 . 1 1 31 31 LEU C C 50 172.200 172.200 174.417 -2.217 17719
3454 1 10 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.266 1.334 17719
3455 1 10 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.728 -0.828 17719
3456 1 10 . 1 1 31 31 LEU H H 50 8.600 8.600 8.573 0.027 17719
3457 1 10 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.549 -0.109 17719
3458 1 10 . 1 1 32 32 PRO C C 51 176.800 176.800 176.574 0.226 17719
3459 1 10 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.526 0.173 17719
3460 1 10 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.085 1.815 17719
3461 1 10 . 1 1 33 33 VAL N N 52 110.700 110.700 117.380 -6.680 17719
3462 1 10 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.692 0.028 17719
3463 1 10 . 1 1 33 33 VAL C C 52 172.600 172.600 173.637 -1.037 17719
3464 1 10 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.395 0.205 17719
3465 1 10 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.571 0.129 17719
3466 1 10 . 1 1 33 33 VAL H H 52 8.230 8.230 8.446 -0.216 17719
3467 1 10 . 1 1 34 34 CYS N N 53 122.200 122.200 122.157 0.043 17719
3468 1 10 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.255 -0.165 17719
3469 1 10 . 1 1 34 34 CYS C C 53 175.600 175.600 174.938 0.662 17719
3470 1 10 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.235 -1.735 17719
3471 1 10 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.788 10.512 17719
3472 1 10 . 1 1 34 34 CYS H H 53 8.550 8.550 8.591 -0.041 17719
3473 1 10 . 1 1 35 35 GLY N N 54 115.900 115.900 113.210 2.690 17719
3474 1 10 . 1 1 35 35 GLY C C 54 174.500 174.500 174.971 -0.471 17719
3475 1 10 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.883 0.817 17719
3476 1 10 . 1 1 35 35 GLY H H 54 9.060 9.060 8.807 0.253 17719
3477 1 10 . 1 1 36 36 SER N N 55 113.400 113.400 115.483 -2.083 17719
3478 1 10 . 1 1 36 36 SER HA H 55 3.760 3.760 3.915 -0.155 17719
3479 1 10 . 1 1 36 36 SER C C 55 173.300 173.300 174.943 -1.643 17719
3480 1 10 . 1 1 36 36 SER CA C 55 60.400 60.400 60.847 -0.447 17719
3481 1 10 . 1 1 36 36 SER CB C 55 62.300 62.300 63.188 -0.888 17719
3482 1 10 . 1 1 36 36 SER H H 55 9.270 9.270 8.716 0.554 17719
3483 1 10 . 1 1 37 37 ASP N N 56 121.100 121.100 120.494 0.606 17719
3484 1 10 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.573 -0.233 17719
3485 1 10 . 1 1 37 37 ASP C C 56 175.600 175.600 175.745 -0.145 17719
3486 1 10 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.845 -0.745 17719
3487 1 10 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.738 -1.138 17719
3488 1 10 . 1 1 37 37 ASP H H 56 9.150 9.150 8.178 0.972 17719
3489 1 10 . 1 1 38 38 TYR N N 57 116.100 116.100 114.450 1.650 17719
3490 1 10 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.177 -0.167 17719
3491 1 10 . 1 1 38 38 TYR C C 57 174.700 174.700 174.334 0.366 17719
3492 1 10 . 1 1 38 38 TYR CA C 57 61.000 61.000 58.820 2.180 17719
3493 1 10 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.363 -1.063 17719
3494 1 10 . 1 1 38 38 TYR H H 57 8.630 8.630 7.552 1.078 17719
3495 1 10 . 1 1 39 39 ILE N N 58 120.700 120.700 121.028 -0.328 17719
3496 1 10 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.227 -0.217 17719
3497 1 10 . 1 1 39 39 ILE C C 58 174.900 174.900 175.397 -0.497 17719
3498 1 10 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.185 0.115 17719
3499 1 10 . 1 1 39 39 ILE CB C 58 37.600 37.600 39.223 -1.623 17719
3500 1 10 . 1 1 39 39 ILE H H 58 7.480 7.480 7.393 0.087 17719
3501 1 10 . 1 1 40 40 THR N N 59 123.700 123.700 123.284 0.416 17719
3502 1 10 . 1 1 40 40 THR HA H 59 4.670 4.670 4.594 0.076 17719
3503 1 10 . 1 1 40 40 THR C C 59 174.800 174.800 173.777 1.023 17719
3504 1 10 . 1 1 40 40 THR CA C 59 62.700 62.700 62.484 0.216 17719
3505 1 10 . 1 1 40 40 THR CB C 59 68.900 68.900 69.079 -0.179 17719
3506 1 10 . 1 1 40 40 THR H H 59 8.090 8.090 8.389 -0.299 17719
3507 1 10 . 1 1 41 41 TYR N N 60 129.700 129.700 126.055 3.645 17719
3508 1 10 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.693 -0.283 17719
3509 1 10 . 1 1 41 41 TYR C C 60 177.200 177.200 176.766 0.434 17719
3510 1 10 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.222 0.978 17719
3511 1 10 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.425 1.375 17719
3512 1 10 . 1 1 41 41 TYR H H 60 9.550 9.550 9.146 0.404 17719
3513 1 10 . 1 1 42 42 GLY N N 61 107.800 107.800 108.436 -0.636 17719
3514 1 10 . 1 1 42 42 GLY C C 61 172.800 172.800 172.697 0.103 17719
3515 1 10 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.785 1.915 17719
3516 1 10 . 1 1 42 42 GLY H H 61 9.310 9.310 9.121 0.189 17719
3517 1 10 . 1 1 43 43 ASN N N 62 104.600 104.600 113.083 -8.483 17719
3518 1 10 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.072 -0.122 17719
3519 1 10 . 1 1 43 43 ASN C C 62 176.700 176.700 174.991 1.709 17719
3520 1 10 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.982 0.518 17719
3521 1 10 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.777 0.123 17719
3522 1 10 . 1 1 43 43 ASN H H 62 7.380 7.380 7.787 -0.407 17719
3523 1 10 . 1 1 44 44 GLU N N 63 118.300 118.300 119.952 -1.652 17719
3524 1 10 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.108 -0.218 17719
3525 1 10 . 1 1 44 44 GLU C C 63 176.100 176.100 177.494 -1.394 17719
3526 1 10 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.364 0.336 17719
3527 1 10 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.612 1.188 17719
3528 1 10 . 1 1 44 44 GLU H H 63 9.310 9.310 8.742 0.568 17719
3529 1 10 . 1 1 45 45 CYS N N 64 121.400 121.400 120.797 0.603 17719
3530 1 10 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.469 -0.099 17719
3531 1 10 . 1 1 45 45 CYS C C 64 177.700 177.700 176.360 1.340 17719
3532 1 10 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.593 -1.493 17719
3533 1 10 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.507 9.893 17719
3534 1 10 . 1 1 45 45 CYS H H 64 8.270 8.270 8.177 0.093 17719
3535 1 10 . 1 1 46 46 HIS N N 65 121.000 121.000 118.762 2.238 17719
3536 1 10 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.315 0.065 17719
3537 1 10 . 1 1 46 46 HIS C C 65 177.800 177.800 177.780 0.020 17719
3538 1 10 . 1 1 46 46 HIS CA C 65 59.700 59.700 58.623 1.077 17719
3539 1 10 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.091 0.409 17719
3540 1 10 . 1 1 46 46 HIS H H 65 8.120 8.120 8.457 -0.337 17719
3541 1 10 . 1 1 47 47 LEU N N 66 122.300 122.300 121.091 1.209 17719
3542 1 10 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.191 -0.341 17719
3543 1 10 . 1 1 47 47 LEU C C 66 178.300 178.300 178.396 -0.096 17719
3544 1 10 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.711 0.789 17719
3545 1 10 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.349 -0.750 17719
3546 1 10 . 1 1 47 47 LEU H H 66 7.630 7.630 7.786 -0.156 17719
3547 1 10 . 1 1 48 48 CYS N N 67 117.500 117.500 118.271 -0.771 17719
3548 1 10 . 1 1 48 48 CYS HA H 67 4.440 4.440 4.055 0.385 17719
3549 1 10 . 1 1 48 48 CYS C C 67 176.700 176.700 177.040 -0.340 17719
3550 1 10 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.224 -5.024 17719
3551 1 10 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.010 10.090 17719
3552 1 10 . 1 1 48 48 CYS H H 67 8.960 8.960 8.198 0.762 17719
3553 1 10 . 1 1 49 49 THR N N 68 118.000 118.000 117.810 0.190 17719
3554 1 10 . 1 1 49 49 THR HA H 68 3.800 3.800 3.848 -0.048 17719
3555 1 10 . 1 1 49 49 THR C C 68 175.400 175.400 176.681 -1.281 17719
3556 1 10 . 1 1 49 49 THR CA C 68 67.600 67.600 67.165 0.435 17719
3557 1 10 . 1 1 49 49 THR CB C 68 68.800 68.800 68.476 0.324 17719
3558 1 10 . 1 1 49 49 THR H H 68 8.330 8.330 8.188 0.142 17719
3559 1 10 . 1 1 50 50 GLU N N 69 121.300 121.300 120.814 0.486 17719
3560 1 10 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.152 0.108 17719
3561 1 10 . 1 1 50 50 GLU C C 69 180.000 180.000 179.153 0.847 17719
3562 1 10 . 1 1 50 50 GLU CA C 69 58.200 58.200 59.075 -0.875 17719
3563 1 10 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.085 -0.485 17719
3564 1 10 . 1 1 50 50 GLU H H 69 7.070 7.070 7.652 -0.582 17719
3565 1 10 . 1 1 51 51 SER N N 70 117.100 117.100 117.086 0.014 17719
3566 1 10 . 1 1 51 51 SER HA H 70 4.030 4.030 4.363 -0.333 17719
3567 1 10 . 1 1 51 51 SER C C 70 177.800 177.800 176.710 1.090 17719
3568 1 10 . 1 1 51 51 SER CA C 70 62.400 62.400 61.702 0.698 17719
3569 1 10 . 1 1 51 51 SER CB C 70 64.900 64.900 62.992 1.907 17719
3570 1 10 . 1 1 51 51 SER H H 70 9.040 9.040 8.224 0.816 17719
3571 1 10 . 1 1 52 52 LEU N N 71 119.100 119.100 120.867 -1.767 17719
3572 1 10 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.090 0.110 17719
3573 1 10 . 1 1 52 52 LEU C C 71 181.400 181.400 178.892 2.508 17719
3574 1 10 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.630 0.270 17719
3575 1 10 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.862 -0.562 17719
3576 1 10 . 1 1 52 52 LEU H H 71 8.540 8.540 8.404 0.136 17719
3577 1 10 . 1 1 53 53 LYS N N 72 121.700 121.700 119.237 2.463 17719
3578 1 10 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.106 -0.066 17719
3579 1 10 . 1 1 53 53 LYS C C 72 177.600 177.600 178.141 -0.541 17719
3580 1 10 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.850 0.950 17719
3581 1 10 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.768 0.332 17719
3582 1 10 . 1 1 53 53 LYS H H 72 8.380 8.380 7.916 0.464 17719
3583 1 10 . 1 1 54 54 SER N N 73 111.300 111.300 112.456 -1.156 17719
3584 1 10 . 1 1 54 54 SER HA H 73 4.600 4.600 4.453 0.147 17719
3585 1 10 . 1 1 54 54 SER C C 73 175.300 175.300 174.338 0.962 17719
3586 1 10 . 1 1 54 54 SER CA C 73 58.300 58.300 58.153 0.147 17719
3587 1 10 . 1 1 54 54 SER CB C 73 64.700 64.700 64.309 0.391 17719
3588 1 10 . 1 1 54 54 SER H H 73 8.150 8.150 8.120 0.030 17719
3589 1 10 . 1 1 55 55 ASN N N 74 120.000 120.000 120.807 -0.807 17719
3590 1 10 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.387 0.123 17719
3591 1 10 . 1 1 55 55 ASN C C 74 175.600 175.600 175.312 0.288 17719
3592 1 10 . 1 1 55 55 ASN CA C 74 54.500 54.500 53.742 0.758 17719
3593 1 10 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.879 0.221 17719
3594 1 10 . 1 1 55 55 ASN H H 74 8.070 8.070 7.459 0.611 17719
3595 1 10 . 1 1 56 56 GLY N N 75 103.900 103.900 106.558 -2.658 17719
3596 1 10 . 1 1 56 56 GLY C C 75 174.700 174.700 173.783 0.917 17719
3597 1 10 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.716 -0.716 17719
3598 1 10 . 1 1 56 56 GLY H H 75 8.970 8.970 8.836 0.134 17719
3599 1 10 . 1 1 57 57 ARG N N 76 122.200 122.200 119.800 2.400 17719
3600 1 10 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.118 -0.078 17719
3601 1 10 . 1 1 57 57 ARG C C 76 177.200 177.200 175.993 1.207 17719
3602 1 10 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.435 0.765 17719
3603 1 10 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.910 -0.510 17719
3604 1 10 . 1 1 57 57 ARG H H 76 7.600 7.600 7.788 -0.188 17719
3605 1 10 . 1 1 58 58 VAL N N 77 117.000 117.000 119.138 -2.138 17719
3606 1 10 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.807 -1.097 17719
3607 1 10 . 1 1 58 58 VAL C C 77 174.500 174.500 174.091 0.409 17719
3608 1 10 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.395 2.805 17719
3609 1 10 . 1 1 58 58 VAL CB C 77 32.800 32.800 33.020 -0.220 17719
3610 1 10 . 1 1 58 58 VAL H H 77 7.340 7.340 7.413 -0.073 17719
3611 1 10 . 1 1 59 59 GLN N N 78 125.000 125.000 127.493 -2.493 17719
3612 1 10 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.718 -0.238 17719
3613 1 10 . 1 1 59 59 GLN C C 78 174.900 174.900 173.737 1.163 17719
3614 1 10 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.017 -0.218 17719
3615 1 10 . 1 1 59 59 GLN CB C 78 32.600 32.600 33.150 -0.550 17719
3616 1 10 . 1 1 59 59 GLN H H 78 8.510 8.510 8.918 -0.407 17719
3617 1 10 . 1 1 60 60 PHE N N 79 121.400 121.400 122.120 -0.720 17719
3618 1 10 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.319 -0.369 17719
3619 1 10 . 1 1 60 60 PHE C C 79 173.900 173.900 174.986 -1.086 17719
3620 1 10 . 1 1 60 60 PHE CA C 79 60.300 60.300 60.178 0.122 17719
3621 1 10 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.268 0.632 17719
3622 1 10 . 1 1 60 60 PHE H H 79 9.050 9.050 8.740 0.310 17719
3623 1 10 . 1 1 61 61 LEU N N 80 128.900 128.900 128.344 0.556 17719
3624 1 10 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.460 0.060 17719
3625 1 10 . 1 1 61 61 LEU C C 80 175.700 175.700 174.647 1.053 17719
3626 1 10 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.613 0.387 17719
3627 1 10 . 1 1 61 61 LEU CB C 80 44.400 44.400 44.042 0.358 17719
3628 1 10 . 1 1 61 61 LEU H H 80 8.270 8.270 8.583 -0.313 17719
3629 1 10 . 1 1 62 62 HIS N N 81 107.500 107.500 110.898 -3.398 17719
3630 1 10 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.369 0.001 17719
3631 1 10 . 1 1 62 62 HIS C C 81 172.000 172.000 172.492 -0.492 17719
3632 1 10 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.184 1.916 17719
3633 1 10 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.653 -1.953 17719
3634 1 10 . 1 1 62 62 HIS H H 81 6.860 6.860 6.872 -0.012 17719
3635 1 10 . 1 1 63 63 ASP N N 82 120.900 120.900 121.538 -0.638 17719
3636 1 10 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.491 0.409 17719
3637 1 10 . 1 1 63 63 ASP C C 82 178.500 178.500 176.759 1.741 17719
3638 1 10 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.342 0.258 17719
3639 1 10 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.920 0.480 17719
3640 1 10 . 1 1 63 63 ASP H H 82 9.330 9.330 8.570 0.760 17719
3641 1 10 . 1 1 64 64 GLY N N 83 114.500 114.500 113.254 1.246 17719
3642 1 10 . 1 1 64 64 GLY C C 83 170.400 170.400 173.610 -3.210 17719
3643 1 10 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.388 0.512 17719
3644 1 10 . 1 1 64 64 GLY H H 83 8.330 8.330 8.495 -0.165 17719
3645 1 10 . 1 1 65 65 SER N N 84 107.400 107.400 116.288 -8.888 17719
3646 1 10 . 1 1 65 65 SER HA H 84 4.140 4.140 4.358 -0.218 17719
3647 1 10 . 1 1 65 65 SER C C 84 176.400 176.400 175.296 1.104 17719
3648 1 10 . 1 1 65 65 SER CA C 84 58.300 58.300 58.840 -0.540 17719
3649 1 10 . 1 1 65 65 SER CB C 84 63.900 63.900 63.970 -0.070 17719
3650 1 10 . 1 1 65 65 SER H H 84 7.870 7.870 8.176 -0.306 17719
3651 1 11 . 1 1 2 2 GLU N N 21 121.800 121.800 123.976 -2.176 17719
3652 1 11 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.485 -0.095 17719
3653 1 11 . 1 1 2 2 GLU C C 21 176.100 176.100 175.228 0.872 17719
3654 1 11 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.420 -0.220 17719
3655 1 11 . 1 1 2 2 GLU CB C 21 30.300 30.300 28.965 1.335 17719
3656 1 11 . 1 1 2 2 GLU H H 21 8.860 8.860 8.431 0.429 17719
3657 1 11 . 1 1 3 3 ALA N N 22 126.000 126.000 124.433 1.567 17719
3658 1 11 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.456 -0.186 17719
3659 1 11 . 1 1 3 3 ALA C C 22 177.700 177.700 177.031 0.669 17719
3660 1 11 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.533 0.067 17719
3661 1 11 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.113 -0.013 17719
3662 1 11 . 1 1 3 3 ALA H H 22 8.550 8.550 8.578 -0.028 17719
3663 1 11 . 1 1 4 4 ALA N N 23 123.600 123.600 122.740 0.860 17719
3664 1 11 . 1 1 4 4 ALA HA H 23 4.310 4.310 3.984 0.326 17719
3665 1 11 . 1 1 4 4 ALA C C 23 177.900 177.900 177.239 0.661 17719
3666 1 11 . 1 1 4 4 ALA CA C 23 52.600 52.600 53.687 -1.087 17719
3667 1 11 . 1 1 4 4 ALA CB C 23 19.100 19.100 17.819 1.281 17719
3668 1 11 . 1 1 4 4 ALA H H 23 8.400 8.400 8.649 -0.249 17719
3669 1 11 . 1 1 5 5 SER N N 24 115.100 115.100 113.369 1.731 17719
3670 1 11 . 1 1 5 5 SER HA H 24 4.440 4.440 4.654 -0.214 17719
3671 1 11 . 1 1 5 5 SER C C 24 174.500 174.500 173.120 1.380 17719
3672 1 11 . 1 1 5 5 SER CA C 24 58.200 58.200 57.807 0.393 17719
3673 1 11 . 1 1 5 5 SER CB C 24 63.800 63.800 65.366 -1.566 17719
3674 1 11 . 1 1 5 5 SER H H 24 8.300 8.300 8.226 0.074 17719
3675 1 11 . 1 1 6 6 LEU N N 25 124.200 124.200 120.526 3.674 17719
3676 1 11 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.836 -0.406 17719
3677 1 11 . 1 1 6 6 LEU C C 25 177.300 177.300 176.019 1.281 17719
3678 1 11 . 1 1 6 6 LEU CA C 25 55.100 55.100 54.836 0.264 17719
3679 1 11 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.757 0.644 17719
3680 1 11 . 1 1 6 6 LEU H H 25 8.320 8.320 8.417 -0.097 17719
3681 1 11 . 1 1 7 7 SER N N 26 118.100 118.100 120.434 -2.334 17719
3682 1 11 . 1 1 7 7 SER HA H 26 4.780 4.780 4.849 -0.069 17719
3683 1 11 . 1 1 7 7 SER C C 26 172.500 172.500 173.103 -0.603 17719
3684 1 11 . 1 1 7 7 SER CA C 26 56.400 56.400 56.107 0.293 17719
3685 1 11 . 1 1 7 7 SER CB C 26 63.300 63.300 64.791 -1.491 17719
3686 1 11 . 1 1 7 7 SER H H 26 8.330 8.330 8.665 -0.335 17719
3687 1 11 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.728 -0.258 17719
3688 1 11 . 1 1 8 8 PRO C C 27 176.600 176.600 175.677 0.923 17719
3689 1 11 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.643 0.357 17719
3690 1 11 . 1 1 8 8 PRO CB C 27 32.400 32.400 32.851 -0.451 17719
3691 1 11 . 1 1 9 9 LYS N N 28 122.600 122.600 120.528 2.072 17719
3692 1 11 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.262 -0.042 17719
3693 1 11 . 1 1 9 9 LYS C C 28 175.600 175.600 175.912 -0.312 17719
3694 1 11 . 1 1 9 9 LYS CA C 28 56.500 56.500 55.977 0.523 17719
3695 1 11 . 1 1 9 9 LYS CB C 28 33.100 33.100 32.878 0.222 17719
3696 1 11 . 1 1 9 9 LYS H H 28 8.410 8.410 8.648 -0.238 17719
3697 1 11 . 1 1 10 10 LYS N N 29 123.700 123.700 123.937 -0.237 17719
3698 1 11 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.304 0.016 17719
3699 1 11 . 1 1 10 10 LYS C C 29 175.800 175.800 175.680 0.120 17719
3700 1 11 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.688 0.612 17719
3701 1 11 . 1 1 10 10 LYS CB C 29 33.900 33.900 32.240 1.660 17719
3702 1 11 . 1 1 10 10 LYS H H 29 8.290 8.290 8.363 -0.073 17719
3703 1 11 . 1 1 11 11 VAL N N 30 122.800 122.800 123.653 -0.853 17719
3704 1 11 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.812 0.018 17719
3705 1 11 . 1 1 11 11 VAL C C 30 174.400 174.400 175.842 -1.442 17719
3706 1 11 . 1 1 11 11 VAL CA C 30 62.200 62.200 61.816 0.384 17719
3707 1 11 . 1 1 11 11 VAL CB C 30 33.400 33.400 33.243 0.157 17719
3708 1 11 . 1 1 11 11 VAL H H 30 8.010 8.010 8.393 -0.383 17719
3709 1 11 . 1 1 12 12 ASP N N 31 126.200 126.200 127.592 -1.392 17719
3710 1 11 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.601 0.219 17719
3711 1 11 . 1 1 12 12 ASP C C 31 176.800 176.800 175.394 1.406 17719
3712 1 11 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.352 -2.152 17719
3713 1 11 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.236 0.764 17719
3714 1 11 . 1 1 12 12 ASP H H 31 8.580 8.580 8.546 0.034 17719
3715 1 11 . 1 1 13 13 CYS N N 32 121.600 121.600 124.154 -2.554 17719
3716 1 11 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.723 0.327 17719
3717 1 11 . 1 1 13 13 CYS C C 32 176.800 176.800 175.707 1.093 17719
3718 1 11 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.680 -5.280 17719
3719 1 11 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.821 5.579 17719
3720 1 11 . 1 1 13 13 CYS H H 32 9.070 9.070 8.409 0.661 17719
3721 1 11 . 1 1 14 14 SER N N 33 118.000 118.000 117.235 0.765 17719
3722 1 11 . 1 1 14 14 SER HA H 33 4.030 4.030 4.170 -0.140 17719
3723 1 11 . 1 1 14 14 SER C C 33 177.100 177.100 175.968 1.132 17719
3724 1 11 . 1 1 14 14 SER CA C 33 62.400 62.400 61.840 0.560 17719
3725 1 11 . 1 1 14 14 SER CB C 33 62.600 62.600 62.969 -0.369 17719
3726 1 11 . 1 1 14 14 SER H H 33 8.760 8.760 8.202 0.558 17719
3727 1 11 . 1 1 15 15 ILE N N 34 117.700 117.700 117.171 0.529 17719
3728 1 11 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.784 0.206 17719
3729 1 11 . 1 1 15 15 ILE C C 34 176.600 176.600 177.174 -0.574 17719
3730 1 11 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.180 -0.680 17719
3731 1 11 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.600 -0.200 17719
3732 1 11 . 1 1 15 15 ILE H H 34 7.200 7.200 8.815 -1.615 17719
3733 1 11 . 1 1 16 16 TYR N N 35 118.000 118.000 118.338 -0.338 17719
3734 1 11 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.645 -0.035 17719
3735 1 11 . 1 1 16 16 TYR C C 35 176.300 176.300 177.698 -1.398 17719
3736 1 11 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.510 -0.709 17719
3737 1 11 . 1 1 16 16 TYR CB C 35 37.600 37.600 37.771 -0.171 17719
3738 1 11 . 1 1 16 16 TYR H H 35 7.470 7.470 7.397 0.073 17719
3739 1 11 . 1 1 17 17 LYS N N 36 119.200 119.200 118.288 0.912 17719
3740 1 11 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.192 0.038 17719
3741 1 11 . 1 1 17 17 LYS C C 36 176.300 176.300 177.335 -1.035 17719
3742 1 11 . 1 1 17 17 LYS CA C 36 58.700 58.700 57.545 1.155 17719
3743 1 11 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.267 1.033 17719
3744 1 11 . 1 1 17 17 LYS H H 36 7.590 7.590 7.501 0.089 17719
3745 1 11 . 1 1 18 18 LYS N N 37 115.100 115.100 116.741 -1.641 17719
3746 1 11 . 1 1 18 18 LYS HA H 37 4.150 4.150 3.987 0.163 17719
3747 1 11 . 1 1 18 18 LYS C C 37 175.500 175.500 176.842 -1.342 17719
3748 1 11 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.579 -0.879 17719
3749 1 11 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.320 -0.620 17719
3750 1 11 . 1 1 18 18 LYS H H 37 7.410 7.410 7.416 -0.006 17719
3751 1 11 . 1 1 19 19 TYR N N 38 120.200 120.200 118.954 1.246 17719
3752 1 11 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.788 0.022 17719
3753 1 11 . 1 1 19 19 TYR C C 38 173.600 173.600 173.580 0.020 17719
3754 1 11 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.887 1.613 17719
3755 1 11 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.362 -0.162 17719
3756 1 11 . 1 1 19 19 TYR H H 38 7.390 7.390 7.672 -0.282 17719
3757 1 11 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.478 0.102 17719
3758 1 11 . 1 1 20 20 PRO C C 39 179.000 179.000 177.805 1.195 17719
3759 1 11 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.690 0.410 17719
3760 1 11 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.933 -1.233 17719
3761 1 11 . 1 1 21 21 VAL N N 40 123.200 123.200 121.497 1.703 17719
3762 1 11 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.733 0.287 17719
3763 1 11 . 1 1 21 21 VAL C C 40 176.400 176.400 177.145 -0.745 17719
3764 1 11 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.399 -0.699 17719
3765 1 11 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.223 0.777 17719
3766 1 11 . 1 1 21 21 VAL H H 40 8.400 8.400 8.538 -0.138 17719
3767 1 11 . 1 1 22 22 VAL N N 41 110.600 110.600 112.633 -2.033 17719
3768 1 11 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.093 0.117 17719
3769 1 11 . 1 1 22 22 VAL C C 41 175.600 175.600 175.914 -0.314 17719
3770 1 11 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.066 -1.565 17719
3771 1 11 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.602 0.199 17719
3772 1 11 . 1 1 22 22 VAL H H 41 7.140 7.140 7.695 -0.555 17719
3773 1 11 . 1 1 23 23 ALA N N 42 126.600 126.600 124.368 2.232 17719
3774 1 11 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.605 -0.115 17719
3775 1 11 . 1 1 23 23 ALA C C 42 175.700 175.700 175.855 -0.155 17719
3776 1 11 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.230 0.170 17719
3777 1 11 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.550 -0.450 17719
3778 1 11 . 1 1 23 23 ALA H H 42 8.280 8.280 7.608 0.672 17719
3779 1 11 . 1 1 24 24 ILE N N 43 123.300 123.300 124.037 -0.737 17719
3780 1 11 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.219 -0.379 17719
3781 1 11 . 1 1 24 24 ILE C C 43 174.900 174.900 173.413 1.487 17719
3782 1 11 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.781 1.719 17719
3783 1 11 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.147 -1.147 17719
3784 1 11 . 1 1 24 24 ILE H H 43 7.970 7.970 7.928 0.042 17719
3785 1 11 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.303 0.177 17719
3786 1 11 . 1 1 25 25 PRO C C 44 175.900 175.900 175.571 0.329 17719
3787 1 11 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.493 -0.693 17719
3788 1 11 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.584 -1.184 17719
3789 1 11 . 1 1 26 26 CYS N N 45 120.500 120.500 120.893 -0.393 17719
3790 1 11 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.535 0.855 17719
3791 1 11 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.242 -6.342 17719
3792 1 11 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.040 7.360 17719
3793 1 11 . 1 1 26 26 CYS H H 45 8.290 8.290 8.187 0.103 17719
3794 1 11 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.602 0.048 17719
3795 1 11 . 1 1 27 27 PRO C C 46 177.000 177.000 176.256 0.744 17719
3796 1 11 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.600 -0.200 17719
3797 1 11 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.441 0.460 17719
3798 1 11 . 1 1 28 28 ILE N N 47 116.600 116.600 113.058 3.542 17719
3799 1 11 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.344 0.016 17719
3800 1 11 . 1 1 28 28 ILE C C 47 176.200 176.200 175.587 0.613 17719
3801 1 11 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.129 0.171 17719
3802 1 11 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.801 0.199 17719
3803 1 11 . 1 1 28 28 ILE H H 47 8.590 8.590 8.141 0.449 17719
3804 1 11 . 1 1 29 29 THR N N 48 114.700 114.700 118.679 -3.979 17719
3805 1 11 . 1 1 29 29 THR HA H 48 3.890 3.890 4.257 -0.367 17719
3806 1 11 . 1 1 29 29 THR C C 48 173.200 173.200 173.525 -0.325 17719
3807 1 11 . 1 1 29 29 THR CA C 48 62.600 62.600 63.258 -0.658 17719
3808 1 11 . 1 1 29 29 THR CB C 48 70.000 70.000 68.973 1.027 17719
3809 1 11 . 1 1 29 29 THR H H 48 7.130 7.130 7.640 -0.510 17719
3810 1 11 . 1 1 30 30 TYR N N 49 129.100 129.100 129.092 0.008 17719
3811 1 11 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.922 0.038 17719
3812 1 11 . 1 1 30 30 TYR C C 49 173.900 173.900 174.682 -0.782 17719
3813 1 11 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.138 0.462 17719
3814 1 11 . 1 1 30 30 TYR CB C 49 38.000 38.000 38.872 -0.872 17719
3815 1 11 . 1 1 30 30 TYR H H 49 9.020 9.020 8.628 0.392 17719
3816 1 11 . 1 1 31 31 LEU N N 50 131.700 131.700 130.673 1.027 17719
3817 1 11 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.652 -0.092 17719
3818 1 11 . 1 1 31 31 LEU C C 50 172.200 172.200 174.349 -2.149 17719
3819 1 11 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.242 1.359 17719
3820 1 11 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.762 -0.862 17719
3821 1 11 . 1 1 31 31 LEU H H 50 8.600 8.600 8.552 0.048 17719
3822 1 11 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.761 -0.321 17719
3823 1 11 . 1 1 32 32 PRO C C 51 176.800 176.800 176.474 0.326 17719
3824 1 11 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.387 0.313 17719
3825 1 11 . 1 1 32 32 PRO CB C 51 32.900 32.900 30.912 1.988 17719
3826 1 11 . 1 1 33 33 VAL N N 52 110.700 110.700 117.519 -6.819 17719
3827 1 11 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.487 0.233 17719
3828 1 11 . 1 1 33 33 VAL C C 52 172.600 172.600 173.727 -1.127 17719
3829 1 11 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.204 0.396 17719
3830 1 11 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.294 0.406 17719
3831 1 11 . 1 1 33 33 VAL H H 52 8.230 8.230 8.356 -0.126 17719
3832 1 11 . 1 1 34 34 CYS N N 53 122.200 122.200 123.024 -0.824 17719
3833 1 11 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.424 -0.334 17719
3834 1 11 . 1 1 34 34 CYS C C 53 175.600 175.600 175.381 0.219 17719
3835 1 11 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.187 -1.687 17719
3836 1 11 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.308 10.992 17719
3837 1 11 . 1 1 34 34 CYS H H 53 8.550 8.550 8.531 0.019 17719
3838 1 11 . 1 1 35 35 GLY N N 54 115.900 115.900 113.617 2.283 17719
3839 1 11 . 1 1 35 35 GLY C C 54 174.500 174.500 174.959 -0.459 17719
3840 1 11 . 1 1 35 35 GLY CA C 54 44.700 44.700 44.004 0.696 17719
3841 1 11 . 1 1 35 35 GLY H H 54 9.060 9.060 8.692 0.368 17719
3842 1 11 . 1 1 36 36 SER N N 55 113.400 113.400 114.805 -1.405 17719
3843 1 11 . 1 1 36 36 SER HA H 55 3.760 3.760 3.937 -0.177 17719
3844 1 11 . 1 1 36 36 SER C C 55 173.300 173.300 174.794 -1.494 17719
3845 1 11 . 1 1 36 36 SER CA C 55 60.400 60.400 60.508 -0.107 17719
3846 1 11 . 1 1 36 36 SER CB C 55 62.300 62.300 63.080 -0.780 17719
3847 1 11 . 1 1 36 36 SER H H 55 9.270 9.270 8.525 0.745 17719
3848 1 11 . 1 1 37 37 ASP N N 56 121.100 121.100 119.823 1.277 17719
3849 1 11 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.599 -0.259 17719
3850 1 11 . 1 1 37 37 ASP C C 56 175.600 175.600 175.458 0.142 17719
3851 1 11 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.530 -0.430 17719
3852 1 11 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.925 -1.325 17719
3853 1 11 . 1 1 37 37 ASP H H 56 9.150 9.150 7.850 1.300 17719
3854 1 11 . 1 1 38 38 TYR N N 57 116.100 116.100 113.184 2.916 17719
3855 1 11 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.105 -0.095 17719
3856 1 11 . 1 1 38 38 TYR C C 57 174.700 174.700 174.282 0.418 17719
3857 1 11 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.305 1.695 17719
3858 1 11 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.360 -1.060 17719
3859 1 11 . 1 1 38 38 TYR H H 57 8.630 8.630 7.599 1.031 17719
3860 1 11 . 1 1 39 39 ILE N N 58 120.700 120.700 120.118 0.582 17719
3861 1 11 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.244 -0.234 17719
3862 1 11 . 1 1 39 39 ILE C C 58 174.900 174.900 175.139 -0.239 17719
3863 1 11 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.215 0.085 17719
3864 1 11 . 1 1 39 39 ILE CB C 58 37.600 37.600 39.303 -1.703 17719
3865 1 11 . 1 1 39 39 ILE H H 58 7.480 7.480 7.506 -0.026 17719
3866 1 11 . 1 1 40 40 THR N N 59 123.700 123.700 123.552 0.148 17719
3867 1 11 . 1 1 40 40 THR HA H 59 4.670 4.670 4.688 -0.018 17719
3868 1 11 . 1 1 40 40 THR C C 59 174.800 174.800 173.825 0.975 17719
3869 1 11 . 1 1 40 40 THR CA C 59 62.700 62.700 62.024 0.676 17719
3870 1 11 . 1 1 40 40 THR CB C 59 68.900 68.900 68.731 0.169 17719
3871 1 11 . 1 1 40 40 THR H H 59 8.090 8.090 8.338 -0.248 17719
3872 1 11 . 1 1 41 41 TYR N N 60 129.700 129.700 126.196 3.504 17719
3873 1 11 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.602 -0.192 17719
3874 1 11 . 1 1 41 41 TYR C C 60 177.200 177.200 177.175 0.025 17719
3875 1 11 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.314 0.886 17719
3876 1 11 . 1 1 41 41 TYR CB C 60 41.800 41.800 39.994 1.806 17719
3877 1 11 . 1 1 41 41 TYR H H 60 9.550 9.550 9.042 0.508 17719
3878 1 11 . 1 1 42 42 GLY N N 61 107.800 107.800 108.227 -0.427 17719
3879 1 11 . 1 1 42 42 GLY C C 61 172.800 172.800 172.892 -0.092 17719
3880 1 11 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.799 1.901 17719
3881 1 11 . 1 1 42 42 GLY H H 61 9.310 9.310 9.037 0.273 17719
3882 1 11 . 1 1 43 43 ASN N N 62 104.600 104.600 112.788 -8.188 17719
3883 1 11 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.085 -0.135 17719
3884 1 11 . 1 1 43 43 ASN C C 62 176.700 176.700 175.153 1.547 17719
3885 1 11 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.894 0.606 17719
3886 1 11 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.610 0.290 17719
3887 1 11 . 1 1 43 43 ASN H H 62 7.380 7.380 7.645 -0.265 17719
3888 1 11 . 1 1 44 44 GLU N N 63 118.300 118.300 119.353 -1.053 17719
3889 1 11 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.144 -0.254 17719
3890 1 11 . 1 1 44 44 GLU C C 63 176.100 176.100 177.250 -1.150 17719
3891 1 11 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.316 0.384 17719
3892 1 11 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.787 1.013 17719
3893 1 11 . 1 1 44 44 GLU H H 63 9.310 9.310 8.880 0.430 17719
3894 1 11 . 1 1 45 45 CYS N N 64 121.400 121.400 121.247 0.153 17719
3895 1 11 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.332 0.038 17719
3896 1 11 . 1 1 45 45 CYS C C 64 177.700 177.700 176.578 1.122 17719
3897 1 11 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.778 -1.678 17719
3898 1 11 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.258 10.142 17719
3899 1 11 . 1 1 45 45 CYS H H 64 8.270 8.270 8.549 -0.279 17719
3900 1 11 . 1 1 46 46 HIS N N 65 121.000 121.000 119.367 1.633 17719
3901 1 11 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.511 -0.131 17719
3902 1 11 . 1 1 46 46 HIS C C 65 177.800 177.800 177.786 0.014 17719
3903 1 11 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.179 0.521 17719
3904 1 11 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.465 0.035 17719
3905 1 11 . 1 1 46 46 HIS H H 65 8.120 8.120 8.317 -0.197 17719
3906 1 11 . 1 1 47 47 LEU N N 66 122.300 122.300 121.200 1.100 17719
3907 1 11 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.082 -0.232 17719
3908 1 11 . 1 1 47 47 LEU C C 66 178.300 178.300 178.216 0.084 17719
3909 1 11 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.308 1.192 17719
3910 1 11 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.324 -0.724 17719
3911 1 11 . 1 1 47 47 LEU H H 66 7.630 7.630 7.574 0.056 17719
3912 1 11 . 1 1 48 48 CYS N N 67 117.500 117.500 119.621 -2.121 17719
3913 1 11 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.926 0.514 17719
3914 1 11 . 1 1 48 48 CYS C C 67 176.700 176.700 176.844 -0.144 17719
3915 1 11 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.876 -6.676 17719
3916 1 11 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.883 9.217 17719
3917 1 11 . 1 1 48 48 CYS H H 67 8.960 8.960 8.784 0.176 17719
3918 1 11 . 1 1 49 49 THR N N 68 118.000 118.000 115.669 2.331 17719
3919 1 11 . 1 1 49 49 THR HA H 68 3.800 3.800 3.909 -0.109 17719
3920 1 11 . 1 1 49 49 THR C C 68 175.400 175.400 176.743 -1.343 17719
3921 1 11 . 1 1 49 49 THR CA C 68 67.600 67.600 66.629 0.971 17719
3922 1 11 . 1 1 49 49 THR CB C 68 68.800 68.800 67.658 1.142 17719
3923 1 11 . 1 1 49 49 THR H H 68 8.330 8.330 8.427 -0.097 17719
3924 1 11 . 1 1 50 50 GLU N N 69 121.300 121.300 122.291 -0.991 17719
3925 1 11 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.054 0.206 17719
3926 1 11 . 1 1 50 50 GLU C C 69 180.000 180.000 178.707 1.293 17719
3927 1 11 . 1 1 50 50 GLU CA C 69 58.200 58.200 59.251 -1.051 17719
3928 1 11 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.066 -0.466 17719
3929 1 11 . 1 1 50 50 GLU H H 69 7.070 7.070 7.670 -0.600 17719
3930 1 11 . 1 1 51 51 SER N N 70 117.100 117.100 116.022 1.078 17719
3931 1 11 . 1 1 51 51 SER HA H 70 4.030 4.030 4.183 -0.153 17719
3932 1 11 . 1 1 51 51 SER C C 70 177.800 177.800 176.841 0.959 17719
3933 1 11 . 1 1 51 51 SER CA C 70 62.400 62.400 62.194 0.206 17719
3934 1 11 . 1 1 51 51 SER CB C 70 64.900 64.900 62.962 1.938 17719
3935 1 11 . 1 1 51 51 SER H H 70 9.040 9.040 7.994 1.046 17719
3936 1 11 . 1 1 52 52 LEU N N 71 119.100 119.100 121.381 -2.281 17719
3937 1 11 . 1 1 52 52 LEU HA H 71 4.200 4.200 3.988 0.212 17719
3938 1 11 . 1 1 52 52 LEU C C 71 181.400 181.400 179.222 2.178 17719
3939 1 11 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.706 0.194 17719
3940 1 11 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.643 -0.343 17719
3941 1 11 . 1 1 52 52 LEU H H 71 8.540 8.540 8.572 -0.032 17719
3942 1 11 . 1 1 53 53 LYS N N 72 121.700 121.700 121.395 0.305 17719
3943 1 11 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.039 0.001 17719
3944 1 11 . 1 1 53 53 LYS C C 72 177.600 177.600 177.920 -0.320 17719
3945 1 11 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.163 0.637 17719
3946 1 11 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.564 0.536 17719
3947 1 11 . 1 1 53 53 LYS H H 72 8.380 8.380 8.406 -0.026 17719
3948 1 11 . 1 1 54 54 SER N N 73 111.300 111.300 112.462 -1.162 17719
3949 1 11 . 1 1 54 54 SER HA H 73 4.600 4.600 4.625 -0.025 17719
3950 1 11 . 1 1 54 54 SER C C 73 175.300 175.300 172.777 2.523 17719
3951 1 11 . 1 1 54 54 SER CA C 73 58.300 58.300 58.073 0.227 17719
3952 1 11 . 1 1 54 54 SER CB C 73 64.700 64.700 63.123 1.577 17719
3953 1 11 . 1 1 54 54 SER H H 73 8.150 8.150 7.912 0.238 17719
3954 1 11 . 1 1 55 55 ASN N N 74 120.000 120.000 119.047 0.953 17719
3955 1 11 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.341 0.169 17719
3956 1 11 . 1 1 55 55 ASN C C 74 175.600 175.600 175.480 0.120 17719
3957 1 11 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.058 0.442 17719
3958 1 11 . 1 1 55 55 ASN CB C 74 37.100 37.100 37.302 -0.202 17719
3959 1 11 . 1 1 55 55 ASN H H 74 8.070 8.070 7.689 0.381 17719
3960 1 11 . 1 1 56 56 GLY N N 75 103.900 103.900 107.347 -3.447 17719
3961 1 11 . 1 1 56 56 GLY C C 75 174.700 174.700 173.696 1.004 17719
3962 1 11 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.572 -0.572 17719
3963 1 11 . 1 1 56 56 GLY H H 75 8.970 8.970 8.804 0.166 17719
3964 1 11 . 1 1 57 57 ARG N N 76 122.200 122.200 119.230 2.970 17719
3965 1 11 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.102 -0.062 17719
3966 1 11 . 1 1 57 57 ARG C C 76 177.200 177.200 175.882 1.318 17719
3967 1 11 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.808 0.392 17719
3968 1 11 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.868 -0.468 17719
3969 1 11 . 1 1 57 57 ARG H H 76 7.600 7.600 7.456 0.144 17719
3970 1 11 . 1 1 58 58 VAL N N 77 117.000 117.000 118.064 -1.064 17719
3971 1 11 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.411 -0.701 17719
3972 1 11 . 1 1 58 58 VAL C C 77 174.500 174.500 174.593 -0.093 17719
3973 1 11 . 1 1 58 58 VAL CA C 77 63.200 63.200 61.322 1.878 17719
3974 1 11 . 1 1 58 58 VAL CB C 77 32.800 32.800 33.451 -0.651 17719
3975 1 11 . 1 1 58 58 VAL H H 77 7.340 7.340 7.896 -0.556 17719
3976 1 11 . 1 1 59 59 GLN N N 78 125.000 125.000 127.056 -2.056 17719
3977 1 11 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.711 -0.231 17719
3978 1 11 . 1 1 59 59 GLN C C 78 174.900 174.900 174.850 0.050 17719
3979 1 11 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.824 -0.024 17719
3980 1 11 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.778 -0.178 17719
3981 1 11 . 1 1 59 59 GLN H H 78 8.510 8.510 9.044 -0.534 17719
3982 1 11 . 1 1 60 60 PHE N N 79 121.400 121.400 120.810 0.590 17719
3983 1 11 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.308 -0.358 17719
3984 1 11 . 1 1 60 60 PHE C C 79 173.900 173.900 174.709 -0.809 17719
3985 1 11 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.746 0.554 17719
3986 1 11 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.289 0.611 17719
3987 1 11 . 1 1 60 60 PHE H H 79 9.050 9.050 8.802 0.248 17719
3988 1 11 . 1 1 61 61 LEU N N 80 128.900 128.900 128.246 0.654 17719
3989 1 11 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.481 0.039 17719
3990 1 11 . 1 1 61 61 LEU C C 80 175.700 175.700 175.020 0.680 17719
3991 1 11 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.387 0.613 17719
3992 1 11 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.965 0.435 17719
3993 1 11 . 1 1 61 61 LEU H H 80 8.270 8.270 8.549 -0.279 17719
3994 1 11 . 1 1 62 62 HIS N N 81 107.500 107.500 110.574 -3.074 17719
3995 1 11 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.736 -0.366 17719
3996 1 11 . 1 1 62 62 HIS C C 81 172.000 172.000 172.371 -0.371 17719
3997 1 11 . 1 1 62 62 HIS CA C 81 55.100 55.100 54.214 0.886 17719
3998 1 11 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.643 -1.943 17719
3999 1 11 . 1 1 62 62 HIS H H 81 6.860 6.860 7.290 -0.430 17719
4000 1 11 . 1 1 63 63 ASP N N 82 120.900 120.900 119.139 1.761 17719
4001 1 11 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.247 0.653 17719
4002 1 11 . 1 1 63 63 ASP C C 82 178.500 178.500 176.932 1.568 17719
4003 1 11 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.229 1.371 17719
4004 1 11 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.843 0.557 17719
4005 1 11 . 1 1 63 63 ASP H H 82 9.330 9.330 8.536 0.794 17719
4006 1 11 . 1 1 64 64 GLY N N 83 114.500 114.500 108.140 6.360 17719
4007 1 11 . 1 1 64 64 GLY C C 83 170.400 170.400 173.880 -3.480 17719
4008 1 11 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.423 0.477 17719
4009 1 11 . 1 1 64 64 GLY H H 83 8.330 8.330 8.321 0.009 17719
4010 1 11 . 1 1 65 65 SER N N 84 107.400 107.400 116.416 -9.016 17719
4011 1 11 . 1 1 65 65 SER HA H 84 4.140 4.140 4.256 -0.116 17719
4012 1 11 . 1 1 65 65 SER C C 84 176.400 176.400 175.272 1.128 17719
4013 1 11 . 1 1 65 65 SER CA C 84 58.300 58.300 59.036 -0.736 17719
4014 1 11 . 1 1 65 65 SER CB C 84 63.900 63.900 63.862 0.038 17719
4015 1 11 . 1 1 65 65 SER H H 84 7.870 7.870 8.410 -0.540 17719
4016 1 12 . 1 1 2 2 GLU N N 21 121.800 121.800 122.742 -0.942 17719
4017 1 12 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.568 -0.178 17719
4018 1 12 . 1 1 2 2 GLU C C 21 176.100 176.100 175.478 0.622 17719
4019 1 12 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.142 0.058 17719
4020 1 12 . 1 1 2 2 GLU CB C 21 30.300 30.300 30.605 -0.305 17719
4021 1 12 . 1 1 2 2 GLU H H 21 8.860 8.860 8.221 0.639 17719
4022 1 12 . 1 1 3 3 ALA N N 22 126.000 126.000 126.789 -0.789 17719
4023 1 12 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.471 -0.201 17719
4024 1 12 . 1 1 3 3 ALA C C 22 177.700 177.700 177.007 0.693 17719
4025 1 12 . 1 1 3 3 ALA CA C 22 52.600 52.600 51.959 0.641 17719
4026 1 12 . 1 1 3 3 ALA CB C 22 19.100 19.100 18.605 0.495 17719
4027 1 12 . 1 1 3 3 ALA H H 22 8.550 8.550 8.559 -0.009 17719
4028 1 12 . 1 1 4 4 ALA N N 23 123.600 123.600 124.956 -1.356 17719
4029 1 12 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.134 0.176 17719
4030 1 12 . 1 1 4 4 ALA C C 23 177.900 177.900 177.051 0.849 17719
4031 1 12 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.252 0.348 17719
4032 1 12 . 1 1 4 4 ALA CB C 23 19.100 19.100 18.193 0.907 17719
4033 1 12 . 1 1 4 4 ALA H H 23 8.400 8.400 8.158 0.242 17719
4034 1 12 . 1 1 5 5 SER N N 24 115.100 115.100 115.587 -0.487 17719
4035 1 12 . 1 1 5 5 SER HA H 24 4.440 4.440 4.481 -0.041 17719
4036 1 12 . 1 1 5 5 SER C C 24 174.500 174.500 174.567 -0.067 17719
4037 1 12 . 1 1 5 5 SER CA C 24 58.200 58.200 58.514 -0.314 17719
4038 1 12 . 1 1 5 5 SER CB C 24 63.800 63.800 63.337 0.463 17719
4039 1 12 . 1 1 5 5 SER H H 24 8.300 8.300 8.813 -0.513 17719
4040 1 12 . 1 1 6 6 LEU N N 25 124.200 124.200 119.936 4.264 17719
4041 1 12 . 1 1 6 6 LEU HA H 25 4.430 4.430 3.957 0.473 17719
4042 1 12 . 1 1 6 6 LEU C C 25 177.300 177.300 175.930 1.370 17719
4043 1 12 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.593 -0.493 17719
4044 1 12 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.256 1.144 17719
4045 1 12 . 1 1 6 6 LEU H H 25 8.320 8.320 7.867 0.453 17719
4046 1 12 . 1 1 7 7 SER N N 26 118.100 118.100 115.283 2.817 17719
4047 1 12 . 1 1 7 7 SER HA H 26 4.780 4.780 4.848 -0.068 17719
4048 1 12 . 1 1 7 7 SER C C 26 172.500 172.500 173.181 -0.681 17719
4049 1 12 . 1 1 7 7 SER CA C 26 56.400 56.400 56.282 0.118 17719
4050 1 12 . 1 1 7 7 SER CB C 26 63.300 63.300 63.889 -0.589 17719
4051 1 12 . 1 1 7 7 SER H H 26 8.330 8.330 8.260 0.070 17719
4052 1 12 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.541 -0.071 17719
4053 1 12 . 1 1 8 8 PRO C C 27 176.600 176.600 176.215 0.385 17719
4054 1 12 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.895 0.105 17719
4055 1 12 . 1 1 8 8 PRO CB C 27 32.400 32.400 31.927 0.473 17719
4056 1 12 . 1 1 9 9 LYS N N 28 122.600 122.600 120.936 1.664 17719
4057 1 12 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.172 0.048 17719
4058 1 12 . 1 1 9 9 LYS C C 28 175.600 175.600 175.570 0.030 17719
4059 1 12 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.815 -0.315 17719
4060 1 12 . 1 1 9 9 LYS CB C 28 33.100 33.100 32.897 0.203 17719
4061 1 12 . 1 1 9 9 LYS H H 28 8.410 8.410 7.742 0.668 17719
4062 1 12 . 1 1 10 10 LYS N N 29 123.700 123.700 121.187 2.513 17719
4063 1 12 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.575 -0.255 17719
4064 1 12 . 1 1 10 10 LYS C C 29 175.800 175.800 174.172 1.628 17719
4065 1 12 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.980 0.320 17719
4066 1 12 . 1 1 10 10 LYS CB C 29 33.900 33.900 33.970 -0.070 17719
4067 1 12 . 1 1 10 10 LYS H H 29 8.290 8.290 7.907 0.383 17719
4068 1 12 . 1 1 11 11 VAL N N 30 122.800 122.800 119.627 3.173 17719
4069 1 12 . 1 1 11 11 VAL HA H 30 3.830 3.830 4.121 -0.291 17719
4070 1 12 . 1 1 11 11 VAL C C 30 174.400 174.400 174.071 0.329 17719
4071 1 12 . 1 1 11 11 VAL CA C 30 62.200 62.200 60.841 1.359 17719
4072 1 12 . 1 1 11 11 VAL CB C 30 33.400 33.400 34.305 -0.905 17719
4073 1 12 . 1 1 11 11 VAL H H 30 8.010 8.010 8.040 -0.030 17719
4074 1 12 . 1 1 12 12 ASP N N 31 126.200 126.200 124.257 1.943 17719
4075 1 12 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.579 0.241 17719
4076 1 12 . 1 1 12 12 ASP C C 31 176.800 176.800 175.681 1.119 17719
4077 1 12 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.811 -2.611 17719
4078 1 12 . 1 1 12 12 ASP CB C 31 41.000 41.000 41.426 -0.426 17719
4079 1 12 . 1 1 12 12 ASP H H 31 8.580 8.580 8.452 0.128 17719
4080 1 12 . 1 1 13 13 CYS N N 32 121.600 121.600 124.736 -3.136 17719
4081 1 12 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.750 0.300 17719
4082 1 12 . 1 1 13 13 CYS C C 32 176.800 176.800 175.525 1.275 17719
4083 1 12 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.168 -4.768 17719
4084 1 12 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.484 5.916 17719
4085 1 12 . 1 1 13 13 CYS H H 32 9.070 9.070 8.797 0.273 17719
4086 1 12 . 1 1 14 14 SER N N 33 118.000 118.000 118.901 -0.901 17719
4087 1 12 . 1 1 14 14 SER HA H 33 4.030 4.030 4.225 -0.195 17719
4088 1 12 . 1 1 14 14 SER C C 33 177.100 177.100 176.244 0.856 17719
4089 1 12 . 1 1 14 14 SER CA C 33 62.400 62.400 62.124 0.276 17719
4090 1 12 . 1 1 14 14 SER CB C 33 62.600 62.600 62.884 -0.284 17719
4091 1 12 . 1 1 14 14 SER H H 33 8.760 8.760 8.749 0.011 17719
4092 1 12 . 1 1 15 15 ILE N N 34 117.700 117.700 118.258 -0.558 17719
4093 1 12 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.801 0.189 17719
4094 1 12 . 1 1 15 15 ILE C C 34 176.600 176.600 176.724 -0.124 17719
4095 1 12 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.410 -0.910 17719
4096 1 12 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.546 -0.146 17719
4097 1 12 . 1 1 15 15 ILE H H 34 7.200 7.200 8.593 -1.393 17719
4098 1 12 . 1 1 16 16 TYR N N 35 118.000 118.000 118.887 -0.887 17719
4099 1 12 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.807 -0.197 17719
4100 1 12 . 1 1 16 16 TYR C C 35 176.300 176.300 177.973 -1.673 17719
4101 1 12 . 1 1 16 16 TYR CA C 35 58.800 58.800 60.115 -1.315 17719
4102 1 12 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.439 -0.839 17719
4103 1 12 . 1 1 16 16 TYR H H 35 7.470 7.470 7.326 0.144 17719
4104 1 12 . 1 1 17 17 LYS N N 36 119.200 119.200 119.042 0.158 17719
4105 1 12 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.149 0.081 17719
4106 1 12 . 1 1 17 17 LYS C C 36 176.300 176.300 176.951 -0.651 17719
4107 1 12 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.670 0.030 17719
4108 1 12 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.067 0.233 17719
4109 1 12 . 1 1 17 17 LYS H H 36 7.590 7.590 7.846 -0.256 17719
4110 1 12 . 1 1 18 18 LYS N N 37 115.100 115.100 116.366 -1.266 17719
4111 1 12 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.123 0.027 17719
4112 1 12 . 1 1 18 18 LYS C C 37 175.500 175.500 176.607 -1.107 17719
4113 1 12 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.878 -0.178 17719
4114 1 12 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.256 -0.556 17719
4115 1 12 . 1 1 18 18 LYS H H 37 7.410 7.410 7.586 -0.176 17719
4116 1 12 . 1 1 19 19 TYR N N 38 120.200 120.200 119.831 0.369 17719
4117 1 12 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.743 0.067 17719
4118 1 12 . 1 1 19 19 TYR C C 38 173.600 173.600 173.678 -0.078 17719
4119 1 12 . 1 1 19 19 TYR CA C 38 56.500 56.500 55.053 1.447 17719
4120 1 12 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.990 0.210 17719
4121 1 12 . 1 1 19 19 TYR H H 38 7.390 7.390 7.724 -0.334 17719
4122 1 12 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.421 0.159 17719
4123 1 12 . 1 1 20 20 PRO C C 39 179.000 179.000 178.045 0.955 17719
4124 1 12 . 1 1 20 20 PRO CA C 39 63.100 63.100 63.123 -0.023 17719
4125 1 12 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.623 -0.923 17719
4126 1 12 . 1 1 21 21 VAL N N 40 123.200 123.200 123.588 -0.388 17719
4127 1 12 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.692 0.328 17719
4128 1 12 . 1 1 21 21 VAL C C 40 176.400 176.400 177.496 -1.096 17719
4129 1 12 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.435 -0.735 17719
4130 1 12 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.789 0.211 17719
4131 1 12 . 1 1 21 21 VAL H H 40 8.400 8.400 8.478 -0.078 17719
4132 1 12 . 1 1 22 22 VAL N N 41 110.600 110.600 115.677 -5.077 17719
4133 1 12 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.018 0.192 17719
4134 1 12 . 1 1 22 22 VAL C C 41 175.600 175.600 175.336 0.264 17719
4135 1 12 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.010 -1.510 17719
4136 1 12 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.974 -0.174 17719
4137 1 12 . 1 1 22 22 VAL H H 41 7.140 7.140 7.798 -0.658 17719
4138 1 12 . 1 1 23 23 ALA N N 42 126.600 126.600 123.400 3.200 17719
4139 1 12 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.587 -0.097 17719
4140 1 12 . 1 1 23 23 ALA C C 42 175.700 175.700 175.922 -0.222 17719
4141 1 12 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.014 0.386 17719
4142 1 12 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.452 -0.352 17719
4143 1 12 . 1 1 23 23 ALA H H 42 8.280 8.280 7.461 0.819 17719
4144 1 12 . 1 1 24 24 ILE N N 43 123.300 123.300 124.436 -1.136 17719
4145 1 12 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.285 -0.445 17719
4146 1 12 . 1 1 24 24 ILE C C 43 174.900 174.900 173.505 1.395 17719
4147 1 12 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.823 1.677 17719
4148 1 12 . 1 1 24 24 ILE CB C 43 39.000 39.000 39.786 -0.786 17719
4149 1 12 . 1 1 24 24 ILE H H 43 7.970 7.970 8.024 -0.054 17719
4150 1 12 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.287 0.193 17719
4151 1 12 . 1 1 25 25 PRO C C 44 175.900 175.900 175.401 0.499 17719
4152 1 12 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.700 -0.900 17719
4153 1 12 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.717 -1.317 17719
4154 1 12 . 1 1 26 26 CYS N N 45 120.500 120.500 121.685 -1.185 17719
4155 1 12 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.567 0.823 17719
4156 1 12 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.172 -6.272 17719
4157 1 12 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.214 7.186 17719
4158 1 12 . 1 1 26 26 CYS H H 45 8.290 8.290 8.186 0.104 17719
4159 1 12 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.568 0.082 17719
4160 1 12 . 1 1 27 27 PRO C C 46 177.000 177.000 176.317 0.683 17719
4161 1 12 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.835 -0.435 17719
4162 1 12 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.414 0.486 17719
4163 1 12 . 1 1 28 28 ILE N N 47 116.600 116.600 113.682 2.918 17719
4164 1 12 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.218 0.142 17719
4165 1 12 . 1 1 28 28 ILE C C 47 176.200 176.200 176.029 0.171 17719
4166 1 12 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.822 -0.522 17719
4167 1 12 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.745 0.255 17719
4168 1 12 . 1 1 28 28 ILE H H 47 8.590 8.590 8.096 0.494 17719
4169 1 12 . 1 1 29 29 THR N N 48 114.700 114.700 118.352 -3.652 17719
4170 1 12 . 1 1 29 29 THR HA H 48 3.890 3.890 4.260 -0.370 17719
4171 1 12 . 1 1 29 29 THR C C 48 173.200 173.200 173.551 -0.351 17719
4172 1 12 . 1 1 29 29 THR CA C 48 62.600 62.600 63.172 -0.573 17719
4173 1 12 . 1 1 29 29 THR CB C 48 70.000 70.000 68.927 1.073 17719
4174 1 12 . 1 1 29 29 THR H H 48 7.130 7.130 7.706 -0.576 17719
4175 1 12 . 1 1 30 30 TYR N N 49 129.100 129.100 129.173 -0.073 17719
4176 1 12 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.668 0.292 17719
4177 1 12 . 1 1 30 30 TYR C C 49 173.900 173.900 174.651 -0.751 17719
4178 1 12 . 1 1 30 30 TYR CA C 49 57.600 57.600 58.058 -0.458 17719
4179 1 12 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.191 -1.191 17719
4180 1 12 . 1 1 30 30 TYR H H 49 9.020 9.020 8.631 0.389 17719
4181 1 12 . 1 1 31 31 LEU N N 50 131.700 131.700 130.313 1.387 17719
4182 1 12 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.817 -0.257 17719
4183 1 12 . 1 1 31 31 LEU C C 50 172.200 172.200 174.338 -2.138 17719
4184 1 12 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.604 0.996 17719
4185 1 12 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.930 -1.030 17719
4186 1 12 . 1 1 31 31 LEU H H 50 8.600 8.600 8.755 -0.155 17719
4187 1 12 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.625 -0.185 17719
4188 1 12 . 1 1 32 32 PRO C C 51 176.800 176.800 176.222 0.578 17719
4189 1 12 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.565 0.135 17719
4190 1 12 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.101 1.799 17719
4191 1 12 . 1 1 33 33 VAL N N 52 110.700 110.700 118.337 -7.637 17719
4192 1 12 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.404 0.317 17719
4193 1 12 . 1 1 33 33 VAL C C 52 172.600 172.600 173.690 -1.090 17719
4194 1 12 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.150 0.450 17719
4195 1 12 . 1 1 33 33 VAL CB C 52 35.700 35.700 34.659 1.041 17719
4196 1 12 . 1 1 33 33 VAL H H 52 8.230 8.230 8.606 -0.376 17719
4197 1 12 . 1 1 34 34 CYS N N 53 122.200 122.200 122.539 -0.339 17719
4198 1 12 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.232 -0.142 17719
4199 1 12 . 1 1 34 34 CYS C C 53 175.600 175.600 174.806 0.794 17719
4200 1 12 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.239 -1.739 17719
4201 1 12 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.692 10.608 17719
4202 1 12 . 1 1 34 34 CYS H H 53 8.550 8.550 8.358 0.192 17719
4203 1 12 . 1 1 35 35 GLY N N 54 115.900 115.900 113.678 2.222 17719
4204 1 12 . 1 1 35 35 GLY C C 54 174.500 174.500 175.250 -0.750 17719
4205 1 12 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.952 0.748 17719
4206 1 12 . 1 1 35 35 GLY H H 54 9.060 9.060 8.882 0.178 17719
4207 1 12 . 1 1 36 36 SER N N 55 113.400 113.400 116.463 -3.063 17719
4208 1 12 . 1 1 36 36 SER HA H 55 3.760 3.760 3.995 -0.235 17719
4209 1 12 . 1 1 36 36 SER C C 55 173.300 173.300 174.517 -1.217 17719
4210 1 12 . 1 1 36 36 SER CA C 55 60.400 60.400 61.150 -0.750 17719
4211 1 12 . 1 1 36 36 SER CB C 55 62.300 62.300 62.951 -0.651 17719
4212 1 12 . 1 1 36 36 SER H H 55 9.270 9.270 8.448 0.822 17719
4213 1 12 . 1 1 37 37 ASP N N 56 121.100 121.100 118.938 2.162 17719
4214 1 12 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.636 -0.296 17719
4215 1 12 . 1 1 37 37 ASP C C 56 175.600 175.600 175.545 0.055 17719
4216 1 12 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.641 -0.541 17719
4217 1 12 . 1 1 37 37 ASP CB C 56 39.600 39.600 41.039 -1.439 17719
4218 1 12 . 1 1 37 37 ASP H H 56 9.150 9.150 7.883 1.267 17719
4219 1 12 . 1 1 38 38 TYR N N 57 116.100 116.100 112.757 3.343 17719
4220 1 12 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.103 -0.093 17719
4221 1 12 . 1 1 38 38 TYR C C 57 174.700 174.700 174.210 0.490 17719
4222 1 12 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.288 1.712 17719
4223 1 12 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.428 -1.128 17719
4224 1 12 . 1 1 38 38 TYR H H 57 8.630 8.630 7.709 0.921 17719
4225 1 12 . 1 1 39 39 ILE N N 58 120.700 120.700 120.797 -0.097 17719
4226 1 12 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.222 -0.212 17719
4227 1 12 . 1 1 39 39 ILE C C 58 174.900 174.900 175.574 -0.674 17719
4228 1 12 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.289 0.011 17719
4229 1 12 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.611 -1.011 17719
4230 1 12 . 1 1 39 39 ILE H H 58 7.480 7.480 7.477 0.003 17719
4231 1 12 . 1 1 40 40 THR N N 59 123.700 123.700 123.688 0.012 17719
4232 1 12 . 1 1 40 40 THR HA H 59 4.670 4.670 4.681 -0.011 17719
4233 1 12 . 1 1 40 40 THR C C 59 174.800 174.800 173.614 1.186 17719
4234 1 12 . 1 1 40 40 THR CA C 59 62.700 62.700 62.636 0.064 17719
4235 1 12 . 1 1 40 40 THR CB C 59 68.900 68.900 69.257 -0.357 17719
4236 1 12 . 1 1 40 40 THR H H 59 8.090 8.090 8.444 -0.354 17719
4237 1 12 . 1 1 41 41 TYR N N 60 129.700 129.700 127.040 2.660 17719
4238 1 12 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.614 -0.204 17719
4239 1 12 . 1 1 41 41 TYR C C 60 177.200 177.200 176.906 0.294 17719
4240 1 12 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.349 0.851 17719
4241 1 12 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.240 1.560 17719
4242 1 12 . 1 1 41 41 TYR H H 60 9.550 9.550 9.144 0.406 17719
4243 1 12 . 1 1 42 42 GLY N N 61 107.800 107.800 108.801 -1.001 17719
4244 1 12 . 1 1 42 42 GLY C C 61 172.800 172.800 172.659 0.141 17719
4245 1 12 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.918 1.782 17719
4246 1 12 . 1 1 42 42 GLY H H 61 9.310 9.310 9.022 0.288 17719
4247 1 12 . 1 1 43 43 ASN N N 62 104.600 104.600 112.796 -8.196 17719
4248 1 12 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.099 -0.149 17719
4249 1 12 . 1 1 43 43 ASN C C 62 176.700 176.700 175.248 1.452 17719
4250 1 12 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.684 0.816 17719
4251 1 12 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.797 0.103 17719
4252 1 12 . 1 1 43 43 ASN H H 62 7.380 7.380 7.604 -0.224 17719
4253 1 12 . 1 1 44 44 GLU N N 63 118.300 118.300 119.506 -1.206 17719
4254 1 12 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.090 -0.200 17719
4255 1 12 . 1 1 44 44 GLU C C 63 176.100 176.100 177.287 -1.187 17719
4256 1 12 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.271 0.429 17719
4257 1 12 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.608 1.192 17719
4258 1 12 . 1 1 44 44 GLU H H 63 9.310 9.310 8.832 0.478 17719
4259 1 12 . 1 1 45 45 CYS N N 64 121.400 121.400 121.255 0.145 17719
4260 1 12 . 1 1 45 45 CYS HA H 64 3.370 3.370 2.901 0.469 17719
4261 1 12 . 1 1 45 45 CYS C C 64 177.700 177.700 176.270 1.430 17719
4262 1 12 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.803 -1.703 17719
4263 1 12 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.232 10.168 17719
4264 1 12 . 1 1 45 45 CYS H H 64 8.270 8.270 8.421 -0.151 17719
4265 1 12 . 1 1 46 46 HIS N N 65 121.000 121.000 118.307 2.693 17719
4266 1 12 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.240 0.140 17719
4267 1 12 . 1 1 46 46 HIS C C 65 177.800 177.800 177.725 0.075 17719
4268 1 12 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.333 0.367 17719
4269 1 12 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.381 0.119 17719
4270 1 12 . 1 1 46 46 HIS H H 65 8.120 8.120 7.877 0.243 17719
4271 1 12 . 1 1 47 47 LEU N N 66 122.300 122.300 121.287 1.013 17719
4272 1 12 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.071 -0.221 17719
4273 1 12 . 1 1 47 47 LEU C C 66 178.300 178.300 177.617 0.683 17719
4274 1 12 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.359 1.141 17719
4275 1 12 . 1 1 47 47 LEU CB C 66 40.600 40.600 40.993 -0.393 17719
4276 1 12 . 1 1 47 47 LEU H H 66 7.630 7.630 7.622 0.008 17719
4277 1 12 . 1 1 48 48 CYS N N 67 117.500 117.500 118.791 -1.291 17719
4278 1 12 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.935 0.505 17719
4279 1 12 . 1 1 48 48 CYS C C 67 176.700 176.700 176.915 -0.215 17719
4280 1 12 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.230 -6.030 17719
4281 1 12 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.337 9.763 17719
4282 1 12 . 1 1 48 48 CYS H H 67 8.960 8.960 8.565 0.395 17719
4283 1 12 . 1 1 49 49 THR N N 68 118.000 118.000 117.876 0.124 17719
4284 1 12 . 1 1 49 49 THR HA H 68 3.800 3.800 3.846 -0.046 17719
4285 1 12 . 1 1 49 49 THR C C 68 175.400 175.400 176.570 -1.170 17719
4286 1 12 . 1 1 49 49 THR CA C 68 67.600 67.600 67.171 0.429 17719
4287 1 12 . 1 1 49 49 THR CB C 68 68.800 68.800 68.452 0.348 17719
4288 1 12 . 1 1 49 49 THR H H 68 8.330 8.330 8.391 -0.061 17719
4289 1 12 . 1 1 50 50 GLU N N 69 121.300 121.300 120.862 0.438 17719
4290 1 12 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.161 0.099 17719
4291 1 12 . 1 1 50 50 GLU C C 69 180.000 180.000 179.011 0.989 17719
4292 1 12 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.885 -0.685 17719
4293 1 12 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.354 -0.754 17719
4294 1 12 . 1 1 50 50 GLU H H 69 7.070 7.070 7.980 -0.910 17719
4295 1 12 . 1 1 51 51 SER N N 70 117.100 117.100 116.851 0.249 17719
4296 1 12 . 1 1 51 51 SER HA H 70 4.030 4.030 4.253 -0.223 17719
4297 1 12 . 1 1 51 51 SER C C 70 177.800 177.800 176.457 1.343 17719
4298 1 12 . 1 1 51 51 SER CA C 70 62.400 62.400 61.978 0.422 17719
4299 1 12 . 1 1 51 51 SER CB C 70 64.900 64.900 62.979 1.921 17719
4300 1 12 . 1 1 51 51 SER H H 70 9.040 9.040 8.035 1.005 17719
4301 1 12 . 1 1 52 52 LEU N N 71 119.100 119.100 121.024 -1.924 17719
4302 1 12 . 1 1 52 52 LEU HA H 71 4.200 4.200 3.995 0.205 17719
4303 1 12 . 1 1 52 52 LEU C C 71 181.400 181.400 179.384 2.016 17719
4304 1 12 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.773 0.127 17719
4305 1 12 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.633 -0.333 17719
4306 1 12 . 1 1 52 52 LEU H H 71 8.540 8.540 8.550 -0.010 17719
4307 1 12 . 1 1 53 53 LYS N N 72 121.700 121.700 120.112 1.588 17719
4308 1 12 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.078 -0.038 17719
4309 1 12 . 1 1 53 53 LYS C C 72 177.600 177.600 177.913 -0.313 17719
4310 1 12 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.948 0.852 17719
4311 1 12 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.640 0.460 17719
4312 1 12 . 1 1 53 53 LYS H H 72 8.380 8.380 8.099 0.281 17719
4313 1 12 . 1 1 54 54 SER N N 73 111.300 111.300 111.871 -0.571 17719
4314 1 12 . 1 1 54 54 SER HA H 73 4.600 4.600 4.500 0.100 17719
4315 1 12 . 1 1 54 54 SER C C 73 175.300 175.300 174.430 0.870 17719
4316 1 12 . 1 1 54 54 SER CA C 73 58.300 58.300 58.882 -0.582 17719
4317 1 12 . 1 1 54 54 SER CB C 73 64.700 64.700 63.986 0.713 17719
4318 1 12 . 1 1 54 54 SER H H 73 8.150 8.150 7.826 0.324 17719
4319 1 12 . 1 1 55 55 ASN N N 74 120.000 120.000 117.263 2.737 17719
4320 1 12 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.425 0.085 17719
4321 1 12 . 1 1 55 55 ASN C C 74 175.600 175.600 175.588 0.012 17719
4322 1 12 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.372 0.128 17719
4323 1 12 . 1 1 55 55 ASN CB C 74 37.100 37.100 37.121 -0.021 17719
4324 1 12 . 1 1 55 55 ASN H H 74 8.070 8.070 7.737 0.333 17719
4325 1 12 . 1 1 56 56 GLY N N 75 103.900 103.900 103.427 0.473 17719
4326 1 12 . 1 1 56 56 GLY C C 75 174.700 174.700 174.160 0.540 17719
4327 1 12 . 1 1 56 56 GLY CA C 75 45.000 45.000 44.985 0.015 17719
4328 1 12 . 1 1 56 56 GLY H H 75 8.970 8.970 8.598 0.372 17719
4329 1 12 . 1 1 57 57 ARG N N 76 122.200 122.200 121.130 1.070 17719
4330 1 12 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.207 -0.167 17719
4331 1 12 . 1 1 57 57 ARG C C 76 177.200 177.200 176.005 1.195 17719
4332 1 12 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.444 0.756 17719
4333 1 12 . 1 1 57 57 ARG CB C 76 30.400 30.400 31.073 -0.673 17719
4334 1 12 . 1 1 57 57 ARG H H 76 7.600 7.600 7.740 -0.140 17719
4335 1 12 . 1 1 58 58 VAL N N 77 117.000 117.000 119.874 -2.874 17719
4336 1 12 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.178 -0.468 17719
4337 1 12 . 1 1 58 58 VAL C C 77 174.500 174.500 174.133 0.367 17719
4338 1 12 . 1 1 58 58 VAL CA C 77 63.200 63.200 61.092 2.108 17719
4339 1 12 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.654 0.146 17719
4340 1 12 . 1 1 58 58 VAL H H 77 7.340 7.340 7.468 -0.128 17719
4341 1 12 . 1 1 59 59 GLN N N 78 125.000 125.000 127.319 -2.319 17719
4342 1 12 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.625 -0.145 17719
4343 1 12 . 1 1 59 59 GLN C C 78 174.900 174.900 174.679 0.221 17719
4344 1 12 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.830 -1.030 17719
4345 1 12 . 1 1 59 59 GLN CB C 78 32.600 32.600 31.401 1.199 17719
4346 1 12 . 1 1 59 59 GLN H H 78 8.510 8.510 7.933 0.577 17719
4347 1 12 . 1 1 60 60 PHE N N 79 121.400 121.400 121.139 0.261 17719
4348 1 12 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.397 -0.447 17719
4349 1 12 . 1 1 60 60 PHE C C 79 173.900 173.900 175.103 -1.203 17719
4350 1 12 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.318 0.982 17719
4351 1 12 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.352 0.548 17719
4352 1 12 . 1 1 60 60 PHE H H 79 9.050 9.050 8.622 0.428 17719
4353 1 12 . 1 1 61 61 LEU N N 80 128.900 128.900 128.819 0.081 17719
4354 1 12 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.297 0.223 17719
4355 1 12 . 1 1 61 61 LEU C C 80 175.700 175.700 174.950 0.750 17719
4356 1 12 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.251 0.749 17719
4357 1 12 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.842 0.558 17719
4358 1 12 . 1 1 61 61 LEU H H 80 8.270 8.270 8.638 -0.368 17719
4359 1 12 . 1 1 62 62 HIS N N 81 107.500 107.500 109.552 -2.052 17719
4360 1 12 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.604 -0.234 17719
4361 1 12 . 1 1 62 62 HIS C C 81 172.000 172.000 172.038 -0.038 17719
4362 1 12 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.939 1.161 17719
4363 1 12 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.735 -2.035 17719
4364 1 12 . 1 1 62 62 HIS H H 81 6.860 6.860 6.939 -0.079 17719
4365 1 12 . 1 1 63 63 ASP N N 82 120.900 120.900 120.210 0.690 17719
4366 1 12 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.278 0.622 17719
4367 1 12 . 1 1 63 63 ASP C C 82 178.500 178.500 176.910 1.590 17719
4368 1 12 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.226 0.374 17719
4369 1 12 . 1 1 63 63 ASP CB C 82 42.400 42.400 42.236 0.164 17719
4370 1 12 . 1 1 63 63 ASP H H 82 9.330 9.330 8.505 0.825 17719
4371 1 12 . 1 1 64 64 GLY N N 83 114.500 114.500 113.083 1.417 17719
4372 1 12 . 1 1 64 64 GLY C C 83 170.400 170.400 173.160 -2.760 17719
4373 1 12 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.408 0.492 17719
4374 1 12 . 1 1 64 64 GLY H H 83 8.330 8.330 8.528 -0.198 17719
4375 1 12 . 1 1 65 65 SER N N 84 107.400 107.400 115.922 -8.522 17719
4376 1 12 . 1 1 65 65 SER HA H 84 4.140 4.140 4.340 -0.200 17719
4377 1 12 . 1 1 65 65 SER C C 84 176.400 176.400 175.433 0.967 17719
4378 1 12 . 1 1 65 65 SER CA C 84 58.300 58.300 59.383 -1.083 17719
4379 1 12 . 1 1 65 65 SER CB C 84 63.900 63.900 63.777 0.123 17719
4380 1 12 . 1 1 65 65 SER H H 84 7.870 7.870 8.026 -0.156 17719
4381 1 13 . 1 1 2 2 GLU N N 21 121.800 121.800 122.634 -0.834 17719
4382 1 13 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.254 0.136 17719
4383 1 13 . 1 1 2 2 GLU C C 21 176.100 176.100 176.290 -0.190 17719
4384 1 13 . 1 1 2 2 GLU CA C 21 56.200 56.200 57.469 -1.269 17719
4385 1 13 . 1 1 2 2 GLU CB C 21 30.300 30.300 29.951 0.348 17719
4386 1 13 . 1 1 2 2 GLU H H 21 8.860 8.860 8.664 0.196 17719
4387 1 13 . 1 1 3 3 ALA N N 22 126.000 126.000 122.329 3.671 17719
4388 1 13 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.488 -0.218 17719
4389 1 13 . 1 1 3 3 ALA C C 22 177.700 177.700 176.248 1.452 17719
4390 1 13 . 1 1 3 3 ALA CA C 22 52.600 52.600 51.071 1.529 17719
4391 1 13 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.962 -0.862 17719
4392 1 13 . 1 1 3 3 ALA H H 22 8.550 8.550 7.680 0.870 17719
4393 1 13 . 1 1 4 4 ALA N N 23 123.600 123.600 126.070 -2.470 17719
4394 1 13 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.435 -0.125 17719
4395 1 13 . 1 1 4 4 ALA C C 23 177.900 177.900 177.121 0.779 17719
4396 1 13 . 1 1 4 4 ALA CA C 23 52.600 52.600 51.422 1.178 17719
4397 1 13 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.481 -0.381 17719
4398 1 13 . 1 1 4 4 ALA H H 23 8.400 8.400 8.818 -0.418 17719
4399 1 13 . 1 1 5 5 SER N N 24 115.100 115.100 113.973 1.127 17719
4400 1 13 . 1 1 5 5 SER HA H 24 4.440 4.440 4.179 0.261 17719
4401 1 13 . 1 1 5 5 SER C C 24 174.500 174.500 175.055 -0.555 17719
4402 1 13 . 1 1 5 5 SER CA C 24 58.200 58.200 60.911 -2.711 17719
4403 1 13 . 1 1 5 5 SER CB C 24 63.800 63.800 61.606 2.194 17719
4404 1 13 . 1 1 5 5 SER H H 24 8.300 8.300 8.402 -0.102 17719
4405 1 13 . 1 1 6 6 LEU N N 25 124.200 124.200 124.209 -0.009 17719
4406 1 13 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.390 0.040 17719
4407 1 13 . 1 1 6 6 LEU C C 25 177.300 177.300 176.795 0.505 17719
4408 1 13 . 1 1 6 6 LEU CA C 25 55.100 55.100 56.033 -0.933 17719
4409 1 13 . 1 1 6 6 LEU CB C 25 42.400 42.400 42.351 0.049 17719
4410 1 13 . 1 1 6 6 LEU H H 25 8.320 8.320 8.027 0.293 17719
4411 1 13 . 1 1 7 7 SER N N 26 118.100 118.100 113.325 4.775 17719
4412 1 13 . 1 1 7 7 SER HA H 26 4.780 4.780 4.868 -0.088 17719
4413 1 13 . 1 1 7 7 SER C C 26 172.500 172.500 171.829 0.671 17719
4414 1 13 . 1 1 7 7 SER CA C 26 56.400 56.400 55.825 0.575 17719
4415 1 13 . 1 1 7 7 SER CB C 26 63.300 63.300 65.161 -1.861 17719
4416 1 13 . 1 1 7 7 SER H H 26 8.330 8.330 7.483 0.847 17719
4417 1 13 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.697 -0.227 17719
4418 1 13 . 1 1 8 8 PRO C C 27 176.600 176.600 176.828 -0.228 17719
4419 1 13 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.181 0.819 17719
4420 1 13 . 1 1 8 8 PRO CB C 27 32.400 32.400 33.070 -0.670 17719
4421 1 13 . 1 1 9 9 LYS N N 28 122.600 122.600 121.153 1.447 17719
4422 1 13 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.290 -0.070 17719
4423 1 13 . 1 1 9 9 LYS C C 28 175.600 175.600 175.635 -0.035 17719
4424 1 13 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.015 0.485 17719
4425 1 13 . 1 1 9 9 LYS CB C 28 33.100 33.100 31.636 1.464 17719
4426 1 13 . 1 1 9 9 LYS H H 28 8.410 8.410 8.460 -0.050 17719
4427 1 13 . 1 1 10 10 LYS N N 29 123.700 123.700 124.515 -0.815 17719
4428 1 13 . 1 1 10 10 LYS HA H 29 4.320 4.320 2.950 1.370 17719
4429 1 13 . 1 1 10 10 LYS C C 29 175.800 175.800 175.896 -0.096 17719
4430 1 13 . 1 1 10 10 LYS CA C 29 55.300 55.300 55.304 -0.004 17719
4431 1 13 . 1 1 10 10 LYS CB C 29 33.900 33.900 33.220 0.680 17719
4432 1 13 . 1 1 10 10 LYS H H 29 8.290 8.290 8.000 0.290 17719
4433 1 13 . 1 1 11 11 VAL N N 30 122.800 122.800 123.525 -0.725 17719
4434 1 13 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.788 0.042 17719
4435 1 13 . 1 1 11 11 VAL C C 30 174.400 174.400 174.839 -0.439 17719
4436 1 13 . 1 1 11 11 VAL CA C 30 62.200 62.200 63.222 -1.022 17719
4437 1 13 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.642 0.758 17719
4438 1 13 . 1 1 11 11 VAL H H 30 8.010 8.010 7.391 0.619 17719
4439 1 13 . 1 1 12 12 ASP N N 31 126.200 126.200 127.623 -1.423 17719
4440 1 13 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.572 0.248 17719
4441 1 13 . 1 1 12 12 ASP C C 31 176.800 176.800 175.269 1.531 17719
4442 1 13 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.516 -2.316 17719
4443 1 13 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.129 0.871 17719
4444 1 13 . 1 1 12 12 ASP H H 31 8.580 8.580 8.658 -0.078 17719
4445 1 13 . 1 1 13 13 CYS N N 32 121.600 121.600 124.696 -3.096 17719
4446 1 13 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.937 0.113 17719
4447 1 13 . 1 1 13 13 CYS C C 32 176.800 176.800 176.243 0.557 17719
4448 1 13 . 1 1 13 13 CYS CA C 32 53.400 53.400 57.779 -4.378 17719
4449 1 13 . 1 1 13 13 CYS CB C 32 33.400 33.400 28.284 5.116 17719
4450 1 13 . 1 1 13 13 CYS H H 32 9.070 9.070 8.628 0.442 17719
4451 1 13 . 1 1 14 14 SER N N 33 118.000 118.000 118.130 -0.130 17719
4452 1 13 . 1 1 14 14 SER HA H 33 4.030 4.030 4.249 -0.219 17719
4453 1 13 . 1 1 14 14 SER C C 33 177.100 177.100 176.916 0.184 17719
4454 1 13 . 1 1 14 14 SER CA C 33 62.400 62.400 61.966 0.434 17719
4455 1 13 . 1 1 14 14 SER CB C 33 62.600 62.600 62.898 -0.298 17719
4456 1 13 . 1 1 14 14 SER H H 33 8.760 8.760 7.821 0.939 17719
4457 1 13 . 1 1 15 15 ILE N N 34 117.700 117.700 116.475 1.225 17719
4458 1 13 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.801 0.189 17719
4459 1 13 . 1 1 15 15 ILE C C 34 176.600 176.600 175.988 0.612 17719
4460 1 13 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.086 -0.586 17719
4461 1 13 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.300 0.100 17719
4462 1 13 . 1 1 15 15 ILE H H 34 7.200 7.200 9.067 -1.867 17719
4463 1 13 . 1 1 16 16 TYR N N 35 118.000 118.000 117.827 0.173 17719
4464 1 13 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.810 -0.200 17719
4465 1 13 . 1 1 16 16 TYR C C 35 176.300 176.300 177.259 -0.959 17719
4466 1 13 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.795 -0.995 17719
4467 1 13 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.627 -1.028 17719
4468 1 13 . 1 1 16 16 TYR H H 35 7.470 7.470 7.374 0.096 17719
4469 1 13 . 1 1 17 17 LYS N N 36 119.200 119.200 118.800 0.400 17719
4470 1 13 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.216 0.014 17719
4471 1 13 . 1 1 17 17 LYS C C 36 176.300 176.300 177.132 -0.832 17719
4472 1 13 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.149 0.551 17719
4473 1 13 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.403 -0.103 17719
4474 1 13 . 1 1 17 17 LYS H H 36 7.590 7.590 7.576 0.014 17719
4475 1 13 . 1 1 18 18 LYS N N 37 115.100 115.100 115.313 -0.213 17719
4476 1 13 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.055 0.095 17719
4477 1 13 . 1 1 18 18 LYS C C 37 175.500 175.500 176.387 -0.887 17719
4478 1 13 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.980 -0.280 17719
4479 1 13 . 1 1 18 18 LYS CB C 37 31.700 31.700 31.869 -0.169 17719
4480 1 13 . 1 1 18 18 LYS H H 37 7.410 7.410 7.795 -0.385 17719
4481 1 13 . 1 1 19 19 TYR N N 38 120.200 120.200 121.061 -0.861 17719
4482 1 13 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.795 0.015 17719
4483 1 13 . 1 1 19 19 TYR C C 38 173.600 173.600 173.643 -0.043 17719
4484 1 13 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.698 1.802 17719
4485 1 13 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.861 0.339 17719
4486 1 13 . 1 1 19 19 TYR H H 38 7.390 7.390 7.500 -0.110 17719
4487 1 13 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.474 0.106 17719
4488 1 13 . 1 1 20 20 PRO C C 39 179.000 179.000 177.809 1.191 17719
4489 1 13 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.722 0.378 17719
4490 1 13 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.756 -1.056 17719
4491 1 13 . 1 1 21 21 VAL N N 40 123.200 123.200 122.647 0.553 17719
4492 1 13 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.743 0.277 17719
4493 1 13 . 1 1 21 21 VAL C C 40 176.400 176.400 177.596 -1.196 17719
4494 1 13 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.394 -0.694 17719
4495 1 13 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.508 0.492 17719
4496 1 13 . 1 1 21 21 VAL H H 40 8.400 8.400 8.442 -0.042 17719
4497 1 13 . 1 1 22 22 VAL N N 41 110.600 110.600 115.438 -4.838 17719
4498 1 13 . 1 1 22 22 VAL HA H 41 4.210 4.210 3.962 0.248 17719
4499 1 13 . 1 1 22 22 VAL C C 41 175.600 175.600 175.453 0.147 17719
4500 1 13 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.355 -1.855 17719
4501 1 13 . 1 1 22 22 VAL CB C 41 31.800 31.800 32.010 -0.210 17719
4502 1 13 . 1 1 22 22 VAL H H 41 7.140 7.140 7.854 -0.714 17719
4503 1 13 . 1 1 23 23 ALA N N 42 126.600 126.600 123.211 3.389 17719
4504 1 13 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.575 -0.085 17719
4505 1 13 . 1 1 23 23 ALA C C 42 175.700 175.700 175.907 -0.207 17719
4506 1 13 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.009 0.391 17719
4507 1 13 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.500 -0.400 17719
4508 1 13 . 1 1 23 23 ALA H H 42 8.280 8.280 7.390 0.890 17719
4509 1 13 . 1 1 24 24 ILE N N 43 123.300 123.300 123.998 -0.698 17719
4510 1 13 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.251 -0.411 17719
4511 1 13 . 1 1 24 24 ILE C C 43 174.900 174.900 173.491 1.409 17719
4512 1 13 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.773 1.727 17719
4513 1 13 . 1 1 24 24 ILE CB C 43 39.000 39.000 39.986 -0.986 17719
4514 1 13 . 1 1 24 24 ILE H H 43 7.970 7.970 7.970 -0.000 17719
4515 1 13 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.317 0.163 17719
4516 1 13 . 1 1 25 25 PRO C C 44 175.900 175.900 175.740 0.160 17719
4517 1 13 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.462 -0.662 17719
4518 1 13 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.634 -1.234 17719
4519 1 13 . 1 1 26 26 CYS N N 45 120.500 120.500 122.761 -2.261 17719
4520 1 13 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.632 0.758 17719
4521 1 13 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.336 -6.436 17719
4522 1 13 . 1 1 26 26 CYS CB C 45 35.400 35.400 27.950 7.450 17719
4523 1 13 . 1 1 26 26 CYS H H 45 8.290 8.290 8.358 -0.068 17719
4524 1 13 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.593 0.057 17719
4525 1 13 . 1 1 27 27 PRO C C 46 177.000 177.000 176.637 0.363 17719
4526 1 13 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.818 -0.418 17719
4527 1 13 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.513 0.388 17719
4528 1 13 . 1 1 28 28 ILE N N 47 116.600 116.600 113.182 3.418 17719
4529 1 13 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.329 0.031 17719
4530 1 13 . 1 1 28 28 ILE C C 47 176.200 176.200 175.977 0.223 17719
4531 1 13 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.625 -0.325 17719
4532 1 13 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.879 0.121 17719
4533 1 13 . 1 1 28 28 ILE H H 47 8.590 8.590 8.184 0.406 17719
4534 1 13 . 1 1 29 29 THR N N 48 114.700 114.700 118.174 -3.474 17719
4535 1 13 . 1 1 29 29 THR HA H 48 3.890 3.890 4.342 -0.452 17719
4536 1 13 . 1 1 29 29 THR C C 48 173.200 173.200 173.319 -0.119 17719
4537 1 13 . 1 1 29 29 THR CA C 48 62.600 62.600 62.657 -0.057 17719
4538 1 13 . 1 1 29 29 THR CB C 48 70.000 70.000 69.191 0.810 17719
4539 1 13 . 1 1 29 29 THR H H 48 7.130 7.130 7.607 -0.477 17719
4540 1 13 . 1 1 30 30 TYR N N 49 129.100 129.100 128.162 0.938 17719
4541 1 13 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.654 0.306 17719
4542 1 13 . 1 1 30 30 TYR C C 49 173.900 173.900 174.861 -0.961 17719
4543 1 13 . 1 1 30 30 TYR CA C 49 57.600 57.600 58.136 -0.536 17719
4544 1 13 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.169 -1.169 17719
4545 1 13 . 1 1 30 30 TYR H H 49 9.020 9.020 8.614 0.406 17719
4546 1 13 . 1 1 31 31 LEU N N 50 131.700 131.700 130.370 1.330 17719
4547 1 13 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.798 -0.238 17719
4548 1 13 . 1 1 31 31 LEU C C 50 172.200 172.200 174.397 -2.197 17719
4549 1 13 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.410 1.190 17719
4550 1 13 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.273 -1.373 17719
4551 1 13 . 1 1 31 31 LEU H H 50 8.600 8.600 8.606 -0.006 17719
4552 1 13 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.787 -0.347 17719
4553 1 13 . 1 1 32 32 PRO C C 51 176.800 176.800 176.297 0.503 17719
4554 1 13 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.407 0.293 17719
4555 1 13 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.296 1.604 17719
4556 1 13 . 1 1 33 33 VAL N N 52 110.700 110.700 119.312 -8.612 17719
4557 1 13 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.548 0.172 17719
4558 1 13 . 1 1 33 33 VAL C C 52 172.600 172.600 173.957 -1.357 17719
4559 1 13 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.840 -0.240 17719
4560 1 13 . 1 1 33 33 VAL CB C 52 35.700 35.700 34.941 0.759 17719
4561 1 13 . 1 1 33 33 VAL H H 52 8.230 8.230 8.436 -0.206 17719
4562 1 13 . 1 1 34 34 CYS N N 53 122.200 122.200 123.539 -1.339 17719
4563 1 13 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.040 0.050 17719
4564 1 13 . 1 1 34 34 CYS C C 53 175.600 175.600 174.597 1.003 17719
4565 1 13 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.437 -1.937 17719
4566 1 13 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.161 11.139 17719
4567 1 13 . 1 1 34 34 CYS H H 53 8.550 8.550 8.447 0.103 17719
4568 1 13 . 1 1 35 35 GLY N N 54 115.900 115.900 113.732 2.168 17719
4569 1 13 . 1 1 35 35 GLY C C 54 174.500 174.500 175.260 -0.760 17719
4570 1 13 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.983 0.717 17719
4571 1 13 . 1 1 35 35 GLY H H 54 9.060 9.060 9.007 0.053 17719
4572 1 13 . 1 1 36 36 SER N N 55 113.400 113.400 117.495 -4.095 17719
4573 1 13 . 1 1 36 36 SER HA H 55 3.760 3.760 3.987 -0.227 17719
4574 1 13 . 1 1 36 36 SER C C 55 173.300 173.300 174.729 -1.429 17719
4575 1 13 . 1 1 36 36 SER CA C 55 60.400 60.400 61.590 -1.190 17719
4576 1 13 . 1 1 36 36 SER CB C 55 62.300 62.300 63.013 -0.713 17719
4577 1 13 . 1 1 36 36 SER H H 55 9.270 9.270 8.683 0.587 17719
4578 1 13 . 1 1 37 37 ASP N N 56 121.100 121.100 119.502 1.598 17719
4579 1 13 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.567 -0.227 17719
4580 1 13 . 1 1 37 37 ASP C C 56 175.600 175.600 175.817 -0.217 17719
4581 1 13 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.788 -0.688 17719
4582 1 13 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.385 -0.785 17719
4583 1 13 . 1 1 37 37 ASP H H 56 9.150 9.150 8.205 0.945 17719
4584 1 13 . 1 1 38 38 TYR N N 57 116.100 116.100 114.155 1.945 17719
4585 1 13 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.143 -0.133 17719
4586 1 13 . 1 1 38 38 TYR C C 57 174.700 174.700 174.382 0.318 17719
4587 1 13 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.035 1.965 17719
4588 1 13 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.631 -1.331 17719
4589 1 13 . 1 1 38 38 TYR H H 57 8.630 8.630 7.657 0.973 17719
4590 1 13 . 1 1 39 39 ILE N N 58 120.700 120.700 121.010 -0.310 17719
4591 1 13 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.149 -0.139 17719
4592 1 13 . 1 1 39 39 ILE C C 58 174.900 174.900 175.620 -0.720 17719
4593 1 13 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.485 -0.185 17719
4594 1 13 . 1 1 39 39 ILE CB C 58 37.600 37.600 37.608 -0.008 17719
4595 1 13 . 1 1 39 39 ILE H H 58 7.480 7.480 7.452 0.028 17719
4596 1 13 . 1 1 40 40 THR N N 59 123.700 123.700 123.982 -0.282 17719
4597 1 13 . 1 1 40 40 THR HA H 59 4.670 4.670 4.598 0.072 17719
4598 1 13 . 1 1 40 40 THR C C 59 174.800 174.800 173.571 1.229 17719
4599 1 13 . 1 1 40 40 THR CA C 59 62.700 62.700 62.769 -0.069 17719
4600 1 13 . 1 1 40 40 THR CB C 59 68.900 68.900 69.467 -0.567 17719
4601 1 13 . 1 1 40 40 THR H H 59 8.090 8.090 8.433 -0.343 17719
4602 1 13 . 1 1 41 41 TYR N N 60 129.700 129.700 126.508 3.192 17719
4603 1 13 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.626 -0.216 17719
4604 1 13 . 1 1 41 41 TYR C C 60 177.200 177.200 176.664 0.536 17719
4605 1 13 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.226 0.974 17719
4606 1 13 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.586 1.214 17719
4607 1 13 . 1 1 41 41 TYR H H 60 9.550 9.550 9.158 0.392 17719
4608 1 13 . 1 1 42 42 GLY N N 61 107.800 107.800 108.709 -0.909 17719
4609 1 13 . 1 1 42 42 GLY C C 61 172.800 172.800 172.589 0.211 17719
4610 1 13 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.624 2.076 17719
4611 1 13 . 1 1 42 42 GLY H H 61 9.310 9.310 8.958 0.352 17719
4612 1 13 . 1 1 43 43 ASN N N 62 104.600 104.600 112.882 -8.282 17719
4613 1 13 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.039 -0.089 17719
4614 1 13 . 1 1 43 43 ASN C C 62 176.700 176.700 175.508 1.192 17719
4615 1 13 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.771 0.729 17719
4616 1 13 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.242 0.658 17719
4617 1 13 . 1 1 43 43 ASN H H 62 7.380 7.380 7.657 -0.277 17719
4618 1 13 . 1 1 44 44 GLU N N 63 118.300 118.300 120.314 -2.014 17719
4619 1 13 . 1 1 44 44 GLU HA H 63 3.890 3.890 3.796 0.094 17719
4620 1 13 . 1 1 44 44 GLU C C 63 176.100 176.100 177.524 -1.424 17719
4621 1 13 . 1 1 44 44 GLU CA C 63 59.700 59.700 60.189 -0.489 17719
4622 1 13 . 1 1 44 44 GLU CB C 63 29.800 29.800 29.337 0.463 17719
4623 1 13 . 1 1 44 44 GLU H H 63 9.310 9.310 8.719 0.591 17719
4624 1 13 . 1 1 45 45 CYS N N 64 121.400 121.400 119.342 2.058 17719
4625 1 13 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.261 0.109 17719
4626 1 13 . 1 1 45 45 CYS C C 64 177.700 177.700 176.590 1.110 17719
4627 1 13 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.884 -1.784 17719
4628 1 13 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.368 10.032 17719
4629 1 13 . 1 1 45 45 CYS H H 64 8.270 8.270 7.616 0.654 17719
4630 1 13 . 1 1 46 46 HIS N N 65 121.000 121.000 118.361 2.639 17719
4631 1 13 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.265 0.115 17719
4632 1 13 . 1 1 46 46 HIS C C 65 177.800 177.800 177.394 0.406 17719
4633 1 13 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.197 0.503 17719
4634 1 13 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.387 0.113 17719
4635 1 13 . 1 1 46 46 HIS H H 65 8.120 8.120 7.525 0.595 17719
4636 1 13 . 1 1 47 47 LEU N N 66 122.300 122.300 120.980 1.320 17719
4637 1 13 . 1 1 47 47 LEU HA H 66 2.850 2.850 2.931 -0.081 17719
4638 1 13 . 1 1 47 47 LEU C C 66 178.300 178.300 177.609 0.691 17719
4639 1 13 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.223 1.277 17719
4640 1 13 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.072 -0.472 17719
4641 1 13 . 1 1 47 47 LEU H H 66 7.630 7.630 7.588 0.042 17719
4642 1 13 . 1 1 48 48 CYS N N 67 117.500 117.500 118.319 -0.819 17719
4643 1 13 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.964 0.476 17719
4644 1 13 . 1 1 48 48 CYS C C 67 176.700 176.700 177.025 -0.325 17719
4645 1 13 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.684 -5.484 17719
4646 1 13 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.006 10.095 17719
4647 1 13 . 1 1 48 48 CYS H H 67 8.960 8.960 8.454 0.506 17719
4648 1 13 . 1 1 49 49 THR N N 68 118.000 118.000 117.522 0.478 17719
4649 1 13 . 1 1 49 49 THR HA H 68 3.800 3.800 3.834 -0.034 17719
4650 1 13 . 1 1 49 49 THR C C 68 175.400 175.400 176.726 -1.326 17719
4651 1 13 . 1 1 49 49 THR CA C 68 67.600 67.600 67.211 0.389 17719
4652 1 13 . 1 1 49 49 THR CB C 68 68.800 68.800 68.508 0.292 17719
4653 1 13 . 1 1 49 49 THR H H 68 8.330 8.330 8.265 0.065 17719
4654 1 13 . 1 1 50 50 GLU N N 69 121.300 121.300 120.439 0.861 17719
4655 1 13 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.114 0.146 17719
4656 1 13 . 1 1 50 50 GLU C C 69 180.000 180.000 178.920 1.080 17719
4657 1 13 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.842 -0.642 17719
4658 1 13 . 1 1 50 50 GLU CB C 69 28.600 28.600 28.807 -0.207 17719
4659 1 13 . 1 1 50 50 GLU H H 69 7.070 7.070 7.756 -0.686 17719
4660 1 13 . 1 1 51 51 SER N N 70 117.100 117.100 116.620 0.480 17719
4661 1 13 . 1 1 51 51 SER HA H 70 4.030 4.030 4.435 -0.405 17719
4662 1 13 . 1 1 51 51 SER C C 70 177.800 177.800 176.575 1.225 17719
4663 1 13 . 1 1 51 51 SER CA C 70 62.400 62.400 61.598 0.802 17719
4664 1 13 . 1 1 51 51 SER CB C 70 64.900 64.900 62.966 1.934 17719
4665 1 13 . 1 1 51 51 SER H H 70 9.040 9.040 8.087 0.953 17719
4666 1 13 . 1 1 52 52 LEU N N 71 119.100 119.100 120.738 -1.638 17719
4667 1 13 . 1 1 52 52 LEU HA H 71 4.200 4.200 3.983 0.217 17719
4668 1 13 . 1 1 52 52 LEU C C 71 181.400 181.400 179.157 2.243 17719
4669 1 13 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.649 0.251 17719
4670 1 13 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.674 -0.374 17719
4671 1 13 . 1 1 52 52 LEU H H 71 8.540 8.540 8.258 0.282 17719
4672 1 13 . 1 1 53 53 LYS N N 72 121.700 121.700 121.279 0.421 17719
4673 1 13 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.019 0.021 17719
4674 1 13 . 1 1 53 53 LYS C C 72 177.600 177.600 178.052 -0.452 17719
4675 1 13 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.106 0.694 17719
4676 1 13 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.601 0.499 17719
4677 1 13 . 1 1 53 53 LYS H H 72 8.380 8.380 8.359 0.021 17719
4678 1 13 . 1 1 54 54 SER N N 73 111.300 111.300 114.320 -3.020 17719
4679 1 13 . 1 1 54 54 SER HA H 73 4.600 4.600 4.739 -0.139 17719
4680 1 13 . 1 1 54 54 SER C C 73 175.300 175.300 173.540 1.760 17719
4681 1 13 . 1 1 54 54 SER CA C 73 58.300 58.300 57.935 0.365 17719
4682 1 13 . 1 1 54 54 SER CB C 73 64.700 64.700 62.398 2.301 17719
4683 1 13 . 1 1 54 54 SER H H 73 8.150 8.150 8.101 0.049 17719
4684 1 13 . 1 1 55 55 ASN N N 74 120.000 120.000 116.640 3.360 17719
4685 1 13 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.382 0.128 17719
4686 1 13 . 1 1 55 55 ASN C C 74 175.600 175.600 175.787 -0.187 17719
4687 1 13 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.085 0.415 17719
4688 1 13 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.780 0.320 17719
4689 1 13 . 1 1 55 55 ASN H H 74 8.070 8.070 8.032 0.038 17719
4690 1 13 . 1 1 56 56 GLY N N 75 103.900 103.900 105.062 -1.162 17719
4691 1 13 . 1 1 56 56 GLY C C 75 174.700 174.700 173.853 0.847 17719
4692 1 13 . 1 1 56 56 GLY CA C 75 45.000 45.000 44.745 0.255 17719
4693 1 13 . 1 1 56 56 GLY H H 75 8.970 8.970 8.524 0.446 17719
4694 1 13 . 1 1 57 57 ARG N N 76 122.200 122.200 120.148 2.052 17719
4695 1 13 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.098 -0.058 17719
4696 1 13 . 1 1 57 57 ARG C C 76 177.200 177.200 175.842 1.358 17719
4697 1 13 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.571 0.629 17719
4698 1 13 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.817 -0.416 17719
4699 1 13 . 1 1 57 57 ARG H H 76 7.600 7.600 8.090 -0.490 17719
4700 1 13 . 1 1 58 58 VAL N N 77 117.000 117.000 117.825 -0.825 17719
4701 1 13 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.266 -0.556 17719
4702 1 13 . 1 1 58 58 VAL C C 77 174.500 174.500 173.865 0.635 17719
4703 1 13 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.447 2.753 17719
4704 1 13 . 1 1 58 58 VAL CB C 77 32.800 32.800 33.377 -0.577 17719
4705 1 13 . 1 1 58 58 VAL H H 77 7.340 7.340 7.960 -0.620 17719
4706 1 13 . 1 1 59 59 GLN N N 78 125.000 125.000 127.147 -2.147 17719
4707 1 13 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.709 -0.229 17719
4708 1 13 . 1 1 59 59 GLN C C 78 174.900 174.900 174.516 0.384 17719
4709 1 13 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.884 -0.084 17719
4710 1 13 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.878 -0.278 17719
4711 1 13 . 1 1 59 59 GLN H H 78 8.510 8.510 8.402 0.108 17719
4712 1 13 . 1 1 60 60 PHE N N 79 121.400 121.400 121.454 -0.054 17719
4713 1 13 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.322 -0.372 17719
4714 1 13 . 1 1 60 60 PHE C C 79 173.900 173.900 175.061 -1.161 17719
4715 1 13 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.860 0.440 17719
4716 1 13 . 1 1 60 60 PHE CB C 79 39.900 39.900 38.879 1.021 17719
4717 1 13 . 1 1 60 60 PHE H H 79 9.050 9.050 8.737 0.313 17719
4718 1 13 . 1 1 61 61 LEU N N 80 128.900 128.900 129.672 -0.772 17719
4719 1 13 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.214 0.306 17719
4720 1 13 . 1 1 61 61 LEU C C 80 175.700 175.700 175.563 0.137 17719
4721 1 13 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.392 0.608 17719
4722 1 13 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.231 1.169 17719
4723 1 13 . 1 1 61 61 LEU H H 80 8.270 8.270 8.720 -0.450 17719
4724 1 13 . 1 1 62 62 HIS N N 81 107.500 107.500 110.940 -3.440 17719
4725 1 13 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.242 0.128 17719
4726 1 13 . 1 1 62 62 HIS C C 81 172.000 172.000 172.304 -0.304 17719
4727 1 13 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.506 1.594 17719
4728 1 13 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.063 -1.363 17719
4729 1 13 . 1 1 62 62 HIS H H 81 6.860 6.860 7.013 -0.153 17719
4730 1 13 . 1 1 63 63 ASP N N 82 120.900 120.900 118.634 2.266 17719
4731 1 13 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.356 0.544 17719
4732 1 13 . 1 1 63 63 ASP C C 82 178.500 178.500 176.862 1.638 17719
4733 1 13 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.235 1.365 17719
4734 1 13 . 1 1 63 63 ASP CB C 82 42.400 42.400 42.099 0.301 17719
4735 1 13 . 1 1 63 63 ASP H H 82 9.330 9.330 8.450 0.880 17719
4736 1 13 . 1 1 64 64 GLY N N 83 114.500 114.500 110.097 4.403 17719
4737 1 13 . 1 1 64 64 GLY C C 83 170.400 170.400 173.508 -3.108 17719
4738 1 13 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.583 0.317 17719
4739 1 13 . 1 1 64 64 GLY H H 83 8.330 8.330 8.648 -0.318 17719
4740 1 13 . 1 1 65 65 SER N N 84 107.400 107.400 116.152 -8.752 17719
4741 1 13 . 1 1 65 65 SER HA H 84 4.140 4.140 4.453 -0.313 17719
4742 1 13 . 1 1 65 65 SER C C 84 176.400 176.400 175.527 0.873 17719
4743 1 13 . 1 1 65 65 SER CA C 84 58.300 58.300 58.132 0.168 17719
4744 1 13 . 1 1 65 65 SER CB C 84 63.900 63.900 63.880 0.020 17719
4745 1 13 . 1 1 65 65 SER H H 84 7.870 7.870 8.024 -0.154 17719
4746 1 14 . 1 1 2 2 GLU N N 21 121.800 121.800 123.974 -2.174 17719
4747 1 14 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.373 0.017 17719
4748 1 14 . 1 1 2 2 GLU C C 21 176.100 176.100 176.743 -0.643 17719
4749 1 14 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.278 -0.078 17719
4750 1 14 . 1 1 2 2 GLU CB C 21 30.300 30.300 29.776 0.524 17719
4751 1 14 . 1 1 2 2 GLU H H 21 8.860 8.860 8.403 0.457 17719
4752 1 14 . 1 1 3 3 ALA N N 22 126.000 126.000 124.525 1.475 17719
4753 1 14 . 1 1 3 3 ALA HA H 22 4.270 4.270 3.996 0.274 17719
4754 1 14 . 1 1 3 3 ALA C C 22 177.700 177.700 176.546 1.154 17719
4755 1 14 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.475 0.125 17719
4756 1 14 . 1 1 3 3 ALA CB C 22 19.100 19.100 18.374 0.726 17719
4757 1 14 . 1 1 3 3 ALA H H 22 8.550 8.550 8.530 0.020 17719
4758 1 14 . 1 1 4 4 ALA N N 23 123.600 123.600 124.795 -1.195 17719
4759 1 14 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.305 0.005 17719
4760 1 14 . 1 1 4 4 ALA C C 23 177.900 177.900 177.104 0.796 17719
4761 1 14 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.051 0.549 17719
4762 1 14 . 1 1 4 4 ALA CB C 23 19.100 19.100 18.907 0.193 17719
4763 1 14 . 1 1 4 4 ALA H H 23 8.400 8.400 8.335 0.064 17719
4764 1 14 . 1 1 5 5 SER N N 24 115.100 115.100 118.476 -3.376 17719
4765 1 14 . 1 1 5 5 SER HA H 24 4.440 4.440 4.682 -0.242 17719
4766 1 14 . 1 1 5 5 SER C C 24 174.500 174.500 173.622 0.878 17719
4767 1 14 . 1 1 5 5 SER CA C 24 58.200 58.200 57.772 0.428 17719
4768 1 14 . 1 1 5 5 SER CB C 24 63.800 63.800 65.414 -1.614 17719
4769 1 14 . 1 1 5 5 SER H H 24 8.300 8.300 8.396 -0.096 17719
4770 1 14 . 1 1 6 6 LEU N N 25 124.200 124.200 123.815 0.385 17719
4771 1 14 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.478 -0.048 17719
4772 1 14 . 1 1 6 6 LEU C C 25 177.300 177.300 176.571 0.729 17719
4773 1 14 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.376 -0.276 17719
4774 1 14 . 1 1 6 6 LEU CB C 25 42.400 42.400 42.303 0.097 17719
4775 1 14 . 1 1 6 6 LEU H H 25 8.320 8.320 8.474 -0.154 17719
4776 1 14 . 1 1 7 7 SER N N 26 118.100 118.100 119.074 -0.974 17719
4777 1 14 . 1 1 7 7 SER HA H 26 4.780 4.780 4.710 0.070 17719
4778 1 14 . 1 1 7 7 SER C C 26 172.500 172.500 172.824 -0.324 17719
4779 1 14 . 1 1 7 7 SER CA C 26 56.400 56.400 56.986 -0.586 17719
4780 1 14 . 1 1 7 7 SER CB C 26 63.300 63.300 64.119 -0.819 17719
4781 1 14 . 1 1 7 7 SER H H 26 8.330 8.330 8.215 0.115 17719
4782 1 14 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.434 0.036 17719
4783 1 14 . 1 1 8 8 PRO C C 27 176.600 176.600 175.450 1.150 17719
4784 1 14 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.929 0.071 17719
4785 1 14 . 1 1 8 8 PRO CB C 27 32.400 32.400 30.530 1.870 17719
4786 1 14 . 1 1 9 9 LYS N N 28 122.600 122.600 121.588 1.012 17719
4787 1 14 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.319 -0.099 17719
4788 1 14 . 1 1 9 9 LYS C C 28 175.600 175.600 176.122 -0.522 17719
4789 1 14 . 1 1 9 9 LYS CA C 28 56.500 56.500 55.602 0.898 17719
4790 1 14 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.824 -0.724 17719
4791 1 14 . 1 1 9 9 LYS H H 28 8.410 8.410 7.837 0.573 17719
4792 1 14 . 1 1 10 10 LYS N N 29 123.700 123.700 124.384 -0.684 17719
4793 1 14 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.156 0.164 17719
4794 1 14 . 1 1 10 10 LYS C C 29 175.800 175.800 176.160 -0.360 17719
4795 1 14 . 1 1 10 10 LYS CA C 29 55.300 55.300 55.836 -0.535 17719
4796 1 14 . 1 1 10 10 LYS CB C 29 33.900 33.900 33.362 0.538 17719
4797 1 14 . 1 1 10 10 LYS H H 29 8.290 8.290 8.353 -0.063 17719
4798 1 14 . 1 1 11 11 VAL N N 30 122.800 122.800 121.536 1.264 17719
4799 1 14 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.725 0.105 17719
4800 1 14 . 1 1 11 11 VAL C C 30 174.400 174.400 175.494 -1.094 17719
4801 1 14 . 1 1 11 11 VAL CA C 30 62.200 62.200 63.260 -1.060 17719
4802 1 14 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.604 0.796 17719
4803 1 14 . 1 1 11 11 VAL H H 30 8.010 8.010 8.043 -0.033 17719
4804 1 14 . 1 1 12 12 ASP N N 31 126.200 126.200 128.643 -2.443 17719
4805 1 14 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.459 0.361 17719
4806 1 14 . 1 1 12 12 ASP C C 31 176.800 176.800 175.543 1.257 17719
4807 1 14 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.495 -2.295 17719
4808 1 14 . 1 1 12 12 ASP CB C 31 41.000 41.000 39.346 1.654 17719
4809 1 14 . 1 1 12 12 ASP H H 31 8.580 8.580 8.256 0.324 17719
4810 1 14 . 1 1 13 13 CYS N N 32 121.600 121.600 123.742 -2.142 17719
4811 1 14 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.706 0.344 17719
4812 1 14 . 1 1 13 13 CYS C C 32 176.800 176.800 175.999 0.801 17719
4813 1 14 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.667 -5.268 17719
4814 1 14 . 1 1 13 13 CYS CB C 32 33.400 33.400 28.051 5.349 17719
4815 1 14 . 1 1 13 13 CYS H H 32 9.070 9.070 8.168 0.902 17719
4816 1 14 . 1 1 14 14 SER N N 33 118.000 118.000 118.201 -0.201 17719
4817 1 14 . 1 1 14 14 SER HA H 33 4.030 4.030 4.120 -0.090 17719
4818 1 14 . 1 1 14 14 SER C C 33 177.100 177.100 176.108 0.992 17719
4819 1 14 . 1 1 14 14 SER CA C 33 62.400 62.400 61.357 1.043 17719
4820 1 14 . 1 1 14 14 SER CB C 33 62.600 62.600 62.222 0.378 17719
4821 1 14 . 1 1 14 14 SER H H 33 8.760 8.760 7.888 0.872 17719
4822 1 14 . 1 1 15 15 ILE N N 34 117.700 117.700 116.911 0.789 17719
4823 1 14 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.763 0.227 17719
4824 1 14 . 1 1 15 15 ILE C C 34 176.600 176.600 177.307 -0.707 17719
4825 1 14 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.945 -0.445 17719
4826 1 14 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.443 -0.043 17719
4827 1 14 . 1 1 15 15 ILE H H 34 7.200 7.200 8.577 -1.377 17719
4828 1 14 . 1 1 16 16 TYR N N 35 118.000 118.000 118.972 -0.972 17719
4829 1 14 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.772 -0.162 17719
4830 1 14 . 1 1 16 16 TYR C C 35 176.300 176.300 177.916 -1.616 17719
4831 1 14 . 1 1 16 16 TYR CA C 35 58.800 58.800 60.153 -1.353 17719
4832 1 14 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.072 -0.472 17719
4833 1 14 . 1 1 16 16 TYR H H 35 7.470 7.470 7.455 0.015 17719
4834 1 14 . 1 1 17 17 LYS N N 36 119.200 119.200 118.553 0.647 17719
4835 1 14 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.162 0.068 17719
4836 1 14 . 1 1 17 17 LYS C C 36 176.300 176.300 176.954 -0.654 17719
4837 1 14 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.301 0.399 17719
4838 1 14 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.909 0.391 17719
4839 1 14 . 1 1 17 17 LYS H H 36 7.590 7.590 7.542 0.048 17719
4840 1 14 . 1 1 18 18 LYS N N 37 115.100 115.100 116.321 -1.221 17719
4841 1 14 . 1 1 18 18 LYS HA H 37 4.150 4.150 3.992 0.158 17719
4842 1 14 . 1 1 18 18 LYS C C 37 175.500 175.500 176.634 -1.134 17719
4843 1 14 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.204 -0.504 17719
4844 1 14 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.141 -0.441 17719
4845 1 14 . 1 1 18 18 LYS H H 37 7.410 7.410 7.376 0.034 17719
4846 1 14 . 1 1 19 19 TYR N N 38 120.200 120.200 119.104 1.096 17719
4847 1 14 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.773 0.037 17719
4848 1 14 . 1 1 19 19 TYR C C 38 173.600 173.600 173.600 0.000 17719
4849 1 14 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.645 1.855 17719
4850 1 14 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.964 0.236 17719
4851 1 14 . 1 1 19 19 TYR H H 38 7.390 7.390 7.506 -0.116 17719
4852 1 14 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.462 0.118 17719
4853 1 14 . 1 1 20 20 PRO C C 39 179.000 179.000 177.178 1.822 17719
4854 1 14 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.868 0.232 17719
4855 1 14 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.565 -0.865 17719
4856 1 14 . 1 1 21 21 VAL N N 40 123.200 123.200 122.276 0.924 17719
4857 1 14 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.798 0.222 17719
4858 1 14 . 1 1 21 21 VAL C C 40 176.400 176.400 177.326 -0.926 17719
4859 1 14 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.020 -0.320 17719
4860 1 14 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.733 0.267 17719
4861 1 14 . 1 1 21 21 VAL H H 40 8.400 8.400 8.505 -0.105 17719
4862 1 14 . 1 1 22 22 VAL N N 41 110.600 110.600 117.337 -6.737 17719
4863 1 14 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.004 0.206 17719
4864 1 14 . 1 1 22 22 VAL C C 41 175.600 175.600 175.781 -0.181 17719
4865 1 14 . 1 1 22 22 VAL CA C 41 61.500 61.500 63.262 -1.762 17719
4866 1 14 . 1 1 22 22 VAL CB C 41 31.800 31.800 32.072 -0.272 17719
4867 1 14 . 1 1 22 22 VAL H H 41 7.140 7.140 7.663 -0.523 17719
4868 1 14 . 1 1 23 23 ALA N N 42 126.600 126.600 123.519 3.081 17719
4869 1 14 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.605 -0.115 17719
4870 1 14 . 1 1 23 23 ALA C C 42 175.700 175.700 175.871 -0.171 17719
4871 1 14 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.102 0.298 17719
4872 1 14 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.471 -0.371 17719
4873 1 14 . 1 1 23 23 ALA H H 42 8.280 8.280 7.624 0.656 17719
4874 1 14 . 1 1 24 24 ILE N N 43 123.300 123.300 124.172 -0.872 17719
4875 1 14 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.370 -0.530 17719
4876 1 14 . 1 1 24 24 ILE C C 43 174.900 174.900 173.719 1.181 17719
4877 1 14 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.796 1.704 17719
4878 1 14 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.561 -1.561 17719
4879 1 14 . 1 1 24 24 ILE H H 43 7.970 7.970 7.990 -0.020 17719
4880 1 14 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.375 0.105 17719
4881 1 14 . 1 1 25 25 PRO C C 44 175.900 175.900 175.709 0.191 17719
4882 1 14 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.476 -0.676 17719
4883 1 14 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.626 -1.226 17719
4884 1 14 . 1 1 26 26 CYS N N 45 120.500 120.500 122.303 -1.803 17719
4885 1 14 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.597 0.793 17719
4886 1 14 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.242 -6.342 17719
4887 1 14 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.475 6.925 17719
4888 1 14 . 1 1 26 26 CYS H H 45 8.290 8.290 8.329 -0.039 17719
4889 1 14 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.534 0.117 17719
4890 1 14 . 1 1 27 27 PRO C C 46 177.000 177.000 176.418 0.582 17719
4891 1 14 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.806 -0.406 17719
4892 1 14 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.500 0.400 17719
4893 1 14 . 1 1 28 28 ILE N N 47 116.600 116.600 113.943 2.657 17719
4894 1 14 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.170 0.190 17719
4895 1 14 . 1 1 28 28 ILE C C 47 176.200 176.200 175.870 0.330 17719
4896 1 14 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.944 -0.644 17719
4897 1 14 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.761 0.239 17719
4898 1 14 . 1 1 28 28 ILE H H 47 8.590 8.590 8.140 0.450 17719
4899 1 14 . 1 1 29 29 THR N N 48 114.700 114.700 116.983 -2.283 17719
4900 1 14 . 1 1 29 29 THR HA H 48 3.890 3.890 4.315 -0.425 17719
4901 1 14 . 1 1 29 29 THR C C 48 173.200 173.200 173.628 -0.428 17719
4902 1 14 . 1 1 29 29 THR CA C 48 62.600 62.600 62.970 -0.370 17719
4903 1 14 . 1 1 29 29 THR CB C 48 70.000 70.000 69.285 0.715 17719
4904 1 14 . 1 1 29 29 THR H H 48 7.130 7.130 7.621 -0.491 17719
4905 1 14 . 1 1 30 30 TYR N N 49 129.100 129.100 126.958 2.142 17719
4906 1 14 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.834 0.126 17719
4907 1 14 . 1 1 30 30 TYR C C 49 173.900 173.900 174.744 -0.844 17719
4908 1 14 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.388 0.212 17719
4909 1 14 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.681 -1.681 17719
4910 1 14 . 1 1 30 30 TYR H H 49 9.020 9.020 8.545 0.475 17719
4911 1 14 . 1 1 31 31 LEU N N 50 131.700 131.700 129.782 1.918 17719
4912 1 14 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.876 -0.316 17719
4913 1 14 . 1 1 31 31 LEU C C 50 172.200 172.200 174.547 -2.347 17719
4914 1 14 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.544 1.056 17719
4915 1 14 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.354 -0.454 17719
4916 1 14 . 1 1 31 31 LEU H H 50 8.600 8.600 8.566 0.034 17719
4917 1 14 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.665 -0.225 17719
4918 1 14 . 1 1 32 32 PRO C C 51 176.800 176.800 176.048 0.752 17719
4919 1 14 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.526 0.174 17719
4920 1 14 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.321 1.579 17719
4921 1 14 . 1 1 33 33 VAL N N 52 110.700 110.700 118.350 -7.650 17719
4922 1 14 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.486 0.234 17719
4923 1 14 . 1 1 33 33 VAL C C 52 172.600 172.600 173.663 -1.063 17719
4924 1 14 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.227 0.373 17719
4925 1 14 . 1 1 33 33 VAL CB C 52 35.700 35.700 34.540 1.160 17719
4926 1 14 . 1 1 33 33 VAL H H 52 8.230 8.230 8.375 -0.145 17719
4927 1 14 . 1 1 34 34 CYS N N 53 122.200 122.200 122.905 -0.705 17719
4928 1 14 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.237 -0.147 17719
4929 1 14 . 1 1 34 34 CYS C C 53 175.600 175.600 174.749 0.851 17719
4930 1 14 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.199 -1.698 17719
4931 1 14 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.512 10.788 17719
4932 1 14 . 1 1 34 34 CYS H H 53 8.550 8.550 8.493 0.057 17719
4933 1 14 . 1 1 35 35 GLY N N 54 115.900 115.900 113.993 1.907 17719
4934 1 14 . 1 1 35 35 GLY C C 54 174.500 174.500 175.279 -0.779 17719
4935 1 14 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.907 0.793 17719
4936 1 14 . 1 1 35 35 GLY H H 54 9.060 9.060 8.948 0.112 17719
4937 1 14 . 1 1 36 36 SER N N 55 113.400 113.400 117.612 -4.212 17719
4938 1 14 . 1 1 36 36 SER HA H 55 3.760 3.760 3.966 -0.206 17719
4939 1 14 . 1 1 36 36 SER C C 55 173.300 173.300 174.749 -1.449 17719
4940 1 14 . 1 1 36 36 SER CA C 55 60.400 60.400 61.722 -1.323 17719
4941 1 14 . 1 1 36 36 SER CB C 55 62.300 62.300 62.928 -0.628 17719
4942 1 14 . 1 1 36 36 SER H H 55 9.270 9.270 8.639 0.631 17719
4943 1 14 . 1 1 37 37 ASP N N 56 121.100 121.100 118.426 2.674 17719
4944 1 14 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.376 -0.036 17719
4945 1 14 . 1 1 37 37 ASP C C 56 175.600 175.600 175.368 0.232 17719
4946 1 14 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.823 -0.723 17719
4947 1 14 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.872 -1.272 17719
4948 1 14 . 1 1 37 37 ASP H H 56 9.150 9.150 7.978 1.172 17719
4949 1 14 . 1 1 38 38 TYR N N 57 116.100 116.100 111.983 4.117 17719
4950 1 14 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.121 -0.111 17719
4951 1 14 . 1 1 38 38 TYR C C 57 174.700 174.700 174.427 0.273 17719
4952 1 14 . 1 1 38 38 TYR CA C 57 61.000 61.000 58.931 2.069 17719
4953 1 14 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.110 -0.810 17719
4954 1 14 . 1 1 38 38 TYR H H 57 8.630 8.630 7.696 0.934 17719
4955 1 14 . 1 1 39 39 ILE N N 58 120.700 120.700 120.681 0.019 17719
4956 1 14 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.261 -0.251 17719
4957 1 14 . 1 1 39 39 ILE C C 58 174.900 174.900 175.278 -0.378 17719
4958 1 14 . 1 1 39 39 ILE CA C 58 59.300 59.300 58.824 0.476 17719
4959 1 14 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.443 -0.843 17719
4960 1 14 . 1 1 39 39 ILE H H 58 7.480 7.480 7.486 -0.006 17719
4961 1 14 . 1 1 40 40 THR N N 59 123.700 123.700 123.783 -0.083 17719
4962 1 14 . 1 1 40 40 THR HA H 59 4.670 4.670 4.605 0.065 17719
4963 1 14 . 1 1 40 40 THR C C 59 174.800 174.800 173.790 1.010 17719
4964 1 14 . 1 1 40 40 THR CA C 59 62.700 62.700 62.904 -0.204 17719
4965 1 14 . 1 1 40 40 THR CB C 59 68.900 68.900 68.924 -0.024 17719
4966 1 14 . 1 1 40 40 THR H H 59 8.090 8.090 8.451 -0.361 17719
4967 1 14 . 1 1 41 41 TYR N N 60 129.700 129.700 127.058 2.642 17719
4968 1 14 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.602 -0.192 17719
4969 1 14 . 1 1 41 41 TYR C C 60 177.200 177.200 176.997 0.203 17719
4970 1 14 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.340 0.861 17719
4971 1 14 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.316 1.484 17719
4972 1 14 . 1 1 41 41 TYR H H 60 9.550 9.550 9.148 0.402 17719
4973 1 14 . 1 1 42 42 GLY N N 61 107.800 107.800 108.291 -0.491 17719
4974 1 14 . 1 1 42 42 GLY C C 61 172.800 172.800 172.500 0.300 17719
4975 1 14 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.424 2.276 17719
4976 1 14 . 1 1 42 42 GLY H H 61 9.310 9.310 8.976 0.334 17719
4977 1 14 . 1 1 43 43 ASN N N 62 104.600 104.600 112.736 -8.136 17719
4978 1 14 . 1 1 43 43 ASN HA H 62 4.950 4.950 4.984 -0.034 17719
4979 1 14 . 1 1 43 43 ASN C C 62 176.700 176.700 175.159 1.541 17719
4980 1 14 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.769 0.731 17719
4981 1 14 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.628 0.272 17719
4982 1 14 . 1 1 43 43 ASN H H 62 7.380 7.380 7.561 -0.181 17719
4983 1 14 . 1 1 44 44 GLU N N 63 118.300 118.300 119.332 -1.032 17719
4984 1 14 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.113 -0.223 17719
4985 1 14 . 1 1 44 44 GLU C C 63 176.100 176.100 177.269 -1.169 17719
4986 1 14 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.186 0.514 17719
4987 1 14 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.711 1.089 17719
4988 1 14 . 1 1 44 44 GLU H H 63 9.310 9.310 8.829 0.481 17719
4989 1 14 . 1 1 45 45 CYS N N 64 121.400 121.400 121.386 0.014 17719
4990 1 14 . 1 1 45 45 CYS HA H 64 3.370 3.370 2.963 0.407 17719
4991 1 14 . 1 1 45 45 CYS C C 64 177.700 177.700 176.395 1.305 17719
4992 1 14 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.851 -1.751 17719
4993 1 14 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.214 10.186 17719
4994 1 14 . 1 1 45 45 CYS H H 64 8.270 8.270 8.378 -0.108 17719
4995 1 14 . 1 1 46 46 HIS N N 65 121.000 121.000 118.361 2.639 17719
4996 1 14 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.281 0.099 17719
4997 1 14 . 1 1 46 46 HIS C C 65 177.800 177.800 177.794 0.006 17719
4998 1 14 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.247 0.453 17719
4999 1 14 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.294 0.206 17719
5000 1 14 . 1 1 46 46 HIS H H 65 8.120 8.120 8.113 0.007 17719
5001 1 14 . 1 1 47 47 LEU N N 66 122.300 122.300 120.965 1.335 17719
5002 1 14 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.127 -0.277 17719
5003 1 14 . 1 1 47 47 LEU C C 66 178.300 178.300 178.375 -0.075 17719
5004 1 14 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.548 0.952 17719
5005 1 14 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.296 -0.696 17719
5006 1 14 . 1 1 47 47 LEU H H 66 7.630 7.630 7.616 0.014 17719
5007 1 14 . 1 1 48 48 CYS N N 67 117.500 117.500 118.743 -1.243 17719
5008 1 14 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.958 0.482 17719
5009 1 14 . 1 1 48 48 CYS C C 67 176.700 176.700 177.058 -0.358 17719
5010 1 14 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.980 -5.780 17719
5011 1 14 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.247 9.853 17719
5012 1 14 . 1 1 48 48 CYS H H 67 8.960 8.960 8.589 0.371 17719
5013 1 14 . 1 1 49 49 THR N N 68 118.000 118.000 117.347 0.653 17719
5014 1 14 . 1 1 49 49 THR HA H 68 3.800 3.800 3.869 -0.069 17719
5015 1 14 . 1 1 49 49 THR C C 68 175.400 175.400 176.476 -1.076 17719
5016 1 14 . 1 1 49 49 THR CA C 68 67.600 67.600 67.281 0.319 17719
5017 1 14 . 1 1 49 49 THR CB C 68 68.800 68.800 68.430 0.371 17719
5018 1 14 . 1 1 49 49 THR H H 68 8.330 8.330 8.433 -0.103 17719
5019 1 14 . 1 1 50 50 GLU N N 69 121.300 121.300 121.205 0.095 17719
5020 1 14 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.080 0.180 17719
5021 1 14 . 1 1 50 50 GLU C C 69 180.000 180.000 178.597 1.403 17719
5022 1 14 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.950 -0.750 17719
5023 1 14 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.337 -0.737 17719
5024 1 14 . 1 1 50 50 GLU H H 69 7.070 7.070 7.830 -0.760 17719
5025 1 14 . 1 1 51 51 SER N N 70 117.100 117.100 115.931 1.169 17719
5026 1 14 . 1 1 51 51 SER HA H 70 4.030 4.030 4.214 -0.184 17719
5027 1 14 . 1 1 51 51 SER C C 70 177.800 177.800 176.707 1.093 17719
5028 1 14 . 1 1 51 51 SER CA C 70 62.400 62.400 61.853 0.547 17719
5029 1 14 . 1 1 51 51 SER CB C 70 64.900 64.900 62.908 1.992 17719
5030 1 14 . 1 1 51 51 SER H H 70 9.040 9.040 7.992 1.048 17719
5031 1 14 . 1 1 52 52 LEU N N 71 119.100 119.100 120.862 -1.762 17719
5032 1 14 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.007 0.193 17719
5033 1 14 . 1 1 52 52 LEU C C 71 181.400 181.400 178.862 2.538 17719
5034 1 14 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.682 0.218 17719
5035 1 14 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.858 -0.558 17719
5036 1 14 . 1 1 52 52 LEU H H 71 8.540 8.540 8.248 0.292 17719
5037 1 14 . 1 1 53 53 LYS N N 72 121.700 121.700 118.514 3.186 17719
5038 1 14 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.125 -0.085 17719
5039 1 14 . 1 1 53 53 LYS C C 72 177.600 177.600 178.386 -0.786 17719
5040 1 14 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.825 0.975 17719
5041 1 14 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.732 0.368 17719
5042 1 14 . 1 1 53 53 LYS H H 72 8.380 8.380 7.725 0.655 17719
5043 1 14 . 1 1 54 54 SER N N 73 111.300 111.300 112.692 -1.392 17719
5044 1 14 . 1 1 54 54 SER HA H 73 4.600 4.600 4.438 0.162 17719
5045 1 14 . 1 1 54 54 SER C C 73 175.300 175.300 173.882 1.418 17719
5046 1 14 . 1 1 54 54 SER CA C 73 58.300 58.300 59.038 -0.738 17719
5047 1 14 . 1 1 54 54 SER CB C 73 64.700 64.700 63.658 1.042 17719
5048 1 14 . 1 1 54 54 SER H H 73 8.150 8.150 8.114 0.036 17719
5049 1 14 . 1 1 55 55 ASN N N 74 120.000 120.000 119.080 0.920 17719
5050 1 14 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.320 0.190 17719
5051 1 14 . 1 1 55 55 ASN C C 74 175.600 175.600 175.449 0.151 17719
5052 1 14 . 1 1 55 55 ASN CA C 74 54.500 54.500 53.930 0.570 17719
5053 1 14 . 1 1 55 55 ASN CB C 74 37.100 37.100 37.089 0.011 17719
5054 1 14 . 1 1 55 55 ASN H H 74 8.070 8.070 7.770 0.300 17719
5055 1 14 . 1 1 56 56 GLY N N 75 103.900 103.900 108.457 -4.557 17719
5056 1 14 . 1 1 56 56 GLY C C 75 174.700 174.700 174.373 0.327 17719
5057 1 14 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.565 -0.565 17719
5058 1 14 . 1 1 56 56 GLY H H 75 8.970 8.970 8.681 0.289 17719
5059 1 14 . 1 1 57 57 ARG N N 76 122.200 122.200 119.702 2.498 17719
5060 1 14 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.092 -0.052 17719
5061 1 14 . 1 1 57 57 ARG C C 76 177.200 177.200 175.962 1.238 17719
5062 1 14 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.463 0.737 17719
5063 1 14 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.756 -0.356 17719
5064 1 14 . 1 1 57 57 ARG H H 76 7.600 7.600 7.509 0.091 17719
5065 1 14 . 1 1 58 58 VAL N N 77 117.000 117.000 118.521 -1.521 17719
5066 1 14 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.214 -0.504 17719
5067 1 14 . 1 1 58 58 VAL C C 77 174.500 174.500 174.005 0.495 17719
5068 1 14 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.278 2.922 17719
5069 1 14 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.647 0.153 17719
5070 1 14 . 1 1 58 58 VAL H H 77 7.340 7.340 7.889 -0.549 17719
5071 1 14 . 1 1 59 59 GLN N N 78 125.000 125.000 127.109 -2.109 17719
5072 1 14 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.665 -0.185 17719
5073 1 14 . 1 1 59 59 GLN C C 78 174.900 174.900 174.190 0.710 17719
5074 1 14 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.298 -0.498 17719
5075 1 14 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.608 -0.007 17719
5076 1 14 . 1 1 59 59 GLN H H 78 8.510 8.510 7.916 0.594 17719
5077 1 14 . 1 1 60 60 PHE N N 79 121.400 121.400 122.052 -0.652 17719
5078 1 14 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.378 -0.428 17719
5079 1 14 . 1 1 60 60 PHE C C 79 173.900 173.900 175.471 -1.571 17719
5080 1 14 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.454 0.846 17719
5081 1 14 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.192 0.708 17719
5082 1 14 . 1 1 60 60 PHE H H 79 9.050 9.050 8.630 0.420 17719
5083 1 14 . 1 1 61 61 LEU N N 80 128.900 128.900 130.094 -1.194 17719
5084 1 14 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.270 0.250 17719
5085 1 14 . 1 1 61 61 LEU C C 80 175.700 175.700 175.721 -0.021 17719
5086 1 14 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.752 0.248 17719
5087 1 14 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.338 1.062 17719
5088 1 14 . 1 1 61 61 LEU H H 80 8.270 8.270 8.692 -0.422 17719
5089 1 14 . 1 1 62 62 HIS N N 81 107.500 107.500 110.294 -2.794 17719
5090 1 14 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.480 -0.110 17719
5091 1 14 . 1 1 62 62 HIS C C 81 172.000 172.000 172.047 -0.047 17719
5092 1 14 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.747 1.353 17719
5093 1 14 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.038 -1.338 17719
5094 1 14 . 1 1 62 62 HIS H H 81 6.860 6.860 7.174 -0.314 17719
5095 1 14 . 1 1 63 63 ASP N N 82 120.900 120.900 120.389 0.511 17719
5096 1 14 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.346 0.554 17719
5097 1 14 . 1 1 63 63 ASP C C 82 178.500 178.500 177.081 1.419 17719
5098 1 14 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.489 0.111 17719
5099 1 14 . 1 1 63 63 ASP CB C 82 42.400 42.400 42.082 0.318 17719
5100 1 14 . 1 1 63 63 ASP H H 82 9.330 9.330 8.535 0.795 17719
5101 1 14 . 1 1 64 64 GLY N N 83 114.500 114.500 113.181 1.319 17719
5102 1 14 . 1 1 64 64 GLY C C 83 170.400 170.400 173.432 -3.032 17719
5103 1 14 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.380 0.520 17719
5104 1 14 . 1 1 64 64 GLY H H 83 8.330 8.330 8.550 -0.220 17719
5105 1 14 . 1 1 65 65 SER N N 84 107.400 107.400 116.113 -8.713 17719
5106 1 14 . 1 1 65 65 SER HA H 84 4.140 4.140 4.303 -0.163 17719
5107 1 14 . 1 1 65 65 SER C C 84 176.400 176.400 175.245 1.155 17719
5108 1 14 . 1 1 65 65 SER CA C 84 58.300 58.300 58.896 -0.596 17719
5109 1 14 . 1 1 65 65 SER CB C 84 63.900 63.900 63.895 0.005 17719
5110 1 14 . 1 1 65 65 SER H H 84 7.870 7.870 8.181 -0.311 17719
5111 1 15 . 1 1 2 2 GLU N N 21 121.800 121.800 124.036 -2.236 17719
5112 1 15 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.523 -0.133 17719
5113 1 15 . 1 1 2 2 GLU C C 21 176.100 176.100 175.154 0.946 17719
5114 1 15 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.309 -0.109 17719
5115 1 15 . 1 1 2 2 GLU CB C 21 30.300 30.300 28.451 1.849 17719
5116 1 15 . 1 1 2 2 GLU H H 21 8.860 8.860 8.550 0.310 17719
5117 1 15 . 1 1 3 3 ALA N N 22 126.000 126.000 124.412 1.588 17719
5118 1 15 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.444 -0.174 17719
5119 1 15 . 1 1 3 3 ALA C C 22 177.700 177.700 176.769 0.931 17719
5120 1 15 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.428 0.172 17719
5121 1 15 . 1 1 3 3 ALA CB C 22 19.100 19.100 17.498 1.602 17719
5122 1 15 . 1 1 3 3 ALA H H 22 8.550 8.550 8.597 -0.047 17719
5123 1 15 . 1 1 4 4 ALA N N 23 123.600 123.600 126.165 -2.565 17719
5124 1 15 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.343 -0.033 17719
5125 1 15 . 1 1 4 4 ALA C C 23 177.900 177.900 177.248 0.652 17719
5126 1 15 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.311 0.289 17719
5127 1 15 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.618 -0.518 17719
5128 1 15 . 1 1 4 4 ALA H H 23 8.400 8.400 8.045 0.355 17719
5129 1 15 . 1 1 5 5 SER N N 24 115.100 115.100 115.018 0.082 17719
5130 1 15 . 1 1 5 5 SER HA H 24 4.440 4.440 4.281 0.159 17719
5131 1 15 . 1 1 5 5 SER C C 24 174.500 174.500 174.877 -0.377 17719
5132 1 15 . 1 1 5 5 SER CA C 24 58.200 58.200 58.271 -0.071 17719
5133 1 15 . 1 1 5 5 SER CB C 24 63.800 63.800 62.855 0.945 17719
5134 1 15 . 1 1 5 5 SER H H 24 8.300 8.300 8.363 -0.063 17719
5135 1 15 . 1 1 6 6 LEU N N 25 124.200 124.200 121.714 2.486 17719
5136 1 15 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.295 0.135 17719
5137 1 15 . 1 1 6 6 LEU C C 25 177.300 177.300 177.589 -0.289 17719
5138 1 15 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.800 -0.700 17719
5139 1 15 . 1 1 6 6 LEU CB C 25 42.400 42.400 42.115 0.285 17719
5140 1 15 . 1 1 6 6 LEU H H 25 8.320 8.320 8.096 0.224 17719
5141 1 15 . 1 1 7 7 SER N N 26 118.100 118.100 113.594 4.506 17719
5142 1 15 . 1 1 7 7 SER HA H 26 4.780 4.780 4.817 -0.037 17719
5143 1 15 . 1 1 7 7 SER C C 26 172.500 172.500 172.286 0.214 17719
5144 1 15 . 1 1 7 7 SER CA C 26 56.400 56.400 56.268 0.132 17719
5145 1 15 . 1 1 7 7 SER CB C 26 63.300 63.300 64.418 -1.118 17719
5146 1 15 . 1 1 7 7 SER H H 26 8.330 8.330 7.802 0.528 17719
5147 1 15 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.601 -0.131 17719
5148 1 15 . 1 1 8 8 PRO C C 27 176.600 176.600 175.994 0.606 17719
5149 1 15 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.740 0.259 17719
5150 1 15 . 1 1 8 8 PRO CB C 27 32.400 32.400 30.984 1.416 17719
5151 1 15 . 1 1 9 9 LYS N N 28 122.600 122.600 126.241 -3.641 17719
5152 1 15 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.297 -0.077 17719
5153 1 15 . 1 1 9 9 LYS C C 28 175.600 175.600 175.452 0.148 17719
5154 1 15 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.615 -0.115 17719
5155 1 15 . 1 1 9 9 LYS CB C 28 33.100 33.100 32.525 0.575 17719
5156 1 15 . 1 1 9 9 LYS H H 28 8.410 8.410 8.128 0.282 17719
5157 1 15 . 1 1 10 10 LYS N N 29 123.700 123.700 120.315 3.385 17719
5158 1 15 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.673 -0.353 17719
5159 1 15 . 1 1 10 10 LYS C C 29 175.800 175.800 175.168 0.632 17719
5160 1 15 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.857 0.443 17719
5161 1 15 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.035 -0.135 17719
5162 1 15 . 1 1 10 10 LYS H H 29 8.290 8.290 7.898 0.392 17719
5163 1 15 . 1 1 11 11 VAL N N 30 122.800 122.800 121.536 1.264 17719
5164 1 15 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.856 -0.026 17719
5165 1 15 . 1 1 11 11 VAL C C 30 174.400 174.400 174.683 -0.283 17719
5166 1 15 . 1 1 11 11 VAL CA C 30 62.200 62.200 60.778 1.423 17719
5167 1 15 . 1 1 11 11 VAL CB C 30 33.400 33.400 33.324 0.076 17719
5168 1 15 . 1 1 11 11 VAL H H 30 8.010 8.010 8.237 -0.227 17719
5169 1 15 . 1 1 12 12 ASP N N 31 126.200 126.200 125.596 0.604 17719
5170 1 15 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.518 0.302 17719
5171 1 15 . 1 1 12 12 ASP C C 31 176.800 176.800 175.878 0.922 17719
5172 1 15 . 1 1 12 12 ASP CA C 31 52.200 52.200 55.041 -2.841 17719
5173 1 15 . 1 1 12 12 ASP CB C 31 41.000 41.000 39.899 1.101 17719
5174 1 15 . 1 1 12 12 ASP H H 31 8.580 8.580 8.621 -0.041 17719
5175 1 15 . 1 1 13 13 CYS N N 32 121.600 121.600 125.180 -3.580 17719
5176 1 15 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.576 0.474 17719
5177 1 15 . 1 1 13 13 CYS C C 32 176.800 176.800 176.026 0.774 17719
5178 1 15 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.978 -5.578 17719
5179 1 15 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.351 6.049 17719
5180 1 15 . 1 1 13 13 CYS H H 32 9.070 9.070 8.221 0.849 17719
5181 1 15 . 1 1 14 14 SER N N 33 118.000 118.000 117.638 0.362 17719
5182 1 15 . 1 1 14 14 SER HA H 33 4.030 4.030 4.070 -0.040 17719
5183 1 15 . 1 1 14 14 SER C C 33 177.100 177.100 176.069 1.031 17719
5184 1 15 . 1 1 14 14 SER CA C 33 62.400 62.400 62.266 0.134 17719
5185 1 15 . 1 1 14 14 SER CB C 33 62.600 62.600 63.023 -0.423 17719
5186 1 15 . 1 1 14 14 SER H H 33 8.760 8.760 8.070 0.690 17719
5187 1 15 . 1 1 15 15 ILE N N 34 117.700 117.700 115.656 2.044 17719
5188 1 15 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.772 0.218 17719
5189 1 15 . 1 1 15 15 ILE C C 34 176.600 176.600 176.511 0.089 17719
5190 1 15 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.796 -0.296 17719
5191 1 15 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.614 -0.214 17719
5192 1 15 . 1 1 15 15 ILE H H 34 7.200 7.200 8.090 -0.890 17719
5193 1 15 . 1 1 16 16 TYR N N 35 118.000 118.000 119.316 -1.316 17719
5194 1 15 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.706 -0.096 17719
5195 1 15 . 1 1 16 16 TYR C C 35 176.300 176.300 177.895 -1.595 17719
5196 1 15 . 1 1 16 16 TYR CA C 35 58.800 58.800 60.844 -2.044 17719
5197 1 15 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.928 -1.327 17719
5198 1 15 . 1 1 16 16 TYR H H 35 7.470 7.470 7.707 -0.237 17719
5199 1 15 . 1 1 17 17 LYS N N 36 119.200 119.200 119.514 -0.314 17719
5200 1 15 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.151 0.079 17719
5201 1 15 . 1 1 17 17 LYS C C 36 176.300 176.300 177.199 -0.899 17719
5202 1 15 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.636 0.064 17719
5203 1 15 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.994 0.306 17719
5204 1 15 . 1 1 17 17 LYS H H 36 7.590 7.590 8.230 -0.640 17719
5205 1 15 . 1 1 18 18 LYS N N 37 115.100 115.100 117.261 -2.161 17719
5206 1 15 . 1 1 18 18 LYS HA H 37 4.150 4.150 3.995 0.155 17719
5207 1 15 . 1 1 18 18 LYS C C 37 175.500 175.500 176.416 -0.916 17719
5208 1 15 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.330 -0.630 17719
5209 1 15 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.661 -0.961 17719
5210 1 15 . 1 1 18 18 LYS H H 37 7.410 7.410 7.691 -0.281 17719
5211 1 15 . 1 1 19 19 TYR N N 38 120.200 120.200 118.729 1.471 17719
5212 1 15 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.793 0.017 17719
5213 1 15 . 1 1 19 19 TYR C C 38 173.600 173.600 173.689 -0.089 17719
5214 1 15 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.971 1.529 17719
5215 1 15 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.918 0.282 17719
5216 1 15 . 1 1 19 19 TYR H H 38 7.390 7.390 7.656 -0.266 17719
5217 1 15 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.383 0.197 17719
5218 1 15 . 1 1 20 20 PRO C C 39 179.000 179.000 177.132 1.868 17719
5219 1 15 . 1 1 20 20 PRO CA C 39 63.100 63.100 63.149 -0.049 17719
5220 1 15 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.511 -0.811 17719
5221 1 15 . 1 1 21 21 VAL N N 40 123.200 123.200 119.987 3.213 17719
5222 1 15 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.788 0.232 17719
5223 1 15 . 1 1 21 21 VAL C C 40 176.400 176.400 177.535 -1.135 17719
5224 1 15 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.689 -0.989 17719
5225 1 15 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.539 0.461 17719
5226 1 15 . 1 1 21 21 VAL H H 40 8.400 8.400 8.519 -0.119 17719
5227 1 15 . 1 1 22 22 VAL N N 41 110.600 110.600 109.673 0.927 17719
5228 1 15 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.164 0.046 17719
5229 1 15 . 1 1 22 22 VAL C C 41 175.600 175.600 175.331 0.269 17719
5230 1 15 . 1 1 22 22 VAL CA C 41 61.500 61.500 61.870 -0.370 17719
5231 1 15 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.288 0.512 17719
5232 1 15 . 1 1 22 22 VAL H H 41 7.140 7.140 7.839 -0.699 17719
5233 1 15 . 1 1 23 23 ALA N N 42 126.600 126.600 124.333 2.267 17719
5234 1 15 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.595 -0.105 17719
5235 1 15 . 1 1 23 23 ALA C C 42 175.700 175.700 175.967 -0.267 17719
5236 1 15 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.122 0.278 17719
5237 1 15 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.250 -0.150 17719
5238 1 15 . 1 1 23 23 ALA H H 42 8.280 8.280 7.240 1.040 17719
5239 1 15 . 1 1 24 24 ILE N N 43 123.300 123.300 124.099 -0.799 17719
5240 1 15 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.313 -0.473 17719
5241 1 15 . 1 1 24 24 ILE C C 43 174.900 174.900 173.642 1.258 17719
5242 1 15 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.722 1.778 17719
5243 1 15 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.700 -1.700 17719
5244 1 15 . 1 1 24 24 ILE H H 43 7.970 7.970 7.954 0.016 17719
5245 1 15 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.354 0.127 17719
5246 1 15 . 1 1 25 25 PRO C C 44 175.900 175.900 175.591 0.309 17719
5247 1 15 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.523 -0.723 17719
5248 1 15 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.716 -1.316 17719
5249 1 15 . 1 1 26 26 CYS N N 45 120.500 120.500 122.773 -2.273 17719
5250 1 15 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.646 0.744 17719
5251 1 15 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.509 -6.609 17719
5252 1 15 . 1 1 26 26 CYS CB C 45 35.400 35.400 27.979 7.421 17719
5253 1 15 . 1 1 26 26 CYS H H 45 8.290 8.290 8.340 -0.050 17719
5254 1 15 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.635 0.016 17719
5255 1 15 . 1 1 27 27 PRO C C 46 177.000 177.000 176.726 0.274 17719
5256 1 15 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.678 -0.278 17719
5257 1 15 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.565 0.335 17719
5258 1 15 . 1 1 28 28 ILE N N 47 116.600 116.600 112.965 3.635 17719
5259 1 15 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.333 0.027 17719
5260 1 15 . 1 1 28 28 ILE C C 47 176.200 176.200 176.002 0.198 17719
5261 1 15 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.682 -0.382 17719
5262 1 15 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.783 0.217 17719
5263 1 15 . 1 1 28 28 ILE H H 47 8.590 8.590 8.194 0.396 17719
5264 1 15 . 1 1 29 29 THR N N 48 114.700 114.700 118.183 -3.483 17719
5265 1 15 . 1 1 29 29 THR HA H 48 3.890 3.890 4.295 -0.405 17719
5266 1 15 . 1 1 29 29 THR C C 48 173.200 173.200 173.252 -0.052 17719
5267 1 15 . 1 1 29 29 THR CA C 48 62.600 62.600 62.372 0.228 17719
5268 1 15 . 1 1 29 29 THR CB C 48 70.000 70.000 69.329 0.671 17719
5269 1 15 . 1 1 29 29 THR H H 48 7.130 7.130 7.520 -0.390 17719
5270 1 15 . 1 1 30 30 TYR N N 49 129.100 129.100 128.802 0.298 17719
5271 1 15 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.698 0.262 17719
5272 1 15 . 1 1 30 30 TYR C C 49 173.900 173.900 174.543 -0.643 17719
5273 1 15 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.946 -0.346 17719
5274 1 15 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.345 -1.345 17719
5275 1 15 . 1 1 30 30 TYR H H 49 9.020 9.020 8.660 0.360 17719
5276 1 15 . 1 1 31 31 LEU N N 50 131.700 131.700 130.229 1.471 17719
5277 1 15 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.754 -0.194 17719
5278 1 15 . 1 1 31 31 LEU C C 50 172.200 172.200 174.385 -2.185 17719
5279 1 15 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.395 1.206 17719
5280 1 15 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.143 -1.243 17719
5281 1 15 . 1 1 31 31 LEU H H 50 8.600 8.600 8.640 -0.040 17719
5282 1 15 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.575 -0.135 17719
5283 1 15 . 1 1 32 32 PRO C C 51 176.800 176.800 176.125 0.675 17719
5284 1 15 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.599 0.101 17719
5285 1 15 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.174 1.726 17719
5286 1 15 . 1 1 33 33 VAL N N 52 110.700 110.700 118.027 -7.327 17719
5287 1 15 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.628 0.092 17719
5288 1 15 . 1 1 33 33 VAL C C 52 172.600 172.600 173.697 -1.097 17719
5289 1 15 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.176 0.424 17719
5290 1 15 . 1 1 33 33 VAL CB C 52 35.700 35.700 34.829 0.871 17719
5291 1 15 . 1 1 33 33 VAL H H 52 8.230 8.230 8.441 -0.211 17719
5292 1 15 . 1 1 34 34 CYS N N 53 122.200 122.200 121.511 0.689 17719
5293 1 15 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.134 -0.044 17719
5294 1 15 . 1 1 34 34 CYS C C 53 175.600 175.600 174.494 1.106 17719
5295 1 15 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.357 -1.857 17719
5296 1 15 . 1 1 34 34 CYS CB C 53 39.300 39.300 29.161 10.139 17719
5297 1 15 . 1 1 34 34 CYS H H 53 8.550 8.550 8.299 0.251 17719
5298 1 15 . 1 1 35 35 GLY N N 54 115.900 115.900 113.352 2.548 17719
5299 1 15 . 1 1 35 35 GLY C C 54 174.500 174.500 175.254 -0.754 17719
5300 1 15 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.880 0.820 17719
5301 1 15 . 1 1 35 35 GLY H H 54 9.060 9.060 8.860 0.200 17719
5302 1 15 . 1 1 36 36 SER N N 55 113.400 113.400 117.128 -3.728 17719
5303 1 15 . 1 1 36 36 SER HA H 55 3.760 3.760 3.985 -0.225 17719
5304 1 15 . 1 1 36 36 SER C C 55 173.300 173.300 174.607 -1.307 17719
5305 1 15 . 1 1 36 36 SER CA C 55 60.400 60.400 61.281 -0.880 17719
5306 1 15 . 1 1 36 36 SER CB C 55 62.300 62.300 63.003 -0.703 17719
5307 1 15 . 1 1 36 36 SER H H 55 9.270 9.270 8.758 0.512 17719
5308 1 15 . 1 1 37 37 ASP N N 56 121.100 121.100 119.228 1.872 17719
5309 1 15 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.677 -0.337 17719
5310 1 15 . 1 1 37 37 ASP C C 56 175.600 175.600 176.004 -0.404 17719
5311 1 15 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.704 -0.604 17719
5312 1 15 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.846 -1.246 17719
5313 1 15 . 1 1 37 37 ASP H H 56 9.150 9.150 7.971 1.179 17719
5314 1 15 . 1 1 38 38 TYR N N 57 116.100 116.100 112.807 3.293 17719
5315 1 15 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.061 -0.051 17719
5316 1 15 . 1 1 38 38 TYR C C 57 174.700 174.700 174.094 0.606 17719
5317 1 15 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.314 1.686 17719
5318 1 15 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.654 -1.354 17719
5319 1 15 . 1 1 38 38 TYR H H 57 8.630 8.630 7.809 0.821 17719
5320 1 15 . 1 1 39 39 ILE N N 58 120.700 120.700 120.636 0.064 17719
5321 1 15 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.220 -0.210 17719
5322 1 15 . 1 1 39 39 ILE C C 58 174.900 174.900 175.592 -0.692 17719
5323 1 15 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.323 -0.023 17719
5324 1 15 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.375 -0.775 17719
5325 1 15 . 1 1 39 39 ILE H H 58 7.480 7.480 7.480 -0.000 17719
5326 1 15 . 1 1 40 40 THR N N 59 123.700 123.700 123.053 0.647 17719
5327 1 15 . 1 1 40 40 THR HA H 59 4.670 4.670 4.660 0.010 17719
5328 1 15 . 1 1 40 40 THR C C 59 174.800 174.800 173.514 1.286 17719
5329 1 15 . 1 1 40 40 THR CA C 59 62.700 62.700 62.743 -0.043 17719
5330 1 15 . 1 1 40 40 THR CB C 59 68.900 68.900 69.687 -0.787 17719
5331 1 15 . 1 1 40 40 THR H H 59 8.090 8.090 8.401 -0.311 17719
5332 1 15 . 1 1 41 41 TYR N N 60 129.700 129.700 125.190 4.510 17719
5333 1 15 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.648 -0.238 17719
5334 1 15 . 1 1 41 41 TYR C C 60 177.200 177.200 176.486 0.714 17719
5335 1 15 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.113 1.087 17719
5336 1 15 . 1 1 41 41 TYR CB C 60 41.800 41.800 41.179 0.621 17719
5337 1 15 . 1 1 41 41 TYR H H 60 9.550 9.550 9.117 0.433 17719
5338 1 15 . 1 1 42 42 GLY N N 61 107.800 107.800 108.640 -0.840 17719
5339 1 15 . 1 1 42 42 GLY C C 61 172.800 172.800 172.628 0.172 17719
5340 1 15 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.684 2.015 17719
5341 1 15 . 1 1 42 42 GLY H H 61 9.310 9.310 8.933 0.377 17719
5342 1 15 . 1 1 43 43 ASN N N 62 104.600 104.600 112.991 -8.391 17719
5343 1 15 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.042 -0.092 17719
5344 1 15 . 1 1 43 43 ASN C C 62 176.700 176.700 175.498 1.202 17719
5345 1 15 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.736 0.764 17719
5346 1 15 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.248 0.652 17719
5347 1 15 . 1 1 43 43 ASN H H 62 7.380 7.380 7.654 -0.274 17719
5348 1 15 . 1 1 44 44 GLU N N 63 118.300 118.300 120.295 -1.995 17719
5349 1 15 . 1 1 44 44 GLU HA H 63 3.890 3.890 3.818 0.072 17719
5350 1 15 . 1 1 44 44 GLU C C 63 176.100 176.100 177.570 -1.470 17719
5351 1 15 . 1 1 44 44 GLU CA C 63 59.700 59.700 60.242 -0.542 17719
5352 1 15 . 1 1 44 44 GLU CB C 63 29.800 29.800 29.344 0.456 17719
5353 1 15 . 1 1 44 44 GLU H H 63 9.310 9.310 8.724 0.586 17719
5354 1 15 . 1 1 45 45 CYS N N 64 121.400 121.400 119.733 1.667 17719
5355 1 15 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.281 0.089 17719
5356 1 15 . 1 1 45 45 CYS C C 64 177.700 177.700 176.544 1.156 17719
5357 1 15 . 1 1 45 45 CYS CA C 64 60.100 60.100 62.077 -1.977 17719
5358 1 15 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.428 9.972 17719
5359 1 15 . 1 1 45 45 CYS H H 64 8.270 8.270 7.585 0.685 17719
5360 1 15 . 1 1 46 46 HIS N N 65 121.000 121.000 118.555 2.445 17719
5361 1 15 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.226 0.154 17719
5362 1 15 . 1 1 46 46 HIS C C 65 177.800 177.800 177.602 0.198 17719
5363 1 15 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.465 0.235 17719
5364 1 15 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.472 0.028 17719
5365 1 15 . 1 1 46 46 HIS H H 65 8.120 8.120 7.743 0.377 17719
5366 1 15 . 1 1 47 47 LEU N N 66 122.300 122.300 120.694 1.606 17719
5367 1 15 . 1 1 47 47 LEU HA H 66 2.850 2.850 2.931 -0.081 17719
5368 1 15 . 1 1 47 47 LEU C C 66 178.300 178.300 178.347 -0.047 17719
5369 1 15 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.339 1.161 17719
5370 1 15 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.299 -0.699 17719
5371 1 15 . 1 1 47 47 LEU H H 66 7.630 7.630 7.744 -0.114 17719
5372 1 15 . 1 1 48 48 CYS N N 67 117.500 117.500 118.668 -1.168 17719
5373 1 15 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.903 0.537 17719
5374 1 15 . 1 1 48 48 CYS C C 67 176.700 176.700 176.801 -0.101 17719
5375 1 15 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.350 -6.150 17719
5376 1 15 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.314 9.787 17719
5377 1 15 . 1 1 48 48 CYS H H 67 8.960 8.960 8.292 0.668 17719
5378 1 15 . 1 1 49 49 THR N N 68 118.000 118.000 117.412 0.588 17719
5379 1 15 . 1 1 49 49 THR HA H 68 3.800 3.800 3.925 -0.125 17719
5380 1 15 . 1 1 49 49 THR C C 68 175.400 175.400 176.816 -1.416 17719
5381 1 15 . 1 1 49 49 THR CA C 68 67.600 67.600 66.630 0.970 17719
5382 1 15 . 1 1 49 49 THR CB C 68 68.800 68.800 68.626 0.174 17719
5383 1 15 . 1 1 49 49 THR H H 68 8.330 8.330 8.373 -0.043 17719
5384 1 15 . 1 1 50 50 GLU N N 69 121.300 121.300 120.807 0.493 17719
5385 1 15 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.211 0.049 17719
5386 1 15 . 1 1 50 50 GLU C C 69 180.000 180.000 179.011 0.989 17719
5387 1 15 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.734 -0.534 17719
5388 1 15 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.029 -0.429 17719
5389 1 15 . 1 1 50 50 GLU H H 69 7.070 7.070 7.610 -0.540 17719
5390 1 15 . 1 1 51 51 SER N N 70 117.100 117.100 116.935 0.165 17719
5391 1 15 . 1 1 51 51 SER HA H 70 4.030 4.030 4.347 -0.317 17719
5392 1 15 . 1 1 51 51 SER C C 70 177.800 177.800 176.697 1.103 17719
5393 1 15 . 1 1 51 51 SER CA C 70 62.400 62.400 61.627 0.773 17719
5394 1 15 . 1 1 51 51 SER CB C 70 64.900 64.900 62.961 1.939 17719
5395 1 15 . 1 1 51 51 SER H H 70 9.040 9.040 8.184 0.856 17719
5396 1 15 . 1 1 52 52 LEU N N 71 119.100 119.100 120.743 -1.643 17719
5397 1 15 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.076 0.124 17719
5398 1 15 . 1 1 52 52 LEU C C 71 181.400 181.400 178.987 2.413 17719
5399 1 15 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.846 0.054 17719
5400 1 15 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.608 -0.308 17719
5401 1 15 . 1 1 52 52 LEU H H 71 8.540 8.540 8.296 0.244 17719
5402 1 15 . 1 1 53 53 LYS N N 72 121.700 121.700 119.628 2.072 17719
5403 1 15 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.093 -0.053 17719
5404 1 15 . 1 1 53 53 LYS C C 72 177.600 177.600 178.200 -0.600 17719
5405 1 15 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.944 0.855 17719
5406 1 15 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.847 0.253 17719
5407 1 15 . 1 1 53 53 LYS H H 72 8.380 8.380 7.712 0.668 17719
5408 1 15 . 1 1 54 54 SER N N 73 111.300 111.300 111.304 -0.004 17719
5409 1 15 . 1 1 54 54 SER HA H 73 4.600 4.600 4.452 0.148 17719
5410 1 15 . 1 1 54 54 SER C C 73 175.300 175.300 174.773 0.527 17719
5411 1 15 . 1 1 54 54 SER CA C 73 58.300 58.300 59.235 -0.935 17719
5412 1 15 . 1 1 54 54 SER CB C 73 64.700 64.700 64.374 0.326 17719
5413 1 15 . 1 1 54 54 SER H H 73 8.150 8.150 8.013 0.137 17719
5414 1 15 . 1 1 55 55 ASN N N 74 120.000 120.000 119.094 0.906 17719
5415 1 15 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.459 0.051 17719
5416 1 15 . 1 1 55 55 ASN C C 74 175.600 175.600 175.651 -0.051 17719
5417 1 15 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.471 0.029 17719
5418 1 15 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.351 0.749 17719
5419 1 15 . 1 1 55 55 ASN H H 74 8.070 8.070 7.864 0.206 17719
5420 1 15 . 1 1 56 56 GLY N N 75 103.900 103.900 106.246 -2.346 17719
5421 1 15 . 1 1 56 56 GLY C C 75 174.700 174.700 174.421 0.279 17719
5422 1 15 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.149 -0.149 17719
5423 1 15 . 1 1 56 56 GLY H H 75 8.970 8.970 8.722 0.248 17719
5424 1 15 . 1 1 57 57 ARG N N 76 122.200 122.200 120.321 1.879 17719
5425 1 15 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.141 -0.101 17719
5426 1 15 . 1 1 57 57 ARG C C 76 177.200 177.200 176.118 1.082 17719
5427 1 15 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.307 0.893 17719
5428 1 15 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.550 -0.150 17719
5429 1 15 . 1 1 57 57 ARG H H 76 7.600 7.600 7.905 -0.305 17719
5430 1 15 . 1 1 58 58 VAL N N 77 117.000 117.000 120.036 -3.036 17719
5431 1 15 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.292 -0.582 17719
5432 1 15 . 1 1 58 58 VAL C C 77 174.500 174.500 173.796 0.704 17719
5433 1 15 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.089 3.111 17719
5434 1 15 . 1 1 58 58 VAL CB C 77 32.800 32.800 31.921 0.879 17719
5435 1 15 . 1 1 58 58 VAL H H 77 7.340 7.340 7.460 -0.120 17719
5436 1 15 . 1 1 59 59 GLN N N 78 125.000 125.000 128.153 -3.153 17719
5437 1 15 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.689 -0.209 17719
5438 1 15 . 1 1 59 59 GLN C C 78 174.900 174.900 174.737 0.163 17719
5439 1 15 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.121 -0.321 17719
5440 1 15 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.138 0.462 17719
5441 1 15 . 1 1 59 59 GLN H H 78 8.510 8.510 8.116 0.394 17719
5442 1 15 . 1 1 60 60 PHE N N 79 121.400 121.400 120.628 0.772 17719
5443 1 15 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.323 -0.373 17719
5444 1 15 . 1 1 60 60 PHE C C 79 173.900 173.900 174.704 -0.804 17719
5445 1 15 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.970 0.330 17719
5446 1 15 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.351 0.549 17719
5447 1 15 . 1 1 60 60 PHE H H 79 9.050 9.050 8.620 0.430 17719
5448 1 15 . 1 1 61 61 LEU N N 80 128.900 128.900 127.972 0.928 17719
5449 1 15 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.216 0.304 17719
5450 1 15 . 1 1 61 61 LEU C C 80 175.700 175.700 174.603 1.097 17719
5451 1 15 . 1 1 61 61 LEU CA C 80 56.000 56.000 54.657 1.343 17719
5452 1 15 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.806 0.594 17719
5453 1 15 . 1 1 61 61 LEU H H 80 8.270 8.270 8.617 -0.347 17719
5454 1 15 . 1 1 62 62 HIS N N 81 107.500 107.500 109.187 -1.687 17719
5455 1 15 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.490 -0.120 17719
5456 1 15 . 1 1 62 62 HIS C C 81 172.000 172.000 172.044 -0.044 17719
5457 1 15 . 1 1 62 62 HIS CA C 81 55.100 55.100 54.065 1.036 17719
5458 1 15 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.218 -1.518 17719
5459 1 15 . 1 1 62 62 HIS H H 81 6.860 6.860 6.943 -0.083 17719
5460 1 15 . 1 1 63 63 ASP N N 82 120.900 120.900 119.720 1.180 17719
5461 1 15 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.471 0.429 17719
5462 1 15 . 1 1 63 63 ASP C C 82 178.500 178.500 176.916 1.584 17719
5463 1 15 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.731 0.869 17719
5464 1 15 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.970 0.430 17719
5465 1 15 . 1 1 63 63 ASP H H 82 9.330 9.330 8.501 0.829 17719
5466 1 15 . 1 1 64 64 GLY N N 83 114.500 114.500 113.583 0.917 17719
5467 1 15 . 1 1 64 64 GLY C C 83 170.400 170.400 173.616 -3.216 17719
5468 1 15 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.373 0.527 17719
5469 1 15 . 1 1 64 64 GLY H H 83 8.330 8.330 8.455 -0.125 17719
5470 1 15 . 1 1 65 65 SER N N 84 107.400 107.400 116.220 -8.820 17719
5471 1 15 . 1 1 65 65 SER HA H 84 4.140 4.140 4.366 -0.226 17719
5472 1 15 . 1 1 65 65 SER C C 84 176.400 176.400 175.445 0.955 17719
5473 1 15 . 1 1 65 65 SER CA C 84 58.300 58.300 58.867 -0.567 17719
5474 1 15 . 1 1 65 65 SER CB C 84 63.900 63.900 64.076 -0.176 17719
5475 1 15 . 1 1 65 65 SER H H 84 7.870 7.870 8.163 -0.293 17719
5476 1 16 . 1 1 2 2 GLU N N 21 121.800 121.800 122.726 -0.926 17719
5477 1 16 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.721 -0.331 17719
5478 1 16 . 1 1 2 2 GLU C C 21 176.100 176.100 175.707 0.393 17719
5479 1 16 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.667 -0.467 17719
5480 1 16 . 1 1 2 2 GLU CB C 21 30.300 30.300 29.982 0.318 17719
5481 1 16 . 1 1 2 2 GLU H H 21 8.860 8.860 8.510 0.350 17719
5482 1 16 . 1 1 3 3 ALA N N 22 126.000 126.000 126.054 -0.054 17719
5483 1 16 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.051 0.219 17719
5484 1 16 . 1 1 3 3 ALA C C 22 177.700 177.700 176.965 0.735 17719
5485 1 16 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.256 0.344 17719
5486 1 16 . 1 1 3 3 ALA CB C 22 19.100 19.100 18.588 0.512 17719
5487 1 16 . 1 1 3 3 ALA H H 22 8.550 8.550 8.113 0.437 17719
5488 1 16 . 1 1 4 4 ALA N N 23 123.600 123.600 117.819 5.781 17719
5489 1 16 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.178 0.132 17719
5490 1 16 . 1 1 4 4 ALA C C 23 177.900 177.900 176.890 1.010 17719
5491 1 16 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.922 -0.322 17719
5492 1 16 . 1 1 4 4 ALA CB C 23 19.100 19.100 18.113 0.987 17719
5493 1 16 . 1 1 4 4 ALA H H 23 8.400 8.400 8.199 0.201 17719
5494 1 16 . 1 1 5 5 SER N N 24 115.100 115.100 115.430 -0.330 17719
5495 1 16 . 1 1 5 5 SER HA H 24 4.440 4.440 4.428 0.012 17719
5496 1 16 . 1 1 5 5 SER C C 24 174.500 174.500 173.804 0.696 17719
5497 1 16 . 1 1 5 5 SER CA C 24 58.200 58.200 58.870 -0.670 17719
5498 1 16 . 1 1 5 5 SER CB C 24 63.800 63.800 62.236 1.564 17719
5499 1 16 . 1 1 5 5 SER H H 24 8.300 8.300 8.128 0.172 17719
5500 1 16 . 1 1 6 6 LEU N N 25 124.200 124.200 126.823 -2.623 17719
5501 1 16 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.510 -0.080 17719
5502 1 16 . 1 1 6 6 LEU C C 25 177.300 177.300 176.851 0.449 17719
5503 1 16 . 1 1 6 6 LEU CA C 25 55.100 55.100 54.617 0.483 17719
5504 1 16 . 1 1 6 6 LEU CB C 25 42.400 42.400 42.342 0.058 17719
5505 1 16 . 1 1 6 6 LEU H H 25 8.320 8.320 8.079 0.241 17719
5506 1 16 . 1 1 7 7 SER N N 26 118.100 118.100 121.560 -3.460 17719
5507 1 16 . 1 1 7 7 SER HA H 26 4.780 4.780 4.780 0.000 17719
5508 1 16 . 1 1 7 7 SER C C 26 172.500 172.500 172.861 -0.361 17719
5509 1 16 . 1 1 7 7 SER CA C 26 56.400 56.400 55.565 0.835 17719
5510 1 16 . 1 1 7 7 SER CB C 26 63.300 63.300 64.241 -0.941 17719
5511 1 16 . 1 1 7 7 SER H H 26 8.330 8.330 8.714 -0.384 17719
5512 1 16 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.408 0.062 17719
5513 1 16 . 1 1 8 8 PRO C C 27 176.600 176.600 175.850 0.750 17719
5514 1 16 . 1 1 8 8 PRO CA C 27 63.000 63.000 63.033 -0.033 17719
5515 1 16 . 1 1 8 8 PRO CB C 27 32.400 32.400 31.428 0.972 17719
5516 1 16 . 1 1 9 9 LYS N N 28 122.600 122.600 126.634 -4.034 17719
5517 1 16 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.428 -0.208 17719
5518 1 16 . 1 1 9 9 LYS C C 28 175.600 175.600 175.263 0.337 17719
5519 1 16 . 1 1 9 9 LYS CA C 28 56.500 56.500 55.743 0.757 17719
5520 1 16 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.045 0.055 17719
5521 1 16 . 1 1 9 9 LYS H H 28 8.410 8.410 8.225 0.185 17719
5522 1 16 . 1 1 10 10 LYS N N 29 123.700 123.700 122.234 1.466 17719
5523 1 16 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.277 0.043 17719
5524 1 16 . 1 1 10 10 LYS C C 29 175.800 175.800 174.681 1.119 17719
5525 1 16 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.496 0.804 17719
5526 1 16 . 1 1 10 10 LYS CB C 29 33.900 33.900 35.499 -1.599 17719
5527 1 16 . 1 1 10 10 LYS H H 29 8.290 8.290 8.104 0.186 17719
5528 1 16 . 1 1 11 11 VAL N N 30 122.800 122.800 118.645 4.155 17719
5529 1 16 . 1 1 11 11 VAL HA H 30 3.830 3.830 4.093 -0.263 17719
5530 1 16 . 1 1 11 11 VAL C C 30 174.400 174.400 175.746 -1.346 17719
5531 1 16 . 1 1 11 11 VAL CA C 30 62.200 62.200 61.347 0.853 17719
5532 1 16 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.541 0.859 17719
5533 1 16 . 1 1 11 11 VAL H H 30 8.010 8.010 8.240 -0.230 17719
5534 1 16 . 1 1 12 12 ASP N N 31 126.200 126.200 122.707 3.493 17719
5535 1 16 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.622 0.198 17719
5536 1 16 . 1 1 12 12 ASP C C 31 176.800 176.800 175.345 1.455 17719
5537 1 16 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.020 -1.820 17719
5538 1 16 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.413 0.588 17719
5539 1 16 . 1 1 12 12 ASP H H 31 8.580 8.580 8.489 0.091 17719
5540 1 16 . 1 1 13 13 CYS N N 32 121.600 121.600 124.328 -2.728 17719
5541 1 16 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.683 0.367 17719
5542 1 16 . 1 1 13 13 CYS C C 32 176.800 176.800 175.907 0.893 17719
5543 1 16 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.562 -5.162 17719
5544 1 16 . 1 1 13 13 CYS CB C 32 33.400 33.400 28.015 5.385 17719
5545 1 16 . 1 1 13 13 CYS H H 32 9.070 9.070 8.550 0.520 17719
5546 1 16 . 1 1 14 14 SER N N 33 118.000 118.000 117.312 0.688 17719
5547 1 16 . 1 1 14 14 SER HA H 33 4.030 4.030 4.042 -0.012 17719
5548 1 16 . 1 1 14 14 SER C C 33 177.100 177.100 176.125 0.975 17719
5549 1 16 . 1 1 14 14 SER CA C 33 62.400 62.400 61.766 0.634 17719
5550 1 16 . 1 1 14 14 SER CB C 33 62.600 62.600 63.119 -0.519 17719
5551 1 16 . 1 1 14 14 SER H H 33 8.760 8.760 8.095 0.665 17719
5552 1 16 . 1 1 15 15 ILE N N 34 117.700 117.700 116.831 0.869 17719
5553 1 16 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.635 0.355 17719
5554 1 16 . 1 1 15 15 ILE C C 34 176.600 176.600 176.874 -0.274 17719
5555 1 16 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.007 -0.507 17719
5556 1 16 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.416 -0.016 17719
5557 1 16 . 1 1 15 15 ILE H H 34 7.200 7.200 8.560 -1.360 17719
5558 1 16 . 1 1 16 16 TYR N N 35 118.000 118.000 118.637 -0.637 17719
5559 1 16 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.635 -0.025 17719
5560 1 16 . 1 1 16 16 TYR C C 35 176.300 176.300 177.871 -1.571 17719
5561 1 16 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.889 -1.089 17719
5562 1 16 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.056 -0.456 17719
5563 1 16 . 1 1 16 16 TYR H H 35 7.470 7.470 7.331 0.139 17719
5564 1 16 . 1 1 17 17 LYS N N 36 119.200 119.200 118.649 0.551 17719
5565 1 16 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.170 0.060 17719
5566 1 16 . 1 1 17 17 LYS C C 36 176.300 176.300 176.871 -0.571 17719
5567 1 16 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.292 0.408 17719
5568 1 16 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.088 0.212 17719
5569 1 16 . 1 1 17 17 LYS H H 36 7.590 7.590 7.564 0.026 17719
5570 1 16 . 1 1 18 18 LYS N N 37 115.100 115.100 116.652 -1.552 17719
5571 1 16 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.150 -0.000 17719
5572 1 16 . 1 1 18 18 LYS C C 37 175.500 175.500 176.118 -0.618 17719
5573 1 16 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.335 0.365 17719
5574 1 16 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.079 -0.379 17719
5575 1 16 . 1 1 18 18 LYS H H 37 7.410 7.410 7.160 0.250 17719
5576 1 16 . 1 1 19 19 TYR N N 38 120.200 120.200 119.698 0.502 17719
5577 1 16 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.778 0.032 17719
5578 1 16 . 1 1 19 19 TYR C C 38 173.600 173.600 173.495 0.105 17719
5579 1 16 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.551 1.949 17719
5580 1 16 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.388 -0.188 17719
5581 1 16 . 1 1 19 19 TYR H H 38 7.390 7.390 7.503 -0.113 17719
5582 1 16 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.436 0.144 17719
5583 1 16 . 1 1 20 20 PRO C C 39 179.000 179.000 177.892 1.108 17719
5584 1 16 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.994 0.106 17719
5585 1 16 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.666 -0.966 17719
5586 1 16 . 1 1 21 21 VAL N N 40 123.200 123.200 122.476 0.724 17719
5587 1 16 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.725 0.295 17719
5588 1 16 . 1 1 21 21 VAL C C 40 176.400 176.400 177.323 -0.923 17719
5589 1 16 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.495 -0.795 17719
5590 1 16 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.346 0.654 17719
5591 1 16 . 1 1 21 21 VAL H H 40 8.400 8.400 8.546 -0.146 17719
5592 1 16 . 1 1 22 22 VAL N N 41 110.600 110.600 110.942 -0.342 17719
5593 1 16 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.074 0.136 17719
5594 1 16 . 1 1 22 22 VAL C C 41 175.600 175.600 175.639 -0.039 17719
5595 1 16 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.869 -1.369 17719
5596 1 16 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.705 0.095 17719
5597 1 16 . 1 1 22 22 VAL H H 41 7.140 7.140 7.638 -0.498 17719
5598 1 16 . 1 1 23 23 ALA N N 42 126.600 126.600 124.154 2.446 17719
5599 1 16 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.616 -0.126 17719
5600 1 16 . 1 1 23 23 ALA C C 42 175.700 175.700 175.885 -0.185 17719
5601 1 16 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.142 0.259 17719
5602 1 16 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.465 -0.365 17719
5603 1 16 . 1 1 23 23 ALA H H 42 8.280 8.280 7.609 0.671 17719
5604 1 16 . 1 1 24 24 ILE N N 43 123.300 123.300 124.491 -1.191 17719
5605 1 16 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.306 -0.466 17719
5606 1 16 . 1 1 24 24 ILE C C 43 174.900 174.900 173.522 1.378 17719
5607 1 16 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.897 1.603 17719
5608 1 16 . 1 1 24 24 ILE CB C 43 39.000 39.000 39.874 -0.874 17719
5609 1 16 . 1 1 24 24 ILE H H 43 7.970 7.970 8.060 -0.090 17719
5610 1 16 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.347 0.133 17719
5611 1 16 . 1 1 25 25 PRO C C 44 175.900 175.900 175.624 0.276 17719
5612 1 16 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.526 -0.726 17719
5613 1 16 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.707 -1.307 17719
5614 1 16 . 1 1 26 26 CYS N N 45 120.500 120.500 121.906 -1.406 17719
5615 1 16 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.600 0.790 17719
5616 1 16 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.276 -6.376 17719
5617 1 16 . 1 1 26 26 CYS CB C 45 35.400 35.400 27.890 7.510 17719
5618 1 16 . 1 1 26 26 CYS H H 45 8.290 8.290 8.203 0.087 17719
5619 1 16 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.591 0.059 17719
5620 1 16 . 1 1 27 27 PRO C C 46 177.000 177.000 176.253 0.747 17719
5621 1 16 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.706 -0.306 17719
5622 1 16 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.399 0.501 17719
5623 1 16 . 1 1 28 28 ILE N N 47 116.600 116.600 113.604 2.996 17719
5624 1 16 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.278 0.082 17719
5625 1 16 . 1 1 28 28 ILE C C 47 176.200 176.200 175.622 0.578 17719
5626 1 16 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.618 -0.319 17719
5627 1 16 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.699 0.301 17719
5628 1 16 . 1 1 28 28 ILE H H 47 8.590 8.590 8.161 0.429 17719
5629 1 16 . 1 1 29 29 THR N N 48 114.700 114.700 117.990 -3.290 17719
5630 1 16 . 1 1 29 29 THR HA H 48 3.890 3.890 4.381 -0.491 17719
5631 1 16 . 1 1 29 29 THR C C 48 173.200 173.200 173.354 -0.154 17719
5632 1 16 . 1 1 29 29 THR CA C 48 62.600 62.600 62.340 0.260 17719
5633 1 16 . 1 1 29 29 THR CB C 48 70.000 70.000 69.245 0.755 17719
5634 1 16 . 1 1 29 29 THR H H 48 7.130 7.130 7.567 -0.437 17719
5635 1 16 . 1 1 30 30 TYR N N 49 129.100 129.100 128.678 0.422 17719
5636 1 16 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.777 0.183 17719
5637 1 16 . 1 1 30 30 TYR C C 49 173.900 173.900 174.750 -0.850 17719
5638 1 16 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.749 -0.149 17719
5639 1 16 . 1 1 30 30 TYR CB C 49 38.000 38.000 38.860 -0.860 17719
5640 1 16 . 1 1 30 30 TYR H H 49 9.020 9.020 8.688 0.332 17719
5641 1 16 . 1 1 31 31 LEU N N 50 131.700 131.700 130.487 1.213 17719
5642 1 16 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.821 -0.261 17719
5643 1 16 . 1 1 31 31 LEU C C 50 172.200 172.200 174.514 -2.314 17719
5644 1 16 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.506 1.094 17719
5645 1 16 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.447 -0.547 17719
5646 1 16 . 1 1 31 31 LEU H H 50 8.600 8.600 8.646 -0.046 17719
5647 1 16 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.697 -0.257 17719
5648 1 16 . 1 1 32 32 PRO C C 51 176.800 176.800 176.409 0.391 17719
5649 1 16 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.439 0.261 17719
5650 1 16 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.264 1.637 17719
5651 1 16 . 1 1 33 33 VAL N N 52 110.700 110.700 118.682 -7.982 17719
5652 1 16 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.593 0.127 17719
5653 1 16 . 1 1 33 33 VAL C C 52 172.600 172.600 173.943 -1.343 17719
5654 1 16 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.693 -0.093 17719
5655 1 16 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.179 0.521 17719
5656 1 16 . 1 1 33 33 VAL H H 52 8.230 8.230 8.249 -0.019 17719
5657 1 16 . 1 1 34 34 CYS N N 53 122.200 122.200 121.770 0.430 17719
5658 1 16 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.204 -0.114 17719
5659 1 16 . 1 1 34 34 CYS C C 53 175.600 175.600 174.794 0.806 17719
5660 1 16 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.074 -1.574 17719
5661 1 16 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.702 10.598 17719
5662 1 16 . 1 1 34 34 CYS H H 53 8.550 8.550 8.274 0.276 17719
5663 1 16 . 1 1 35 35 GLY N N 54 115.900 115.900 113.493 2.407 17719
5664 1 16 . 1 1 35 35 GLY C C 54 174.500 174.500 175.047 -0.547 17719
5665 1 16 . 1 1 35 35 GLY CA C 54 44.700 44.700 44.005 0.695 17719
5666 1 16 . 1 1 35 35 GLY H H 54 9.060 9.060 9.150 -0.090 17719
5667 1 16 . 1 1 36 36 SER N N 55 113.400 113.400 116.306 -2.906 17719
5668 1 16 . 1 1 36 36 SER HA H 55 3.760 3.760 3.967 -0.207 17719
5669 1 16 . 1 1 36 36 SER C C 55 173.300 173.300 175.050 -1.750 17719
5670 1 16 . 1 1 36 36 SER CA C 55 60.400 60.400 61.223 -0.823 17719
5671 1 16 . 1 1 36 36 SER CB C 55 62.300 62.300 63.224 -0.924 17719
5672 1 16 . 1 1 36 36 SER H H 55 9.270 9.270 8.734 0.536 17719
5673 1 16 . 1 1 37 37 ASP N N 56 121.100 121.100 120.402 0.698 17719
5674 1 16 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.667 -0.327 17719
5675 1 16 . 1 1 37 37 ASP C C 56 175.600 175.600 175.764 -0.164 17719
5676 1 16 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.957 -0.857 17719
5677 1 16 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.819 -1.218 17719
5678 1 16 . 1 1 37 37 ASP H H 56 9.150 9.150 8.194 0.956 17719
5679 1 16 . 1 1 38 38 TYR N N 57 116.100 116.100 114.520 1.580 17719
5680 1 16 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.206 -0.196 17719
5681 1 16 . 1 1 38 38 TYR C C 57 174.700 174.700 174.320 0.380 17719
5682 1 16 . 1 1 38 38 TYR CA C 57 61.000 61.000 58.904 2.096 17719
5683 1 16 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.503 -1.203 17719
5684 1 16 . 1 1 38 38 TYR H H 57 8.630 8.630 7.683 0.947 17719
5685 1 16 . 1 1 39 39 ILE N N 58 120.700 120.700 120.654 0.046 17719
5686 1 16 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.322 -0.312 17719
5687 1 16 . 1 1 39 39 ILE C C 58 174.900 174.900 175.529 -0.629 17719
5688 1 16 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.076 0.224 17719
5689 1 16 . 1 1 39 39 ILE CB C 58 37.600 37.600 39.662 -2.062 17719
5690 1 16 . 1 1 39 39 ILE H H 58 7.480 7.480 7.429 0.051 17719
5691 1 16 . 1 1 40 40 THR N N 59 123.700 123.700 123.050 0.650 17719
5692 1 16 . 1 1 40 40 THR HA H 59 4.670 4.670 4.807 -0.137 17719
5693 1 16 . 1 1 40 40 THR C C 59 174.800 174.800 173.522 1.278 17719
5694 1 16 . 1 1 40 40 THR CA C 59 62.700 62.700 62.585 0.115 17719
5695 1 16 . 1 1 40 40 THR CB C 59 68.900 68.900 69.708 -0.808 17719
5696 1 16 . 1 1 40 40 THR H H 59 8.090 8.090 8.383 -0.293 17719
5697 1 16 . 1 1 41 41 TYR N N 60 129.700 129.700 125.316 4.384 17719
5698 1 16 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.694 -0.284 17719
5699 1 16 . 1 1 41 41 TYR C C 60 177.200 177.200 176.594 0.606 17719
5700 1 16 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.060 1.140 17719
5701 1 16 . 1 1 41 41 TYR CB C 60 41.800 41.800 41.358 0.442 17719
5702 1 16 . 1 1 41 41 TYR H H 60 9.550 9.550 9.158 0.392 17719
5703 1 16 . 1 1 42 42 GLY N N 61 107.800 107.800 108.348 -0.548 17719
5704 1 16 . 1 1 42 42 GLY C C 61 172.800 172.800 172.601 0.199 17719
5705 1 16 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.653 2.047 17719
5706 1 16 . 1 1 42 42 GLY H H 61 9.310 9.310 9.033 0.277 17719
5707 1 16 . 1 1 43 43 ASN N N 62 104.600 104.600 112.971 -8.371 17719
5708 1 16 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.132 -0.182 17719
5709 1 16 . 1 1 43 43 ASN C C 62 176.700 176.700 175.115 1.585 17719
5710 1 16 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.867 0.633 17719
5711 1 16 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.829 0.071 17719
5712 1 16 . 1 1 43 43 ASN H H 62 7.380 7.380 7.722 -0.342 17719
5713 1 16 . 1 1 44 44 GLU N N 63 118.300 118.300 119.598 -1.298 17719
5714 1 16 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.061 -0.171 17719
5715 1 16 . 1 1 44 44 GLU C C 63 176.100 176.100 177.483 -1.383 17719
5716 1 16 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.360 0.340 17719
5717 1 16 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.666 1.134 17719
5718 1 16 . 1 1 44 44 GLU H H 63 9.310 9.310 8.749 0.561 17719
5719 1 16 . 1 1 45 45 CYS N N 64 121.400 121.400 121.444 -0.044 17719
5720 1 16 . 1 1 45 45 CYS HA H 64 3.370 3.370 2.856 0.514 17719
5721 1 16 . 1 1 45 45 CYS C C 64 177.700 177.700 176.163 1.537 17719
5722 1 16 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.848 -1.748 17719
5723 1 16 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.303 10.097 17719
5724 1 16 . 1 1 45 45 CYS H H 64 8.270 8.270 8.277 -0.007 17719
5725 1 16 . 1 1 46 46 HIS N N 65 121.000 121.000 118.694 2.306 17719
5726 1 16 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.289 0.091 17719
5727 1 16 . 1 1 46 46 HIS C C 65 177.800 177.800 177.779 0.021 17719
5728 1 16 . 1 1 46 46 HIS CA C 65 59.700 59.700 58.844 0.856 17719
5729 1 16 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.125 0.375 17719
5730 1 16 . 1 1 46 46 HIS H H 65 8.120 8.120 8.317 -0.197 17719
5731 1 16 . 1 1 47 47 LEU N N 66 122.300 122.300 121.222 1.078 17719
5732 1 16 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.121 -0.271 17719
5733 1 16 . 1 1 47 47 LEU C C 66 178.300 178.300 178.441 -0.141 17719
5734 1 16 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.593 0.907 17719
5735 1 16 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.348 -0.748 17719
5736 1 16 . 1 1 47 47 LEU H H 66 7.630 7.630 7.803 -0.173 17719
5737 1 16 . 1 1 48 48 CYS N N 67 117.500 117.500 118.410 -0.910 17719
5738 1 16 . 1 1 48 48 CYS HA H 67 4.440 4.440 4.030 0.409 17719
5739 1 16 . 1 1 48 48 CYS C C 67 176.700 176.700 176.950 -0.250 17719
5740 1 16 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.379 -5.178 17719
5741 1 16 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.207 9.893 17719
5742 1 16 . 1 1 48 48 CYS H H 67 8.960 8.960 8.281 0.679 17719
5743 1 16 . 1 1 49 49 THR N N 68 118.000 118.000 117.841 0.159 17719
5744 1 16 . 1 1 49 49 THR HA H 68 3.800 3.800 3.894 -0.094 17719
5745 1 16 . 1 1 49 49 THR C C 68 175.400 175.400 176.561 -1.161 17719
5746 1 16 . 1 1 49 49 THR CA C 68 67.600 67.600 67.092 0.508 17719
5747 1 16 . 1 1 49 49 THR CB C 68 68.800 68.800 68.504 0.296 17719
5748 1 16 . 1 1 49 49 THR H H 68 8.330 8.330 8.313 0.017 17719
5749 1 16 . 1 1 50 50 GLU N N 69 121.300 121.300 120.932 0.368 17719
5750 1 16 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.119 0.141 17719
5751 1 16 . 1 1 50 50 GLU C C 69 180.000 180.000 178.544 1.456 17719
5752 1 16 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.622 -0.422 17719
5753 1 16 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.190 -0.590 17719
5754 1 16 . 1 1 50 50 GLU H H 69 7.070 7.070 7.984 -0.914 17719
5755 1 16 . 1 1 51 51 SER N N 70 117.100 117.100 116.696 0.404 17719
5756 1 16 . 1 1 51 51 SER HA H 70 4.030 4.030 4.300 -0.270 17719
5757 1 16 . 1 1 51 51 SER C C 70 177.800 177.800 176.644 1.156 17719
5758 1 16 . 1 1 51 51 SER CA C 70 62.400 62.400 61.935 0.465 17719
5759 1 16 . 1 1 51 51 SER CB C 70 64.900 64.900 62.887 2.013 17719
5760 1 16 . 1 1 51 51 SER H H 70 9.040 9.040 7.891 1.149 17719
5761 1 16 . 1 1 52 52 LEU N N 71 119.100 119.100 120.278 -1.178 17719
5762 1 16 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.027 0.173 17719
5763 1 16 . 1 1 52 52 LEU C C 71 181.400 181.400 179.324 2.076 17719
5764 1 16 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.653 0.247 17719
5765 1 16 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.560 -0.260 17719
5766 1 16 . 1 1 52 52 LEU H H 71 8.540 8.540 8.542 -0.002 17719
5767 1 16 . 1 1 53 53 LYS N N 72 121.700 121.700 121.003 0.697 17719
5768 1 16 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.107 -0.067 17719
5769 1 16 . 1 1 53 53 LYS C C 72 177.600 177.600 177.856 -0.256 17719
5770 1 16 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.975 0.825 17719
5771 1 16 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.691 0.409 17719
5772 1 16 . 1 1 53 53 LYS H H 72 8.380 8.380 7.681 0.699 17719
5773 1 16 . 1 1 54 54 SER N N 73 111.300 111.300 113.487 -2.187 17719
5774 1 16 . 1 1 54 54 SER HA H 73 4.600 4.600 4.634 -0.034 17719
5775 1 16 . 1 1 54 54 SER C C 73 175.300 175.300 173.196 2.104 17719
5776 1 16 . 1 1 54 54 SER CA C 73 58.300 58.300 58.493 -0.193 17719
5777 1 16 . 1 1 54 54 SER CB C 73 64.700 64.700 63.077 1.623 17719
5778 1 16 . 1 1 54 54 SER H H 73 8.150 8.150 8.201 -0.051 17719
5779 1 16 . 1 1 55 55 ASN N N 74 120.000 120.000 117.845 2.155 17719
5780 1 16 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.337 0.173 17719
5781 1 16 . 1 1 55 55 ASN C C 74 175.600 175.600 175.429 0.171 17719
5782 1 16 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.222 0.278 17719
5783 1 16 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.827 0.273 17719
5784 1 16 . 1 1 55 55 ASN H H 74 8.070 8.070 7.785 0.285 17719
5785 1 16 . 1 1 56 56 GLY N N 75 103.900 103.900 103.665 0.235 17719
5786 1 16 . 1 1 56 56 GLY C C 75 174.700 174.700 174.717 -0.017 17719
5787 1 16 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.032 -0.032 17719
5788 1 16 . 1 1 56 56 GLY H H 75 8.970 8.970 8.672 0.298 17719
5789 1 16 . 1 1 57 57 ARG N N 76 122.200 122.200 120.560 1.640 17719
5790 1 16 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.191 -0.151 17719
5791 1 16 . 1 1 57 57 ARG C C 76 177.200 177.200 175.397 1.803 17719
5792 1 16 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.177 1.023 17719
5793 1 16 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.669 -0.269 17719
5794 1 16 . 1 1 57 57 ARG H H 76 7.600 7.600 7.741 -0.141 17719
5795 1 16 . 1 1 58 58 VAL N N 77 117.000 117.000 117.787 -0.787 17719
5796 1 16 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.945 -1.235 17719
5797 1 16 . 1 1 58 58 VAL C C 77 174.500 174.500 174.189 0.311 17719
5798 1 16 . 1 1 58 58 VAL CA C 77 63.200 63.200 59.825 3.376 17719
5799 1 16 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.506 0.294 17719
5800 1 16 . 1 1 58 58 VAL H H 77 7.340 7.340 7.851 -0.511 17719
5801 1 16 . 1 1 59 59 GLN N N 78 125.000 125.000 127.723 -2.723 17719
5802 1 16 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.659 -0.179 17719
5803 1 16 . 1 1 59 59 GLN C C 78 174.900 174.900 173.766 1.134 17719
5804 1 16 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.827 -0.027 17719
5805 1 16 . 1 1 59 59 GLN CB C 78 32.600 32.600 33.227 -0.627 17719
5806 1 16 . 1 1 59 59 GLN H H 78 8.510 8.510 8.886 -0.376 17719
5807 1 16 . 1 1 60 60 PHE N N 79 121.400 121.400 122.098 -0.698 17719
5808 1 16 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.290 -0.340 17719
5809 1 16 . 1 1 60 60 PHE C C 79 173.900 173.900 175.075 -1.175 17719
5810 1 16 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.988 0.312 17719
5811 1 16 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.019 0.881 17719
5812 1 16 . 1 1 60 60 PHE H H 79 9.050 9.050 8.816 0.234 17719
5813 1 16 . 1 1 61 61 LEU N N 80 128.900 128.900 129.337 -0.437 17719
5814 1 16 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.291 0.229 17719
5815 1 16 . 1 1 61 61 LEU C C 80 175.700 175.700 174.861 0.839 17719
5816 1 16 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.453 0.547 17719
5817 1 16 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.527 0.873 17719
5818 1 16 . 1 1 61 61 LEU H H 80 8.270 8.270 8.400 -0.130 17719
5819 1 16 . 1 1 62 62 HIS N N 81 107.500 107.500 109.675 -2.175 17719
5820 1 16 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.263 0.107 17719
5821 1 16 . 1 1 62 62 HIS C C 81 172.000 172.000 172.426 -0.426 17719
5822 1 16 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.592 1.508 17719
5823 1 16 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.546 -1.846 17719
5824 1 16 . 1 1 62 62 HIS H H 81 6.860 6.860 6.865 -0.005 17719
5825 1 16 . 1 1 63 63 ASP N N 82 120.900 120.900 119.914 0.986 17719
5826 1 16 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.549 0.351 17719
5827 1 16 . 1 1 63 63 ASP C C 82 178.500 178.500 176.906 1.594 17719
5828 1 16 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.956 0.644 17719
5829 1 16 . 1 1 63 63 ASP CB C 82 42.400 42.400 42.017 0.383 17719
5830 1 16 . 1 1 63 63 ASP H H 82 9.330 9.330 8.485 0.845 17719
5831 1 16 . 1 1 64 64 GLY N N 83 114.500 114.500 113.564 0.936 17719
5832 1 16 . 1 1 64 64 GLY C C 83 170.400 170.400 173.733 -3.333 17719
5833 1 16 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.381 0.519 17719
5834 1 16 . 1 1 64 64 GLY H H 83 8.330 8.330 8.371 -0.041 17719
5835 1 16 . 1 1 65 65 SER N N 84 107.400 107.400 116.372 -8.972 17719
5836 1 16 . 1 1 65 65 SER HA H 84 4.140 4.140 4.269 -0.129 17719
5837 1 16 . 1 1 65 65 SER C C 84 176.400 176.400 175.386 1.014 17719
5838 1 16 . 1 1 65 65 SER CA C 84 58.300 58.300 58.931 -0.631 17719
5839 1 16 . 1 1 65 65 SER CB C 84 63.900 63.900 63.902 -0.002 17719
5840 1 16 . 1 1 65 65 SER H H 84 7.870 7.870 8.187 -0.317 17719
5841 1 17 . 1 1 2 2 GLU N N 21 121.800 121.800 124.927 -3.127 17719
5842 1 17 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.713 -0.323 17719
5843 1 17 . 1 1 2 2 GLU C C 21 176.100 176.100 176.400 -0.300 17719
5844 1 17 . 1 1 2 2 GLU CA C 21 56.200 56.200 55.434 0.766 17719
5845 1 17 . 1 1 2 2 GLU CB C 21 30.300 30.300 30.915 -0.615 17719
5846 1 17 . 1 1 2 2 GLU H H 21 8.860 8.860 8.822 0.038 17719
5847 1 17 . 1 1 3 3 ALA N N 22 126.000 126.000 123.165 2.835 17719
5848 1 17 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.399 -0.129 17719
5849 1 17 . 1 1 3 3 ALA C C 22 177.700 177.700 178.281 -0.581 17719
5850 1 17 . 1 1 3 3 ALA CA C 22 52.600 52.600 53.484 -0.884 17719
5851 1 17 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.168 -0.068 17719
5852 1 17 . 1 1 3 3 ALA H H 22 8.550 8.550 8.271 0.279 17719
5853 1 17 . 1 1 4 4 ALA N N 23 123.600 123.600 121.424 2.176 17719
5854 1 17 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.528 -0.218 17719
5855 1 17 . 1 1 4 4 ALA C C 23 177.900 177.900 176.625 1.275 17719
5856 1 17 . 1 1 4 4 ALA CA C 23 52.600 52.600 51.962 0.638 17719
5857 1 17 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.065 0.035 17719
5858 1 17 . 1 1 4 4 ALA H H 23 8.400 8.400 8.340 0.060 17719
5859 1 17 . 1 1 5 5 SER N N 24 115.100 115.100 115.501 -0.401 17719
5860 1 17 . 1 1 5 5 SER HA H 24 4.440 4.440 4.743 -0.303 17719
5861 1 17 . 1 1 5 5 SER C C 24 174.500 174.500 172.997 1.503 17719
5862 1 17 . 1 1 5 5 SER CA C 24 58.200 58.200 57.476 0.724 17719
5863 1 17 . 1 1 5 5 SER CB C 24 63.800 63.800 64.213 -0.413 17719
5864 1 17 . 1 1 5 5 SER H H 24 8.300 8.300 7.835 0.465 17719
5865 1 17 . 1 1 6 6 LEU N N 25 124.200 124.200 122.827 1.373 17719
5866 1 17 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.592 -0.162 17719
5867 1 17 . 1 1 6 6 LEU C C 25 177.300 177.300 176.234 1.066 17719
5868 1 17 . 1 1 6 6 LEU CA C 25 55.100 55.100 54.844 0.256 17719
5869 1 17 . 1 1 6 6 LEU CB C 25 42.400 42.400 42.493 -0.093 17719
5870 1 17 . 1 1 6 6 LEU H H 25 8.320 8.320 8.442 -0.122 17719
5871 1 17 . 1 1 7 7 SER N N 26 118.100 118.100 116.744 1.356 17719
5872 1 17 . 1 1 7 7 SER HA H 26 4.780 4.780 4.855 -0.075 17719
5873 1 17 . 1 1 7 7 SER C C 26 172.500 172.500 172.581 -0.081 17719
5874 1 17 . 1 1 7 7 SER CA C 26 56.400 56.400 57.218 -0.817 17719
5875 1 17 . 1 1 7 7 SER CB C 26 63.300 63.300 63.442 -0.142 17719
5876 1 17 . 1 1 7 7 SER H H 26 8.330 8.330 8.719 -0.389 17719
5877 1 17 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.533 -0.063 17719
5878 1 17 . 1 1 8 8 PRO C C 27 176.600 176.600 175.299 1.301 17719
5879 1 17 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.343 0.657 17719
5880 1 17 . 1 1 8 8 PRO CB C 27 32.400 32.400 32.293 0.107 17719
5881 1 17 . 1 1 9 9 LYS N N 28 122.600 122.600 119.855 2.745 17719
5882 1 17 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.494 -0.274 17719
5883 1 17 . 1 1 9 9 LYS C C 28 175.600 175.600 175.396 0.204 17719
5884 1 17 . 1 1 9 9 LYS CA C 28 56.500 56.500 55.659 0.841 17719
5885 1 17 . 1 1 9 9 LYS CB C 28 33.100 33.100 34.297 -1.197 17719
5886 1 17 . 1 1 9 9 LYS H H 28 8.410 8.410 8.359 0.051 17719
5887 1 17 . 1 1 10 10 LYS N N 29 123.700 123.700 120.754 2.946 17719
5888 1 17 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.483 -0.163 17719
5889 1 17 . 1 1 10 10 LYS C C 29 175.800 175.800 175.211 0.589 17719
5890 1 17 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.396 0.904 17719
5891 1 17 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.237 -0.337 17719
5892 1 17 . 1 1 10 10 LYS H H 29 8.290 8.290 8.217 0.073 17719
5893 1 17 . 1 1 11 11 VAL N N 30 122.800 122.800 120.402 2.398 17719
5894 1 17 . 1 1 11 11 VAL HA H 30 3.830 3.830 4.018 -0.188 17719
5895 1 17 . 1 1 11 11 VAL C C 30 174.400 174.400 174.881 -0.481 17719
5896 1 17 . 1 1 11 11 VAL CA C 30 62.200 62.200 60.693 1.507 17719
5897 1 17 . 1 1 11 11 VAL CB C 30 33.400 33.400 34.135 -0.735 17719
5898 1 17 . 1 1 11 11 VAL H H 30 8.010 8.010 8.169 -0.159 17719
5899 1 17 . 1 1 12 12 ASP N N 31 126.200 126.200 127.899 -1.699 17719
5900 1 17 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.553 0.267 17719
5901 1 17 . 1 1 12 12 ASP C C 31 176.800 176.800 175.300 1.500 17719
5902 1 17 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.778 -2.578 17719
5903 1 17 . 1 1 12 12 ASP CB C 31 41.000 41.000 39.993 1.007 17719
5904 1 17 . 1 1 12 12 ASP H H 31 8.580 8.580 8.579 0.001 17719
5905 1 17 . 1 1 13 13 CYS N N 32 121.600 121.600 124.723 -3.123 17719
5906 1 17 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.816 0.234 17719
5907 1 17 . 1 1 13 13 CYS C C 32 176.800 176.800 175.766 1.034 17719
5908 1 17 . 1 1 13 13 CYS CA C 32 53.400 53.400 57.677 -4.277 17719
5909 1 17 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.706 5.694 17719
5910 1 17 . 1 1 13 13 CYS H H 32 9.070 9.070 8.495 0.575 17719
5911 1 17 . 1 1 14 14 SER N N 33 118.000 118.000 118.635 -0.635 17719
5912 1 17 . 1 1 14 14 SER HA H 33 4.030 4.030 4.165 -0.135 17719
5913 1 17 . 1 1 14 14 SER C C 33 177.100 177.100 176.460 0.640 17719
5914 1 17 . 1 1 14 14 SER CA C 33 62.400 62.400 61.810 0.590 17719
5915 1 17 . 1 1 14 14 SER CB C 33 62.600 62.600 63.133 -0.533 17719
5916 1 17 . 1 1 14 14 SER H H 33 8.760 8.760 7.668 1.092 17719
5917 1 17 . 1 1 15 15 ILE N N 34 117.700 117.700 117.267 0.433 17719
5918 1 17 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.705 0.285 17719
5919 1 17 . 1 1 15 15 ILE C C 34 176.600 176.600 175.998 0.602 17719
5920 1 17 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.167 -0.667 17719
5921 1 17 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.498 -0.098 17719
5922 1 17 . 1 1 15 15 ILE H H 34 7.200 7.200 8.857 -1.657 17719
5923 1 17 . 1 1 16 16 TYR N N 35 118.000 118.000 117.084 0.916 17719
5924 1 17 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.788 -0.178 17719
5925 1 17 . 1 1 16 16 TYR C C 35 176.300 176.300 177.296 -0.996 17719
5926 1 17 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.096 -0.296 17719
5927 1 17 . 1 1 16 16 TYR CB C 35 37.600 37.600 37.965 -0.365 17719
5928 1 17 . 1 1 16 16 TYR H H 35 7.470 7.470 7.727 -0.257 17719
5929 1 17 . 1 1 17 17 LYS N N 36 119.200 119.200 119.453 -0.253 17719
5930 1 17 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.107 0.123 17719
5931 1 17 . 1 1 17 17 LYS C C 36 176.300 176.300 177.287 -0.987 17719
5932 1 17 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.529 0.172 17719
5933 1 17 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.834 0.466 17719
5934 1 17 . 1 1 17 17 LYS H H 36 7.590 7.590 7.586 0.004 17719
5935 1 17 . 1 1 18 18 LYS N N 37 115.100 115.100 117.702 -2.602 17719
5936 1 17 . 1 1 18 18 LYS HA H 37 4.150 4.150 3.926 0.224 17719
5937 1 17 . 1 1 18 18 LYS C C 37 175.500 175.500 176.629 -1.129 17719
5938 1 17 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.755 -1.055 17719
5939 1 17 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.529 -0.829 17719
5940 1 17 . 1 1 18 18 LYS H H 37 7.410 7.410 7.732 -0.322 17719
5941 1 17 . 1 1 19 19 TYR N N 38 120.200 120.200 118.570 1.630 17719
5942 1 17 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.782 0.028 17719
5943 1 17 . 1 1 19 19 TYR C C 38 173.600 173.600 173.771 -0.171 17719
5944 1 17 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.744 1.756 17719
5945 1 17 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.726 0.474 17719
5946 1 17 . 1 1 19 19 TYR H H 38 7.390 7.390 7.505 -0.115 17719
5947 1 17 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.529 0.051 17719
5948 1 17 . 1 1 20 20 PRO C C 39 179.000 179.000 177.496 1.504 17719
5949 1 17 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.862 0.238 17719
5950 1 17 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.769 -1.069 17719
5951 1 17 . 1 1 21 21 VAL N N 40 123.200 123.200 120.910 2.290 17719
5952 1 17 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.815 0.205 17719
5953 1 17 . 1 1 21 21 VAL C C 40 176.400 176.400 176.792 -0.392 17719
5954 1 17 . 1 1 21 21 VAL CA C 40 64.700 64.700 64.813 -0.113 17719
5955 1 17 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.907 0.093 17719
5956 1 17 . 1 1 21 21 VAL H H 40 8.400 8.400 8.436 -0.036 17719
5957 1 17 . 1 1 22 22 VAL N N 41 110.600 110.600 117.307 -6.707 17719
5958 1 17 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.063 0.147 17719
5959 1 17 . 1 1 22 22 VAL C C 41 175.600 175.600 175.490 0.110 17719
5960 1 17 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.356 -0.856 17719
5961 1 17 . 1 1 22 22 VAL CB C 41 31.800 31.800 32.096 -0.296 17719
5962 1 17 . 1 1 22 22 VAL H H 41 7.140 7.140 7.532 -0.392 17719
5963 1 17 . 1 1 23 23 ALA N N 42 126.600 126.600 123.729 2.871 17719
5964 1 17 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.595 -0.105 17719
5965 1 17 . 1 1 23 23 ALA C C 42 175.700 175.700 175.804 -0.104 17719
5966 1 17 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.157 0.243 17719
5967 1 17 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.713 -0.613 17719
5968 1 17 . 1 1 23 23 ALA H H 42 8.280 8.280 7.606 0.674 17719
5969 1 17 . 1 1 24 24 ILE N N 43 123.300 123.300 124.950 -1.650 17719
5970 1 17 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.225 -0.385 17719
5971 1 17 . 1 1 24 24 ILE C C 43 174.900 174.900 173.806 1.094 17719
5972 1 17 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.935 1.565 17719
5973 1 17 . 1 1 24 24 ILE CB C 43 39.000 39.000 39.649 -0.649 17719
5974 1 17 . 1 1 24 24 ILE H H 43 7.970 7.970 8.083 -0.113 17719
5975 1 17 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.255 0.225 17719
5976 1 17 . 1 1 25 25 PRO C C 44 175.900 175.900 175.449 0.451 17719
5977 1 17 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.453 -0.653 17719
5978 1 17 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.672 -1.272 17719
5979 1 17 . 1 1 26 26 CYS N N 45 120.500 120.500 121.963 -1.463 17719
5980 1 17 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.494 0.896 17719
5981 1 17 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.265 -6.365 17719
5982 1 17 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.361 7.039 17719
5983 1 17 . 1 1 26 26 CYS H H 45 8.290 8.290 8.132 0.158 17719
5984 1 17 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.578 0.072 17719
5985 1 17 . 1 1 27 27 PRO C C 46 177.000 177.000 176.699 0.301 17719
5986 1 17 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.769 -0.369 17719
5987 1 17 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.366 0.534 17719
5988 1 17 . 1 1 28 28 ILE N N 47 116.600 116.600 114.574 2.026 17719
5989 1 17 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.219 0.141 17719
5990 1 17 . 1 1 28 28 ILE C C 47 176.200 176.200 175.840 0.360 17719
5991 1 17 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.980 -0.680 17719
5992 1 17 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.779 0.221 17719
5993 1 17 . 1 1 28 28 ILE H H 47 8.590 8.590 8.180 0.410 17719
5994 1 17 . 1 1 29 29 THR N N 48 114.700 114.700 117.899 -3.199 17719
5995 1 17 . 1 1 29 29 THR HA H 48 3.890 3.890 4.318 -0.428 17719
5996 1 17 . 1 1 29 29 THR C C 48 173.200 173.200 173.132 0.068 17719
5997 1 17 . 1 1 29 29 THR CA C 48 62.600 62.600 62.075 0.525 17719
5998 1 17 . 1 1 29 29 THR CB C 48 70.000 70.000 69.387 0.613 17719
5999 1 17 . 1 1 29 29 THR H H 48 7.130 7.130 7.524 -0.394 17719
6000 1 17 . 1 1 30 30 TYR N N 49 129.100 129.100 128.366 0.734 17719
6001 1 17 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.589 0.371 17719
6002 1 17 . 1 1 30 30 TYR C C 49 173.900 173.900 174.665 -0.765 17719
6003 1 17 . 1 1 30 30 TYR CA C 49 57.600 57.600 58.434 -0.835 17719
6004 1 17 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.581 -1.581 17719
6005 1 17 . 1 1 30 30 TYR H H 49 9.020 9.020 8.680 0.340 17719
6006 1 17 . 1 1 31 31 LEU N N 50 131.700 131.700 129.804 1.896 17719
6007 1 17 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.865 -0.305 17719
6008 1 17 . 1 1 31 31 LEU C C 50 172.200 172.200 174.480 -2.280 17719
6009 1 17 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.545 1.055 17719
6010 1 17 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.599 -1.699 17719
6011 1 17 . 1 1 31 31 LEU H H 50 8.600 8.600 8.626 -0.026 17719
6012 1 17 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.645 -0.205 17719
6013 1 17 . 1 1 32 32 PRO C C 51 176.800 176.800 176.178 0.622 17719
6014 1 17 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.879 -0.179 17719
6015 1 17 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.273 1.627 17719
6016 1 17 . 1 1 33 33 VAL N N 52 110.700 110.700 118.373 -7.673 17719
6017 1 17 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.579 0.141 17719
6018 1 17 . 1 1 33 33 VAL C C 52 172.600 172.600 173.609 -1.009 17719
6019 1 17 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.320 0.280 17719
6020 1 17 . 1 1 33 33 VAL CB C 52 35.700 35.700 34.713 0.987 17719
6021 1 17 . 1 1 33 33 VAL H H 52 8.230 8.230 8.487 -0.257 17719
6022 1 17 . 1 1 34 34 CYS N N 53 122.200 122.200 122.201 -0.001 17719
6023 1 17 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.197 -0.107 17719
6024 1 17 . 1 1 34 34 CYS C C 53 175.600 175.600 174.677 0.923 17719
6025 1 17 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.290 -1.790 17719
6026 1 17 . 1 1 34 34 CYS CB C 53 39.300 39.300 29.101 10.199 17719
6027 1 17 . 1 1 34 34 CYS H H 53 8.550 8.550 8.515 0.035 17719
6028 1 17 . 1 1 35 35 GLY N N 54 115.900 115.900 113.318 2.582 17719
6029 1 17 . 1 1 35 35 GLY C C 54 174.500 174.500 175.230 -0.730 17719
6030 1 17 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.903 0.797 17719
6031 1 17 . 1 1 35 35 GLY H H 54 9.060 9.060 9.095 -0.035 17719
6032 1 17 . 1 1 36 36 SER N N 55 113.400 113.400 116.291 -2.891 17719
6033 1 17 . 1 1 36 36 SER HA H 55 3.760 3.760 3.925 -0.165 17719
6034 1 17 . 1 1 36 36 SER C C 55 173.300 173.300 174.239 -0.939 17719
6035 1 17 . 1 1 36 36 SER CA C 55 60.400 60.400 61.092 -0.692 17719
6036 1 17 . 1 1 36 36 SER CB C 55 62.300 62.300 63.159 -0.859 17719
6037 1 17 . 1 1 36 36 SER H H 55 9.270 9.270 8.704 0.566 17719
6038 1 17 . 1 1 37 37 ASP N N 56 121.100 121.100 118.797 2.303 17719
6039 1 17 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.584 -0.244 17719
6040 1 17 . 1 1 37 37 ASP C C 56 175.600 175.600 176.541 -0.941 17719
6041 1 17 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.846 -0.746 17719
6042 1 17 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.634 -1.034 17719
6043 1 17 . 1 1 37 37 ASP H H 56 9.150 9.150 8.115 1.035 17719
6044 1 17 . 1 1 38 38 TYR N N 57 116.100 116.100 114.069 2.031 17719
6045 1 17 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.142 -0.132 17719
6046 1 17 . 1 1 38 38 TYR C C 57 174.700 174.700 174.261 0.439 17719
6047 1 17 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.112 1.888 17719
6048 1 17 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.537 -1.237 17719
6049 1 17 . 1 1 38 38 TYR H H 57 8.630 8.630 7.687 0.943 17719
6050 1 17 . 1 1 39 39 ILE N N 58 120.700 120.700 121.095 -0.395 17719
6051 1 17 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.194 -0.184 17719
6052 1 17 . 1 1 39 39 ILE C C 58 174.900 174.900 175.554 -0.654 17719
6053 1 17 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.563 -0.263 17719
6054 1 17 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.513 -0.913 17719
6055 1 17 . 1 1 39 39 ILE H H 58 7.480 7.480 7.447 0.033 17719
6056 1 17 . 1 1 40 40 THR N N 59 123.700 123.700 123.411 0.289 17719
6057 1 17 . 1 1 40 40 THR HA H 59 4.670 4.670 4.651 0.019 17719
6058 1 17 . 1 1 40 40 THR C C 59 174.800 174.800 173.633 1.167 17719
6059 1 17 . 1 1 40 40 THR CA C 59 62.700 62.700 62.597 0.103 17719
6060 1 17 . 1 1 40 40 THR CB C 59 68.900 68.900 69.303 -0.403 17719
6061 1 17 . 1 1 40 40 THR H H 59 8.090 8.090 8.381 -0.291 17719
6062 1 17 . 1 1 41 41 TYR N N 60 129.700 129.700 126.277 3.423 17719
6063 1 17 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.663 -0.253 17719
6064 1 17 . 1 1 41 41 TYR C C 60 177.200 177.200 176.884 0.316 17719
6065 1 17 . 1 1 41 41 TYR CA C 60 58.200 58.200 56.991 1.209 17719
6066 1 17 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.894 0.906 17719
6067 1 17 . 1 1 41 41 TYR H H 60 9.550 9.550 9.149 0.401 17719
6068 1 17 . 1 1 42 42 GLY N N 61 107.800 107.800 108.414 -0.614 17719
6069 1 17 . 1 1 42 42 GLY C C 61 172.800 172.800 172.547 0.253 17719
6070 1 17 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.739 1.961 17719
6071 1 17 . 1 1 42 42 GLY H H 61 9.310 9.310 8.991 0.319 17719
6072 1 17 . 1 1 43 43 ASN N N 62 104.600 104.600 112.987 -8.387 17719
6073 1 17 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.015 -0.065 17719
6074 1 17 . 1 1 43 43 ASN C C 62 176.700 176.700 175.397 1.303 17719
6075 1 17 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.711 0.789 17719
6076 1 17 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.061 0.839 17719
6077 1 17 . 1 1 43 43 ASN H H 62 7.380 7.380 7.624 -0.244 17719
6078 1 17 . 1 1 44 44 GLU N N 63 118.300 118.300 120.419 -2.119 17719
6079 1 17 . 1 1 44 44 GLU HA H 63 3.890 3.890 3.898 -0.008 17719
6080 1 17 . 1 1 44 44 GLU C C 63 176.100 176.100 177.728 -1.628 17719
6081 1 17 . 1 1 44 44 GLU CA C 63 59.700 59.700 60.557 -0.857 17719
6082 1 17 . 1 1 44 44 GLU CB C 63 29.800 29.800 29.508 0.292 17719
6083 1 17 . 1 1 44 44 GLU H H 63 9.310 9.310 8.756 0.554 17719
6084 1 17 . 1 1 45 45 CYS N N 64 121.400 121.400 119.914 1.486 17719
6085 1 17 . 1 1 45 45 CYS HA H 64 3.370 3.370 2.748 0.622 17719
6086 1 17 . 1 1 45 45 CYS C C 64 177.700 177.700 176.550 1.150 17719
6087 1 17 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.987 -1.887 17719
6088 1 17 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.371 10.029 17719
6089 1 17 . 1 1 45 45 CYS H H 64 8.270 8.270 7.560 0.710 17719
6090 1 17 . 1 1 46 46 HIS N N 65 121.000 121.000 118.828 2.172 17719
6091 1 17 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.250 0.130 17719
6092 1 17 . 1 1 46 46 HIS C C 65 177.800 177.800 177.816 -0.016 17719
6093 1 17 . 1 1 46 46 HIS CA C 65 59.700 59.700 58.912 0.788 17719
6094 1 17 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.149 0.350 17719
6095 1 17 . 1 1 46 46 HIS H H 65 8.120 8.120 8.035 0.085 17719
6096 1 17 . 1 1 47 47 LEU N N 66 122.300 122.300 121.164 1.136 17719
6097 1 17 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.387 -0.537 17719
6098 1 17 . 1 1 47 47 LEU C C 66 178.300 178.300 178.390 -0.090 17719
6099 1 17 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.652 0.848 17719
6100 1 17 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.446 -0.846 17719
6101 1 17 . 1 1 47 47 LEU H H 66 7.630 7.630 8.132 -0.502 17719
6102 1 17 . 1 1 48 48 CYS N N 67 117.500 117.500 118.728 -1.228 17719
6103 1 17 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.961 0.479 17719
6104 1 17 . 1 1 48 48 CYS C C 67 176.700 176.700 176.884 -0.184 17719
6105 1 17 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.970 -5.770 17719
6106 1 17 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.255 9.845 17719
6107 1 17 . 1 1 48 48 CYS H H 67 8.960 8.960 8.290 0.670 17719
6108 1 17 . 1 1 49 49 THR N N 68 118.000 118.000 117.870 0.130 17719
6109 1 17 . 1 1 49 49 THR HA H 68 3.800 3.800 3.864 -0.064 17719
6110 1 17 . 1 1 49 49 THR C C 68 175.400 175.400 176.414 -1.014 17719
6111 1 17 . 1 1 49 49 THR CA C 68 67.600 67.600 67.453 0.147 17719
6112 1 17 . 1 1 49 49 THR CB C 68 68.800 68.800 68.418 0.382 17719
6113 1 17 . 1 1 49 49 THR H H 68 8.330 8.330 8.433 -0.103 17719
6114 1 17 . 1 1 50 50 GLU N N 69 121.300 121.300 121.029 0.271 17719
6115 1 17 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.065 0.195 17719
6116 1 17 . 1 1 50 50 GLU C C 69 180.000 180.000 178.551 1.449 17719
6117 1 17 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.767 -0.567 17719
6118 1 17 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.032 -0.432 17719
6119 1 17 . 1 1 50 50 GLU H H 69 7.070 7.070 7.759 -0.689 17719
6120 1 17 . 1 1 51 51 SER N N 70 117.100 117.100 116.364 0.736 17719
6121 1 17 . 1 1 51 51 SER HA H 70 4.030 4.030 4.368 -0.338 17719
6122 1 17 . 1 1 51 51 SER C C 70 177.800 177.800 176.499 1.301 17719
6123 1 17 . 1 1 51 51 SER CA C 70 62.400 62.400 61.712 0.688 17719
6124 1 17 . 1 1 51 51 SER CB C 70 64.900 64.900 62.884 2.016 17719
6125 1 17 . 1 1 51 51 SER H H 70 9.040 9.040 7.975 1.065 17719
6126 1 17 . 1 1 52 52 LEU N N 71 119.100 119.100 121.366 -2.266 17719
6127 1 17 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.063 0.137 17719
6128 1 17 . 1 1 52 52 LEU C C 71 181.400 181.400 178.932 2.468 17719
6129 1 17 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.515 0.385 17719
6130 1 17 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.853 -0.553 17719
6131 1 17 . 1 1 52 52 LEU H H 71 8.540 8.540 8.446 0.094 17719
6132 1 17 . 1 1 53 53 LYS N N 72 121.700 121.700 119.981 1.719 17719
6133 1 17 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.079 -0.039 17719
6134 1 17 . 1 1 53 53 LYS C C 72 177.600 177.600 178.555 -0.955 17719
6135 1 17 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.777 1.023 17719
6136 1 17 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.568 0.532 17719
6137 1 17 . 1 1 53 53 LYS H H 72 8.380 8.380 8.191 0.189 17719
6138 1 17 . 1 1 54 54 SER N N 73 111.300 111.300 112.382 -1.082 17719
6139 1 17 . 1 1 54 54 SER HA H 73 4.600 4.600 4.407 0.193 17719
6140 1 17 . 1 1 54 54 SER C C 73 175.300 175.300 174.265 1.035 17719
6141 1 17 . 1 1 54 54 SER CA C 73 58.300 58.300 59.480 -1.180 17719
6142 1 17 . 1 1 54 54 SER CB C 73 64.700 64.700 63.926 0.774 17719
6143 1 17 . 1 1 54 54 SER H H 73 8.150 8.150 8.241 -0.091 17719
6144 1 17 . 1 1 55 55 ASN N N 74 120.000 120.000 118.918 1.082 17719
6145 1 17 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.442 0.068 17719
6146 1 17 . 1 1 55 55 ASN C C 74 175.600 175.600 176.183 -0.583 17719
6147 1 17 . 1 1 55 55 ASN CA C 74 54.500 54.500 53.810 0.690 17719
6148 1 17 . 1 1 55 55 ASN CB C 74 37.100 37.100 37.352 -0.252 17719
6149 1 17 . 1 1 55 55 ASN H H 74 8.070 8.070 7.733 0.337 17719
6150 1 17 . 1 1 56 56 GLY N N 75 103.900 103.900 111.001 -7.101 17719
6151 1 17 . 1 1 56 56 GLY C C 75 174.700 174.700 174.690 0.010 17719
6152 1 17 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.461 -0.461 17719
6153 1 17 . 1 1 56 56 GLY H H 75 8.970 8.970 8.633 0.337 17719
6154 1 17 . 1 1 57 57 ARG N N 76 122.200 122.200 121.197 1.003 17719
6155 1 17 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.151 -0.111 17719
6156 1 17 . 1 1 57 57 ARG C C 76 177.200 177.200 175.821 1.379 17719
6157 1 17 . 1 1 57 57 ARG CA C 76 59.200 59.200 57.852 1.349 17719
6158 1 17 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.269 0.131 17719
6159 1 17 . 1 1 57 57 ARG H H 76 7.600 7.600 7.574 0.026 17719
6160 1 17 . 1 1 58 58 VAL N N 77 117.000 117.000 117.428 -0.428 17719
6161 1 17 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.178 -0.468 17719
6162 1 17 . 1 1 58 58 VAL C C 77 174.500 174.500 173.665 0.835 17719
6163 1 17 . 1 1 58 58 VAL CA C 77 63.200 63.200 61.067 2.133 17719
6164 1 17 . 1 1 58 58 VAL CB C 77 32.800 32.800 33.623 -0.823 17719
6165 1 17 . 1 1 58 58 VAL H H 77 7.340 7.340 7.917 -0.577 17719
6166 1 17 . 1 1 59 59 GLN N N 78 125.000 125.000 126.623 -1.623 17719
6167 1 17 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.698 -0.218 17719
6168 1 17 . 1 1 59 59 GLN C C 78 174.900 174.900 174.274 0.626 17719
6169 1 17 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.945 -0.145 17719
6170 1 17 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.928 -0.328 17719
6171 1 17 . 1 1 59 59 GLN H H 78 8.510 8.510 8.293 0.217 17719
6172 1 17 . 1 1 60 60 PHE N N 79 121.400 121.400 121.386 0.014 17719
6173 1 17 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.354 -0.404 17719
6174 1 17 . 1 1 60 60 PHE C C 79 173.900 173.900 175.150 -1.250 17719
6175 1 17 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.812 0.488 17719
6176 1 17 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.136 0.764 17719
6177 1 17 . 1 1 60 60 PHE H H 79 9.050 9.050 8.766 0.284 17719
6178 1 17 . 1 1 61 61 LEU N N 80 128.900 128.900 128.675 0.225 17719
6179 1 17 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.247 0.273 17719
6180 1 17 . 1 1 61 61 LEU C C 80 175.700 175.700 175.276 0.424 17719
6181 1 17 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.642 0.358 17719
6182 1 17 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.512 0.888 17719
6183 1 17 . 1 1 61 61 LEU H H 80 8.270 8.270 8.388 -0.118 17719
6184 1 17 . 1 1 62 62 HIS N N 81 107.500 107.500 109.182 -1.682 17719
6185 1 17 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.502 -0.132 17719
6186 1 17 . 1 1 62 62 HIS C C 81 172.000 172.000 172.312 -0.312 17719
6187 1 17 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.923 1.177 17719
6188 1 17 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.263 -1.563 17719
6189 1 17 . 1 1 62 62 HIS H H 81 6.860 6.860 6.945 -0.085 17719
6190 1 17 . 1 1 63 63 ASP N N 82 120.900 120.900 118.364 2.536 17719
6191 1 17 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.301 0.599 17719
6192 1 17 . 1 1 63 63 ASP C C 82 178.500 178.500 176.901 1.599 17719
6193 1 17 . 1 1 63 63 ASP CA C 82 55.600 55.600 53.823 1.777 17719
6194 1 17 . 1 1 63 63 ASP CB C 82 42.400 42.400 42.190 0.210 17719
6195 1 17 . 1 1 63 63 ASP H H 82 9.330 9.330 8.486 0.844 17719
6196 1 17 . 1 1 64 64 GLY N N 83 114.500 114.500 109.235 5.265 17719
6197 1 17 . 1 1 64 64 GLY C C 83 170.400 170.400 173.826 -3.426 17719
6198 1 17 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.520 0.380 17719
6199 1 17 . 1 1 64 64 GLY H H 83 8.330 8.330 8.576 -0.246 17719
6200 1 17 . 1 1 65 65 SER N N 84 107.400 107.400 116.512 -9.112 17719
6201 1 17 . 1 1 65 65 SER HA H 84 4.140 4.140 4.365 -0.225 17719
6202 1 17 . 1 1 65 65 SER C C 84 176.400 176.400 175.245 1.155 17719
6203 1 17 . 1 1 65 65 SER CA C 84 58.300 58.300 58.907 -0.607 17719
6204 1 17 . 1 1 65 65 SER CB C 84 63.900 63.900 63.942 -0.042 17719
6205 1 17 . 1 1 65 65 SER H H 84 7.870 7.870 8.158 -0.288 17719
6206 1 18 . 1 1 2 2 GLU N N 21 121.800 121.800 122.290 -0.490 17719
6207 1 18 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.516 -0.126 17719
6208 1 18 . 1 1 2 2 GLU C C 21 176.100 176.100 176.624 -0.524 17719
6209 1 18 . 1 1 2 2 GLU CA C 21 56.200 56.200 55.932 0.268 17719
6210 1 18 . 1 1 2 2 GLU CB C 21 30.300 30.300 30.543 -0.243 17719
6211 1 18 . 1 1 2 2 GLU H H 21 8.860 8.860 8.642 0.218 17719
6212 1 18 . 1 1 3 3 ALA N N 22 126.000 126.000 128.215 -2.215 17719
6213 1 18 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.168 0.102 17719
6214 1 18 . 1 1 3 3 ALA C C 22 177.700 177.700 177.494 0.206 17719
6215 1 18 . 1 1 3 3 ALA CA C 22 52.600 52.600 53.489 -0.889 17719
6216 1 18 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.275 -0.175 17719
6217 1 18 . 1 1 3 3 ALA H H 22 8.550 8.550 8.581 -0.031 17719
6218 1 18 . 1 1 4 4 ALA N N 23 123.600 123.600 119.410 4.190 17719
6219 1 18 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.616 -0.306 17719
6220 1 18 . 1 1 4 4 ALA C C 23 177.900 177.900 176.045 1.855 17719
6221 1 18 . 1 1 4 4 ALA CA C 23 52.600 52.600 51.984 0.616 17719
6222 1 18 . 1 1 4 4 ALA CB C 23 19.100 19.100 20.630 -1.530 17719
6223 1 18 . 1 1 4 4 ALA H H 23 8.400 8.400 7.795 0.605 17719
6224 1 18 . 1 1 5 5 SER N N 24 115.100 115.100 115.984 -0.884 17719
6225 1 18 . 1 1 5 5 SER HA H 24 4.440 4.440 4.645 -0.205 17719
6226 1 18 . 1 1 5 5 SER C C 24 174.500 174.500 174.533 -0.033 17719
6227 1 18 . 1 1 5 5 SER CA C 24 58.200 58.200 57.344 0.856 17719
6228 1 18 . 1 1 5 5 SER CB C 24 63.800 63.800 64.421 -0.621 17719
6229 1 18 . 1 1 5 5 SER H H 24 8.300 8.300 8.319 -0.019 17719
6230 1 18 . 1 1 6 6 LEU N N 25 124.200 124.200 128.246 -4.046 17719
6231 1 18 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.459 -0.029 17719
6232 1 18 . 1 1 6 6 LEU C C 25 177.300 177.300 176.346 0.954 17719
6233 1 18 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.480 -0.380 17719
6234 1 18 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.622 0.778 17719
6235 1 18 . 1 1 6 6 LEU H H 25 8.320 8.320 8.760 -0.440 17719
6236 1 18 . 1 1 7 7 SER N N 26 118.100 118.100 120.529 -2.429 17719
6237 1 18 . 1 1 7 7 SER HA H 26 4.780 4.780 4.779 0.001 17719
6238 1 18 . 1 1 7 7 SER C C 26 172.500 172.500 172.701 -0.201 17719
6239 1 18 . 1 1 7 7 SER CA C 26 56.400 56.400 55.892 0.509 17719
6240 1 18 . 1 1 7 7 SER CB C 26 63.300 63.300 63.987 -0.687 17719
6241 1 18 . 1 1 7 7 SER H H 26 8.330 8.330 8.249 0.080 17719
6242 1 18 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.544 -0.074 17719
6243 1 18 . 1 1 8 8 PRO C C 27 176.600 176.600 176.078 0.522 17719
6244 1 18 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.743 0.257 17719
6245 1 18 . 1 1 8 8 PRO CB C 27 32.400 32.400 32.479 -0.079 17719
6246 1 18 . 1 1 9 9 LYS N N 28 122.600 122.600 120.988 1.612 17719
6247 1 18 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.297 -0.077 17719
6248 1 18 . 1 1 9 9 LYS C C 28 175.600 175.600 176.208 -0.608 17719
6249 1 18 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.243 0.257 17719
6250 1 18 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.201 -0.101 17719
6251 1 18 . 1 1 9 9 LYS H H 28 8.410 8.410 8.487 -0.077 17719
6252 1 18 . 1 1 10 10 LYS N N 29 123.700 123.700 121.458 2.242 17719
6253 1 18 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.477 -0.157 17719
6254 1 18 . 1 1 10 10 LYS C C 29 175.800 175.800 175.165 0.635 17719
6255 1 18 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.947 0.353 17719
6256 1 18 . 1 1 10 10 LYS CB C 29 33.900 33.900 33.948 -0.048 17719
6257 1 18 . 1 1 10 10 LYS H H 29 8.290 8.290 8.221 0.069 17719
6258 1 18 . 1 1 11 11 VAL N N 30 122.800 122.800 120.232 2.568 17719
6259 1 18 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.940 -0.110 17719
6260 1 18 . 1 1 11 11 VAL C C 30 174.400 174.400 175.172 -0.772 17719
6261 1 18 . 1 1 11 11 VAL CA C 30 62.200 62.200 60.048 2.152 17719
6262 1 18 . 1 1 11 11 VAL CB C 30 33.400 33.400 33.777 -0.377 17719
6263 1 18 . 1 1 11 11 VAL H H 30 8.010 8.010 7.957 0.053 17719
6264 1 18 . 1 1 12 12 ASP N N 31 126.200 126.200 123.732 2.468 17719
6265 1 18 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.549 0.271 17719
6266 1 18 . 1 1 12 12 ASP C C 31 176.800 176.800 175.565 1.235 17719
6267 1 18 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.709 -2.509 17719
6268 1 18 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.438 0.562 17719
6269 1 18 . 1 1 12 12 ASP H H 31 8.580 8.580 8.407 0.173 17719
6270 1 18 . 1 1 13 13 CYS N N 32 121.600 121.600 124.523 -2.923 17719
6271 1 18 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.810 0.240 17719
6272 1 18 . 1 1 13 13 CYS C C 32 176.800 176.800 175.769 1.031 17719
6273 1 18 . 1 1 13 13 CYS CA C 32 53.400 53.400 57.866 -4.466 17719
6274 1 18 . 1 1 13 13 CYS CB C 32 33.400 33.400 28.421 4.979 17719
6275 1 18 . 1 1 13 13 CYS H H 32 9.070 9.070 8.488 0.582 17719
6276 1 18 . 1 1 14 14 SER N N 33 118.000 118.000 118.680 -0.680 17719
6277 1 18 . 1 1 14 14 SER HA H 33 4.030 4.030 4.140 -0.110 17719
6278 1 18 . 1 1 14 14 SER C C 33 177.100 177.100 176.411 0.689 17719
6279 1 18 . 1 1 14 14 SER CA C 33 62.400 62.400 62.023 0.378 17719
6280 1 18 . 1 1 14 14 SER CB C 33 62.600 62.600 62.705 -0.105 17719
6281 1 18 . 1 1 14 14 SER H H 33 8.760 8.760 8.243 0.517 17719
6282 1 18 . 1 1 15 15 ILE N N 34 117.700 117.700 115.835 1.865 17719
6283 1 18 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.712 0.278 17719
6284 1 18 . 1 1 15 15 ILE C C 34 176.600 176.600 176.262 0.338 17719
6285 1 18 . 1 1 15 15 ILE CA C 34 63.500 63.500 64.001 -0.501 17719
6286 1 18 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.481 -0.081 17719
6287 1 18 . 1 1 15 15 ILE H H 34 7.200 7.200 8.641 -1.441 17719
6288 1 18 . 1 1 16 16 TYR N N 35 118.000 118.000 117.917 0.083 17719
6289 1 18 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.651 -0.041 17719
6290 1 18 . 1 1 16 16 TYR C C 35 176.300 176.300 178.197 -1.897 17719
6291 1 18 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.616 -0.816 17719
6292 1 18 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.615 -1.015 17719
6293 1 18 . 1 1 16 16 TYR H H 35 7.470 7.470 7.450 0.020 17719
6294 1 18 . 1 1 17 17 LYS N N 36 119.200 119.200 119.344 -0.144 17719
6295 1 18 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.156 0.074 17719
6296 1 18 . 1 1 17 17 LYS C C 36 176.300 176.300 177.219 -0.919 17719
6297 1 18 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.543 0.157 17719
6298 1 18 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.926 0.374 17719
6299 1 18 . 1 1 17 17 LYS H H 36 7.590 7.590 7.826 -0.236 17719
6300 1 18 . 1 1 18 18 LYS N N 37 115.100 115.100 115.971 -0.871 17719
6301 1 18 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.036 0.114 17719
6302 1 18 . 1 1 18 18 LYS C C 37 175.500 175.500 176.408 -0.908 17719
6303 1 18 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.984 -0.284 17719
6304 1 18 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.111 -0.411 17719
6305 1 18 . 1 1 18 18 LYS H H 37 7.410 7.410 7.710 -0.300 17719
6306 1 18 . 1 1 19 19 TYR N N 38 120.200 120.200 119.191 1.009 17719
6307 1 18 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.785 0.025 17719
6308 1 18 . 1 1 19 19 TYR C C 38 173.600 173.600 173.539 0.061 17719
6309 1 18 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.708 1.792 17719
6310 1 18 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.345 -0.145 17719
6311 1 18 . 1 1 19 19 TYR H H 38 7.390 7.390 7.563 -0.173 17719
6312 1 18 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.465 0.115 17719
6313 1 18 . 1 1 20 20 PRO C C 39 179.000 179.000 177.903 1.097 17719
6314 1 18 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.810 0.290 17719
6315 1 18 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.796 -1.096 17719
6316 1 18 . 1 1 21 21 VAL N N 40 123.200 123.200 121.276 1.924 17719
6317 1 18 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.747 0.273 17719
6318 1 18 . 1 1 21 21 VAL C C 40 176.400 176.400 177.172 -0.772 17719
6319 1 18 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.249 -0.549 17719
6320 1 18 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.306 0.694 17719
6321 1 18 . 1 1 21 21 VAL H H 40 8.400 8.400 8.528 -0.128 17719
6322 1 18 . 1 1 22 22 VAL N N 41 110.600 110.600 112.069 -1.469 17719
6323 1 18 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.135 0.075 17719
6324 1 18 . 1 1 22 22 VAL C C 41 175.600 175.600 175.689 -0.089 17719
6325 1 18 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.914 -1.414 17719
6326 1 18 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.666 0.134 17719
6327 1 18 . 1 1 22 22 VAL H H 41 7.140 7.140 7.666 -0.526 17719
6328 1 18 . 1 1 23 23 ALA N N 42 126.600 126.600 124.212 2.388 17719
6329 1 18 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.615 -0.125 17719
6330 1 18 . 1 1 23 23 ALA C C 42 175.700 175.700 175.878 -0.178 17719
6331 1 18 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.199 0.201 17719
6332 1 18 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.477 -0.377 17719
6333 1 18 . 1 1 23 23 ALA H H 42 8.280 8.280 7.586 0.694 17719
6334 1 18 . 1 1 24 24 ILE N N 43 123.300 123.300 124.312 -1.012 17719
6335 1 18 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.348 -0.508 17719
6336 1 18 . 1 1 24 24 ILE C C 43 174.900 174.900 173.731 1.169 17719
6337 1 18 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.846 1.654 17719
6338 1 18 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.466 -1.466 17719
6339 1 18 . 1 1 24 24 ILE H H 43 7.970 7.970 8.009 -0.039 17719
6340 1 18 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.405 0.075 17719
6341 1 18 . 1 1 25 25 PRO C C 44 175.900 175.900 175.770 0.130 17719
6342 1 18 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.442 -0.642 17719
6343 1 18 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.630 -1.230 17719
6344 1 18 . 1 1 26 26 CYS N N 45 120.500 120.500 122.309 -1.809 17719
6345 1 18 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.726 0.664 17719
6346 1 18 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.657 -6.757 17719
6347 1 18 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.293 7.107 17719
6348 1 18 . 1 1 26 26 CYS H H 45 8.290 8.290 8.475 -0.185 17719
6349 1 18 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.662 -0.012 17719
6350 1 18 . 1 1 27 27 PRO C C 46 177.000 177.000 176.811 0.189 17719
6351 1 18 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.643 -0.243 17719
6352 1 18 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.494 0.406 17719
6353 1 18 . 1 1 28 28 ILE N N 47 116.600 116.600 113.161 3.439 17719
6354 1 18 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.303 0.057 17719
6355 1 18 . 1 1 28 28 ILE C C 47 176.200 176.200 175.475 0.725 17719
6356 1 18 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.207 0.093 17719
6357 1 18 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.759 0.241 17719
6358 1 18 . 1 1 28 28 ILE H H 47 8.590 8.590 8.162 0.428 17719
6359 1 18 . 1 1 29 29 THR N N 48 114.700 114.700 118.026 -3.326 17719
6360 1 18 . 1 1 29 29 THR HA H 48 3.890 3.890 4.319 -0.429 17719
6361 1 18 . 1 1 29 29 THR C C 48 173.200 173.200 173.468 -0.268 17719
6362 1 18 . 1 1 29 29 THR CA C 48 62.600 62.600 62.830 -0.230 17719
6363 1 18 . 1 1 29 29 THR CB C 48 70.000 70.000 69.106 0.894 17719
6364 1 18 . 1 1 29 29 THR H H 48 7.130 7.130 7.585 -0.455 17719
6365 1 18 . 1 1 30 30 TYR N N 49 129.100 129.100 128.644 0.456 17719
6366 1 18 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.981 -0.021 17719
6367 1 18 . 1 1 30 30 TYR C C 49 173.900 173.900 174.722 -0.822 17719
6368 1 18 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.251 0.349 17719
6369 1 18 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.088 -1.088 17719
6370 1 18 . 1 1 30 30 TYR H H 49 9.020 9.020 8.622 0.398 17719
6371 1 18 . 1 1 31 31 LEU N N 50 131.700 131.700 130.375 1.325 17719
6372 1 18 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.801 -0.241 17719
6373 1 18 . 1 1 31 31 LEU C C 50 172.200 172.200 174.578 -2.378 17719
6374 1 18 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.277 1.323 17719
6375 1 18 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.441 -0.541 17719
6376 1 18 . 1 1 31 31 LEU H H 50 8.600 8.600 8.415 0.185 17719
6377 1 18 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.583 -0.143 17719
6378 1 18 . 1 1 32 32 PRO C C 51 176.800 176.800 176.714 0.086 17719
6379 1 18 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.598 0.102 17719
6380 1 18 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.221 1.679 17719
6381 1 18 . 1 1 33 33 VAL N N 52 110.700 110.700 117.433 -6.733 17719
6382 1 18 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.640 0.080 17719
6383 1 18 . 1 1 33 33 VAL C C 52 172.600 172.600 173.569 -0.969 17719
6384 1 18 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.531 0.069 17719
6385 1 18 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.656 0.044 17719
6386 1 18 . 1 1 33 33 VAL H H 52 8.230 8.230 8.461 -0.231 17719
6387 1 18 . 1 1 34 34 CYS N N 53 122.200 122.200 121.986 0.214 17719
6388 1 18 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.321 -0.231 17719
6389 1 18 . 1 1 34 34 CYS C C 53 175.600 175.600 174.858 0.742 17719
6390 1 18 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.252 -1.752 17719
6391 1 18 . 1 1 34 34 CYS CB C 53 39.300 39.300 29.008 10.292 17719
6392 1 18 . 1 1 34 34 CYS H H 53 8.550 8.550 8.620 -0.070 17719
6393 1 18 . 1 1 35 35 GLY N N 54 115.900 115.900 113.293 2.607 17719
6394 1 18 . 1 1 35 35 GLY C C 54 174.500 174.500 175.226 -0.726 17719
6395 1 18 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.842 0.858 17719
6396 1 18 . 1 1 35 35 GLY H H 54 9.060 9.060 9.174 -0.114 17719
6397 1 18 . 1 1 36 36 SER N N 55 113.400 113.400 117.060 -3.660 17719
6398 1 18 . 1 1 36 36 SER HA H 55 3.760 3.760 3.947 -0.187 17719
6399 1 18 . 1 1 36 36 SER C C 55 173.300 173.300 174.488 -1.188 17719
6400 1 18 . 1 1 36 36 SER CA C 55 60.400 60.400 61.373 -0.973 17719
6401 1 18 . 1 1 36 36 SER CB C 55 62.300 62.300 62.961 -0.661 17719
6402 1 18 . 1 1 36 36 SER H H 55 9.270 9.270 8.527 0.743 17719
6403 1 18 . 1 1 37 37 ASP N N 56 121.100 121.100 118.497 2.603 17719
6404 1 18 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.536 -0.196 17719
6405 1 18 . 1 1 37 37 ASP C C 56 175.600 175.600 175.367 0.233 17719
6406 1 18 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.454 -0.354 17719
6407 1 18 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.719 -1.119 17719
6408 1 18 . 1 1 37 37 ASP H H 56 9.150 9.150 7.896 1.254 17719
6409 1 18 . 1 1 38 38 TYR N N 57 116.100 116.100 112.437 3.663 17719
6410 1 18 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.105 -0.095 17719
6411 1 18 . 1 1 38 38 TYR C C 57 174.700 174.700 174.345 0.355 17719
6412 1 18 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.338 1.662 17719
6413 1 18 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.258 -0.958 17719
6414 1 18 . 1 1 38 38 TYR H H 57 8.630 8.630 7.597 1.033 17719
6415 1 18 . 1 1 39 39 ILE N N 58 120.700 120.700 121.447 -0.747 17719
6416 1 18 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.239 -0.229 17719
6417 1 18 . 1 1 39 39 ILE C C 58 174.900 174.900 175.491 -0.591 17719
6418 1 18 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.096 0.204 17719
6419 1 18 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.916 -1.315 17719
6420 1 18 . 1 1 39 39 ILE H H 58 7.480 7.480 7.376 0.104 17719
6421 1 18 . 1 1 40 40 THR N N 59 123.700 123.700 123.264 0.436 17719
6422 1 18 . 1 1 40 40 THR HA H 59 4.670 4.670 4.753 -0.083 17719
6423 1 18 . 1 1 40 40 THR C C 59 174.800 174.800 173.694 1.106 17719
6424 1 18 . 1 1 40 40 THR CA C 59 62.700 62.700 62.545 0.155 17719
6425 1 18 . 1 1 40 40 THR CB C 59 68.900 68.900 69.430 -0.530 17719
6426 1 18 . 1 1 40 40 THR H H 59 8.090 8.090 8.393 -0.303 17719
6427 1 18 . 1 1 41 41 TYR N N 60 129.700 129.700 125.753 3.947 17719
6428 1 18 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.671 -0.261 17719
6429 1 18 . 1 1 41 41 TYR C C 60 177.200 177.200 176.794 0.406 17719
6430 1 18 . 1 1 41 41 TYR CA C 60 58.200 58.200 56.980 1.220 17719
6431 1 18 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.979 0.821 17719
6432 1 18 . 1 1 41 41 TYR H H 60 9.550 9.550 9.203 0.347 17719
6433 1 18 . 1 1 42 42 GLY N N 61 107.800 107.800 108.301 -0.501 17719
6434 1 18 . 1 1 42 42 GLY C C 61 172.800 172.800 172.560 0.240 17719
6435 1 18 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.473 2.227 17719
6436 1 18 . 1 1 42 42 GLY H H 61 9.310 9.310 9.010 0.300 17719
6437 1 18 . 1 1 43 43 ASN N N 62 104.600 104.600 112.744 -8.144 17719
6438 1 18 . 1 1 43 43 ASN HA H 62 4.950 4.950 4.992 -0.042 17719
6439 1 18 . 1 1 43 43 ASN C C 62 176.700 176.700 175.063 1.637 17719
6440 1 18 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.881 0.619 17719
6441 1 18 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.743 0.157 17719
6442 1 18 . 1 1 43 43 ASN H H 62 7.380 7.380 7.683 -0.303 17719
6443 1 18 . 1 1 44 44 GLU N N 63 118.300 118.300 119.350 -1.050 17719
6444 1 18 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.131 -0.241 17719
6445 1 18 . 1 1 44 44 GLU C C 63 176.100 176.100 177.493 -1.393 17719
6446 1 18 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.273 0.428 17719
6447 1 18 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.721 1.079 17719
6448 1 18 . 1 1 44 44 GLU H H 63 9.310 9.310 8.783 0.527 17719
6449 1 18 . 1 1 45 45 CYS N N 64 121.400 121.400 121.460 -0.060 17719
6450 1 18 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.073 0.297 17719
6451 1 18 . 1 1 45 45 CYS C C 64 177.700 177.700 176.150 1.550 17719
6452 1 18 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.990 -1.890 17719
6453 1 18 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.291 10.110 17719
6454 1 18 . 1 1 45 45 CYS H H 64 8.270 8.270 8.281 -0.011 17719
6455 1 18 . 1 1 46 46 HIS N N 65 121.000 121.000 118.517 2.483 17719
6456 1 18 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.269 0.111 17719
6457 1 18 . 1 1 46 46 HIS C C 65 177.800 177.800 177.823 -0.023 17719
6458 1 18 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.118 0.582 17719
6459 1 18 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.257 0.243 17719
6460 1 18 . 1 1 46 46 HIS H H 65 8.120 8.120 8.597 -0.477 17719
6461 1 18 . 1 1 47 47 LEU N N 66 122.300 122.300 121.061 1.239 17719
6462 1 18 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.203 -0.353 17719
6463 1 18 . 1 1 47 47 LEU C C 66 178.300 178.300 178.333 -0.033 17719
6464 1 18 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.530 0.970 17719
6465 1 18 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.335 -0.735 17719
6466 1 18 . 1 1 47 47 LEU H H 66 7.630 7.630 7.744 -0.114 17719
6467 1 18 . 1 1 48 48 CYS N N 67 117.500 117.500 118.818 -1.318 17719
6468 1 18 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.951 0.489 17719
6469 1 18 . 1 1 48 48 CYS C C 67 176.700 176.700 176.979 -0.279 17719
6470 1 18 . 1 1 48 48 CYS CA C 67 56.200 56.200 61.974 -5.774 17719
6471 1 18 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.224 9.876 17719
6472 1 18 . 1 1 48 48 CYS H H 67 8.960 8.960 8.378 0.582 17719
6473 1 18 . 1 1 49 49 THR N N 68 118.000 118.000 117.615 0.385 17719
6474 1 18 . 1 1 49 49 THR HA H 68 3.800 3.800 3.846 -0.046 17719
6475 1 18 . 1 1 49 49 THR C C 68 175.400 175.400 176.530 -1.130 17719
6476 1 18 . 1 1 49 49 THR CA C 68 67.600 67.600 67.260 0.340 17719
6477 1 18 . 1 1 49 49 THR CB C 68 68.800 68.800 68.406 0.394 17719
6478 1 18 . 1 1 49 49 THR H H 68 8.330 8.330 8.448 -0.118 17719
6479 1 18 . 1 1 50 50 GLU N N 69 121.300 121.300 121.208 0.092 17719
6480 1 18 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.062 0.198 17719
6481 1 18 . 1 1 50 50 GLU C C 69 180.000 180.000 178.700 1.300 17719
6482 1 18 . 1 1 50 50 GLU CA C 69 58.200 58.200 59.054 -0.854 17719
6483 1 18 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.180 -0.580 17719
6484 1 18 . 1 1 50 50 GLU H H 69 7.070 7.070 7.873 -0.803 17719
6485 1 18 . 1 1 51 51 SER N N 70 117.100 117.100 116.307 0.793 17719
6486 1 18 . 1 1 51 51 SER HA H 70 4.030 4.030 4.359 -0.329 17719
6487 1 18 . 1 1 51 51 SER C C 70 177.800 177.800 176.581 1.219 17719
6488 1 18 . 1 1 51 51 SER CA C 70 62.400 62.400 61.756 0.644 17719
6489 1 18 . 1 1 51 51 SER CB C 70 64.900 64.900 62.893 2.007 17719
6490 1 18 . 1 1 51 51 SER H H 70 9.040 9.040 8.065 0.975 17719
6491 1 18 . 1 1 52 52 LEU N N 71 119.100 119.100 121.455 -2.355 17719
6492 1 18 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.041 0.159 17719
6493 1 18 . 1 1 52 52 LEU C C 71 181.400 181.400 179.491 1.909 17719
6494 1 18 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.723 0.177 17719
6495 1 18 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.588 -0.288 17719
6496 1 18 . 1 1 52 52 LEU H H 71 8.540 8.540 8.439 0.101 17719
6497 1 18 . 1 1 53 53 LYS N N 72 121.700 121.700 121.282 0.418 17719
6498 1 18 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.021 0.019 17719
6499 1 18 . 1 1 53 53 LYS C C 72 177.600 177.600 178.073 -0.473 17719
6500 1 18 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.231 0.569 17719
6501 1 18 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.583 0.517 17719
6502 1 18 . 1 1 53 53 LYS H H 72 8.380 8.380 8.497 -0.117 17719
6503 1 18 . 1 1 54 54 SER N N 73 111.300 111.300 111.600 -0.300 17719
6504 1 18 . 1 1 54 54 SER HA H 73 4.600 4.600 4.571 0.029 17719
6505 1 18 . 1 1 54 54 SER C C 73 175.300 175.300 173.383 1.917 17719
6506 1 18 . 1 1 54 54 SER CA C 73 58.300 58.300 58.199 0.101 17719
6507 1 18 . 1 1 54 54 SER CB C 73 64.700 64.700 63.570 1.130 17719
6508 1 18 . 1 1 54 54 SER H H 73 8.150 8.150 7.999 0.151 17719
6509 1 18 . 1 1 55 55 ASN N N 74 120.000 120.000 120.510 -0.510 17719
6510 1 18 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.391 0.119 17719
6511 1 18 . 1 1 55 55 ASN C C 74 175.600 175.600 175.704 -0.104 17719
6512 1 18 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.013 0.487 17719
6513 1 18 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.667 0.433 17719
6514 1 18 . 1 1 55 55 ASN H H 74 8.070 8.070 7.684 0.386 17719
6515 1 18 . 1 1 56 56 GLY N N 75 103.900 103.900 108.426 -4.526 17719
6516 1 18 . 1 1 56 56 GLY C C 75 174.700 174.700 173.896 0.804 17719
6517 1 18 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.673 -0.673 17719
6518 1 18 . 1 1 56 56 GLY H H 75 8.970 8.970 8.760 0.210 17719
6519 1 18 . 1 1 57 57 ARG N N 76 122.200 122.200 120.188 2.012 17719
6520 1 18 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.088 -0.048 17719
6521 1 18 . 1 1 57 57 ARG C C 76 177.200 177.200 176.017 1.183 17719
6522 1 18 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.552 0.648 17719
6523 1 18 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.729 -0.329 17719
6524 1 18 . 1 1 57 57 ARG H H 76 7.600 7.600 7.553 0.047 17719
6525 1 18 . 1 1 58 58 VAL N N 77 117.000 117.000 117.965 -0.965 17719
6526 1 18 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.236 -0.526 17719
6527 1 18 . 1 1 58 58 VAL C C 77 174.500 174.500 173.890 0.610 17719
6528 1 18 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.558 2.642 17719
6529 1 18 . 1 1 58 58 VAL CB C 77 32.800 32.800 33.473 -0.673 17719
6530 1 18 . 1 1 58 58 VAL H H 77 7.340 7.340 7.915 -0.575 17719
6531 1 18 . 1 1 59 59 GLN N N 78 125.000 125.000 127.079 -2.079 17719
6532 1 18 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.703 -0.223 17719
6533 1 18 . 1 1 59 59 GLN C C 78 174.900 174.900 174.524 0.376 17719
6534 1 18 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.973 -0.173 17719
6535 1 18 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.695 -0.095 17719
6536 1 18 . 1 1 59 59 GLN H H 78 8.510 8.510 8.286 0.224 17719
6537 1 18 . 1 1 60 60 PHE N N 79 121.400 121.400 120.870 0.530 17719
6538 1 18 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.347 -0.397 17719
6539 1 18 . 1 1 60 60 PHE C C 79 173.900 173.900 174.816 -0.916 17719
6540 1 18 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.885 0.415 17719
6541 1 18 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.218 0.682 17719
6542 1 18 . 1 1 60 60 PHE H H 79 9.050 9.050 8.676 0.374 17719
6543 1 18 . 1 1 61 61 LEU N N 80 128.900 128.900 127.657 1.243 17719
6544 1 18 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.284 0.236 17719
6545 1 18 . 1 1 61 61 LEU C C 80 175.700 175.700 174.781 0.919 17719
6546 1 18 . 1 1 61 61 LEU CA C 80 56.000 56.000 54.892 1.107 17719
6547 1 18 . 1 1 61 61 LEU CB C 80 44.400 44.400 44.004 0.396 17719
6548 1 18 . 1 1 61 61 LEU H H 80 8.270 8.270 8.696 -0.426 17719
6549 1 18 . 1 1 62 62 HIS N N 81 107.500 107.500 110.012 -2.512 17719
6550 1 18 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.399 -0.029 17719
6551 1 18 . 1 1 62 62 HIS C C 81 172.000 172.000 172.224 -0.224 17719
6552 1 18 . 1 1 62 62 HIS CA C 81 55.100 55.100 54.157 0.943 17719
6553 1 18 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.600 -1.900 17719
6554 1 18 . 1 1 62 62 HIS H H 81 6.860 6.860 7.034 -0.174 17719
6555 1 18 . 1 1 63 63 ASP N N 82 120.900 120.900 118.616 2.284 17719
6556 1 18 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.320 0.580 17719
6557 1 18 . 1 1 63 63 ASP C C 82 178.500 178.500 176.576 1.924 17719
6558 1 18 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.120 1.480 17719
6559 1 18 . 1 1 63 63 ASP CB C 82 42.400 42.400 42.410 -0.010 17719
6560 1 18 . 1 1 63 63 ASP H H 82 9.330 9.330 8.445 0.885 17719
6561 1 18 . 1 1 64 64 GLY N N 83 114.500 114.500 109.193 5.307 17719
6562 1 18 . 1 1 64 64 GLY C C 83 170.400 170.400 173.761 -3.361 17719
6563 1 18 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.455 0.446 17719
6564 1 18 . 1 1 64 64 GLY H H 83 8.330 8.330 8.546 -0.216 17719
6565 1 18 . 1 1 65 65 SER N N 84 107.400 107.400 116.227 -8.827 17719
6566 1 18 . 1 1 65 65 SER HA H 84 4.140 4.140 4.454 -0.314 17719
6567 1 18 . 1 1 65 65 SER C C 84 176.400 176.400 175.175 1.225 17719
6568 1 18 . 1 1 65 65 SER CA C 84 58.300 58.300 58.980 -0.680 17719
6569 1 18 . 1 1 65 65 SER CB C 84 63.900 63.900 63.803 0.097 17719
6570 1 18 . 1 1 65 65 SER H H 84 7.870 7.870 8.272 -0.402 17719
6571 1 19 . 1 1 2 2 GLU N N 21 121.800 121.800 121.367 0.433 17719
6572 1 19 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.865 -0.475 17719
6573 1 19 . 1 1 2 2 GLU C C 21 176.100 176.100 175.355 0.745 17719
6574 1 19 . 1 1 2 2 GLU CA C 21 56.200 56.200 55.511 0.689 17719
6575 1 19 . 1 1 2 2 GLU CB C 21 30.300 30.300 31.345 -1.045 17719
6576 1 19 . 1 1 2 2 GLU H H 21 8.860 8.860 8.236 0.624 17719
6577 1 19 . 1 1 3 3 ALA N N 22 126.000 126.000 124.249 1.751 17719
6578 1 19 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.793 -0.523 17719
6579 1 19 . 1 1 3 3 ALA C C 22 177.700 177.700 177.813 -0.113 17719
6580 1 19 . 1 1 3 3 ALA CA C 22 52.600 52.600 53.835 -1.235 17719
6581 1 19 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.259 -0.159 17719
6582 1 19 . 1 1 3 3 ALA H H 22 8.550 8.550 8.792 -0.242 17719
6583 1 19 . 1 1 4 4 ALA N N 23 123.600 123.600 122.544 1.056 17719
6584 1 19 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.532 -0.222 17719
6585 1 19 . 1 1 4 4 ALA C C 23 177.900 177.900 176.255 1.645 17719
6586 1 19 . 1 1 4 4 ALA CA C 23 52.600 52.600 51.718 0.881 17719
6587 1 19 . 1 1 4 4 ALA CB C 23 19.100 19.100 20.077 -0.977 17719
6588 1 19 . 1 1 4 4 ALA H H 23 8.400 8.400 7.858 0.542 17719
6589 1 19 . 1 1 5 5 SER N N 24 115.100 115.100 119.247 -4.147 17719
6590 1 19 . 1 1 5 5 SER HA H 24 4.440 4.440 4.612 -0.172 17719
6591 1 19 . 1 1 5 5 SER C C 24 174.500 174.500 174.966 -0.466 17719
6592 1 19 . 1 1 5 5 SER CA C 24 58.200 58.200 57.935 0.265 17719
6593 1 19 . 1 1 5 5 SER CB C 24 63.800 63.800 63.658 0.142 17719
6594 1 19 . 1 1 5 5 SER H H 24 8.300 8.300 8.457 -0.157 17719
6595 1 19 . 1 1 6 6 LEU N N 25 124.200 124.200 126.186 -1.986 17719
6596 1 19 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.384 0.046 17719
6597 1 19 . 1 1 6 6 LEU C C 25 177.300 177.300 177.480 -0.180 17719
6598 1 19 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.225 -0.125 17719
6599 1 19 . 1 1 6 6 LEU CB C 25 42.400 42.400 42.320 0.080 17719
6600 1 19 . 1 1 6 6 LEU H H 25 8.320 8.320 8.613 -0.293 17719
6601 1 19 . 1 1 7 7 SER N N 26 118.100 118.100 115.465 2.635 17719
6602 1 19 . 1 1 7 7 SER HA H 26 4.780 4.780 4.874 -0.094 17719
6603 1 19 . 1 1 7 7 SER C C 26 172.500 172.500 172.426 0.074 17719
6604 1 19 . 1 1 7 7 SER CA C 26 56.400 56.400 55.511 0.889 17719
6605 1 19 . 1 1 7 7 SER CB C 26 63.300 63.300 63.828 -0.528 17719
6606 1 19 . 1 1 7 7 SER H H 26 8.330 8.330 7.724 0.606 17719
6607 1 19 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.485 -0.015 17719
6608 1 19 . 1 1 8 8 PRO C C 27 176.600 176.600 176.635 -0.035 17719
6609 1 19 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.839 0.161 17719
6610 1 19 . 1 1 8 8 PRO CB C 27 32.400 32.400 30.982 1.418 17719
6611 1 19 . 1 1 9 9 LYS N N 28 122.600 122.600 126.062 -3.462 17719
6612 1 19 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.405 -0.185 17719
6613 1 19 . 1 1 9 9 LYS C C 28 175.600 175.600 176.094 -0.494 17719
6614 1 19 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.336 0.164 17719
6615 1 19 . 1 1 9 9 LYS CB C 28 33.100 33.100 32.981 0.119 17719
6616 1 19 . 1 1 9 9 LYS H H 28 8.410 8.410 8.159 0.251 17719
6617 1 19 . 1 1 10 10 LYS N N 29 123.700 123.700 121.294 2.406 17719
6618 1 19 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.417 -0.097 17719
6619 1 19 . 1 1 10 10 LYS C C 29 175.800 175.800 175.469 0.331 17719
6620 1 19 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.532 0.768 17719
6621 1 19 . 1 1 10 10 LYS CB C 29 33.900 33.900 33.692 0.208 17719
6622 1 19 . 1 1 10 10 LYS H H 29 8.290 8.290 8.243 0.047 17719
6623 1 19 . 1 1 11 11 VAL N N 30 122.800 122.800 121.749 1.051 17719
6624 1 19 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.702 0.128 17719
6625 1 19 . 1 1 11 11 VAL C C 30 174.400 174.400 175.678 -1.278 17719
6626 1 19 . 1 1 11 11 VAL CA C 30 62.200 62.200 62.495 -0.295 17719
6627 1 19 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.349 1.051 17719
6628 1 19 . 1 1 11 11 VAL H H 30 8.010 8.010 8.052 -0.042 17719
6629 1 19 . 1 1 12 12 ASP N N 31 126.200 126.200 128.775 -2.575 17719
6630 1 19 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.587 0.233 17719
6631 1 19 . 1 1 12 12 ASP C C 31 176.800 176.800 175.349 1.451 17719
6632 1 19 . 1 1 12 12 ASP CA C 31 52.200 52.200 53.939 -1.739 17719
6633 1 19 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.428 0.572 17719
6634 1 19 . 1 1 12 12 ASP H H 31 8.580 8.580 8.450 0.130 17719
6635 1 19 . 1 1 13 13 CYS N N 32 121.600 121.600 124.700 -3.100 17719
6636 1 19 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.795 0.255 17719
6637 1 19 . 1 1 13 13 CYS C C 32 176.800 176.800 175.767 1.033 17719
6638 1 19 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.285 -4.885 17719
6639 1 19 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.532 5.868 17719
6640 1 19 . 1 1 13 13 CYS H H 32 9.070 9.070 8.505 0.565 17719
6641 1 19 . 1 1 14 14 SER N N 33 118.000 118.000 117.946 0.054 17719
6642 1 19 . 1 1 14 14 SER HA H 33 4.030 4.030 4.244 -0.214 17719
6643 1 19 . 1 1 14 14 SER C C 33 177.100 177.100 176.314 0.786 17719
6644 1 19 . 1 1 14 14 SER CA C 33 62.400 62.400 61.687 0.713 17719
6645 1 19 . 1 1 14 14 SER CB C 33 62.600 62.600 63.087 -0.487 17719
6646 1 19 . 1 1 14 14 SER H H 33 8.760 8.760 7.921 0.839 17719
6647 1 19 . 1 1 15 15 ILE N N 34 117.700 117.700 117.968 -0.268 17719
6648 1 19 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.840 0.150 17719
6649 1 19 . 1 1 15 15 ILE C C 34 176.600 176.600 176.218 0.382 17719
6650 1 19 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.951 -0.451 17719
6651 1 19 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.569 -0.169 17719
6652 1 19 . 1 1 15 15 ILE H H 34 7.200 7.200 8.637 -1.437 17719
6653 1 19 . 1 1 16 16 TYR N N 35 118.000 118.000 117.295 0.705 17719
6654 1 19 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.924 -0.314 17719
6655 1 19 . 1 1 16 16 TYR C C 35 176.300 176.300 177.308 -1.008 17719
6656 1 19 . 1 1 16 16 TYR CA C 35 58.800 58.800 58.525 0.275 17719
6657 1 19 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.813 -1.213 17719
6658 1 19 . 1 1 16 16 TYR H H 35 7.470 7.470 7.414 0.056 17719
6659 1 19 . 1 1 17 17 LYS N N 36 119.200 119.200 119.181 0.019 17719
6660 1 19 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.133 0.097 17719
6661 1 19 . 1 1 17 17 LYS C C 36 176.300 176.300 176.902 -0.602 17719
6662 1 19 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.605 0.095 17719
6663 1 19 . 1 1 17 17 LYS CB C 36 32.300 32.300 32.181 0.119 17719
6664 1 19 . 1 1 17 17 LYS H H 36 7.590 7.590 7.444 0.146 17719
6665 1 19 . 1 1 18 18 LYS N N 37 115.100 115.100 116.168 -1.068 17719
6666 1 19 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.097 0.053 17719
6667 1 19 . 1 1 18 18 LYS C C 37 175.500 175.500 176.835 -1.335 17719
6668 1 19 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.289 -0.589 17719
6669 1 19 . 1 1 18 18 LYS CB C 37 31.700 31.700 31.852 -0.152 17719
6670 1 19 . 1 1 18 18 LYS H H 37 7.410 7.410 7.909 -0.499 17719
6671 1 19 . 1 1 19 19 TYR N N 38 120.200 120.200 119.566 0.634 17719
6672 1 19 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.708 0.102 17719
6673 1 19 . 1 1 19 19 TYR C C 38 173.600 173.600 174.108 -0.508 17719
6674 1 19 . 1 1 19 19 TYR CA C 38 56.500 56.500 55.502 0.998 17719
6675 1 19 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.594 0.606 17719
6676 1 19 . 1 1 19 19 TYR H H 38 7.390 7.390 7.648 -0.258 17719
6677 1 19 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.419 0.161 17719
6678 1 19 . 1 1 20 20 PRO C C 39 179.000 179.000 176.225 2.775 17719
6679 1 19 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.869 0.231 17719
6680 1 19 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.548 -0.848 17719
6681 1 19 . 1 1 21 21 VAL N N 40 123.200 123.200 118.718 4.482 17719
6682 1 19 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.913 0.107 17719
6683 1 19 . 1 1 21 21 VAL C C 40 176.400 176.400 177.651 -1.251 17719
6684 1 19 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.076 -0.376 17719
6685 1 19 . 1 1 21 21 VAL CB C 40 32.000 32.000 32.006 -0.006 17719
6686 1 19 . 1 1 21 21 VAL H H 40 8.400 8.400 8.363 0.037 17719
6687 1 19 . 1 1 22 22 VAL N N 41 110.600 110.600 111.196 -0.596 17719
6688 1 19 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.270 -0.060 17719
6689 1 19 . 1 1 22 22 VAL C C 41 175.600 175.600 175.540 0.060 17719
6690 1 19 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.944 -1.444 17719
6691 1 19 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.453 0.347 17719
6692 1 19 . 1 1 22 22 VAL H H 41 7.140 7.140 7.752 -0.612 17719
6693 1 19 . 1 1 23 23 ALA N N 42 126.600 126.600 124.618 1.982 17719
6694 1 19 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.678 -0.188 17719
6695 1 19 . 1 1 23 23 ALA C C 42 175.700 175.700 175.724 -0.024 17719
6696 1 19 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.161 0.239 17719
6697 1 19 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.014 0.086 17719
6698 1 19 . 1 1 23 23 ALA H H 42 8.280 8.280 7.941 0.339 17719
6699 1 19 . 1 1 24 24 ILE N N 43 123.300 123.300 124.047 -0.747 17719
6700 1 19 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.313 -0.473 17719
6701 1 19 . 1 1 24 24 ILE C C 43 174.900 174.900 173.699 1.201 17719
6702 1 19 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.755 1.745 17719
6703 1 19 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.358 -1.358 17719
6704 1 19 . 1 1 24 24 ILE H H 43 7.970 7.970 7.960 0.010 17719
6705 1 19 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.344 0.136 17719
6706 1 19 . 1 1 25 25 PRO C C 44 175.900 175.900 175.595 0.305 17719
6707 1 19 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.563 -0.763 17719
6708 1 19 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.645 -1.245 17719
6709 1 19 . 1 1 26 26 CYS N N 45 120.500 120.500 121.530 -1.030 17719
6710 1 19 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.568 0.822 17719
6711 1 19 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.451 -6.551 17719
6712 1 19 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.269 7.131 17719
6713 1 19 . 1 1 26 26 CYS H H 45 8.290 8.290 8.364 -0.074 17719
6714 1 19 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.548 0.102 17719
6715 1 19 . 1 1 27 27 PRO C C 46 177.000 177.000 176.395 0.605 17719
6716 1 19 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.897 -0.497 17719
6717 1 19 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.356 0.544 17719
6718 1 19 . 1 1 28 28 ILE N N 47 116.600 116.600 113.619 2.981 17719
6719 1 19 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.374 -0.014 17719
6720 1 19 . 1 1 28 28 ILE C C 47 176.200 176.200 175.673 0.527 17719
6721 1 19 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.488 -0.188 17719
6722 1 19 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.789 0.210 17719
6723 1 19 . 1 1 28 28 ILE H H 47 8.590 8.590 8.184 0.406 17719
6724 1 19 . 1 1 29 29 THR N N 48 114.700 114.700 117.483 -2.783 17719
6725 1 19 . 1 1 29 29 THR HA H 48 3.890 3.890 4.439 -0.549 17719
6726 1 19 . 1 1 29 29 THR C C 48 173.200 173.200 173.061 0.139 17719
6727 1 19 . 1 1 29 29 THR CA C 48 62.600 62.600 61.375 1.225 17719
6728 1 19 . 1 1 29 29 THR CB C 48 70.000 70.000 69.779 0.221 17719
6729 1 19 . 1 1 29 29 THR H H 48 7.130 7.130 7.435 -0.305 17719
6730 1 19 . 1 1 30 30 TYR N N 49 129.100 129.100 128.296 0.804 17719
6731 1 19 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.627 0.333 17719
6732 1 19 . 1 1 30 30 TYR C C 49 173.900 173.900 174.511 -0.611 17719
6733 1 19 . 1 1 30 30 TYR CA C 49 57.600 57.600 58.276 -0.676 17719
6734 1 19 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.374 -1.374 17719
6735 1 19 . 1 1 30 30 TYR H H 49 9.020 9.020 8.683 0.337 17719
6736 1 19 . 1 1 31 31 LEU N N 50 131.700 131.700 130.060 1.640 17719
6737 1 19 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.886 -0.326 17719
6738 1 19 . 1 1 31 31 LEU C C 50 172.200 172.200 174.508 -2.308 17719
6739 1 19 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.566 1.034 17719
6740 1 19 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.660 -1.760 17719
6741 1 19 . 1 1 31 31 LEU H H 50 8.600 8.600 8.673 -0.073 17719
6742 1 19 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.686 -0.246 17719
6743 1 19 . 1 1 32 32 PRO C C 51 176.800 176.800 176.288 0.512 17719
6744 1 19 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.704 -0.004 17719
6745 1 19 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.324 1.576 17719
6746 1 19 . 1 1 33 33 VAL N N 52 110.700 110.700 118.709 -8.009 17719
6747 1 19 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.664 0.056 17719
6748 1 19 . 1 1 33 33 VAL C C 52 172.600 172.600 173.993 -1.393 17719
6749 1 19 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.597 0.003 17719
6750 1 19 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.182 0.518 17719
6751 1 19 . 1 1 33 33 VAL H H 52 8.230 8.230 8.421 -0.191 17719
6752 1 19 . 1 1 34 34 CYS N N 53 122.200 122.200 121.912 0.288 17719
6753 1 19 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.246 -0.156 17719
6754 1 19 . 1 1 34 34 CYS C C 53 175.600 175.600 174.879 0.721 17719
6755 1 19 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.083 -1.583 17719
6756 1 19 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.633 10.667 17719
6757 1 19 . 1 1 34 34 CYS H H 53 8.550 8.550 8.344 0.206 17719
6758 1 19 . 1 1 35 35 GLY N N 54 115.900 115.900 113.788 2.112 17719
6759 1 19 . 1 1 35 35 GLY C C 54 174.500 174.500 175.141 -0.641 17719
6760 1 19 . 1 1 35 35 GLY CA C 54 44.700 44.700 44.010 0.690 17719
6761 1 19 . 1 1 35 35 GLY H H 54 9.060 9.060 9.172 -0.112 17719
6762 1 19 . 1 1 36 36 SER N N 55 113.400 113.400 116.852 -3.452 17719
6763 1 19 . 1 1 36 36 SER HA H 55 3.760 3.760 3.988 -0.228 17719
6764 1 19 . 1 1 36 36 SER C C 55 173.300 173.300 174.460 -1.160 17719
6765 1 19 . 1 1 36 36 SER CA C 55 60.400 60.400 60.868 -0.468 17719
6766 1 19 . 1 1 36 36 SER CB C 55 62.300 62.300 63.026 -0.726 17719
6767 1 19 . 1 1 36 36 SER H H 55 9.270 9.270 8.606 0.664 17719
6768 1 19 . 1 1 37 37 ASP N N 56 121.100 121.100 119.381 1.719 17719
6769 1 19 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.690 -0.350 17719
6770 1 19 . 1 1 37 37 ASP C C 56 175.600 175.600 175.777 -0.177 17719
6771 1 19 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.542 -0.442 17719
6772 1 19 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.824 -1.224 17719
6773 1 19 . 1 1 37 37 ASP H H 56 9.150 9.150 7.975 1.175 17719
6774 1 19 . 1 1 38 38 TYR N N 57 116.100 116.100 113.902 2.198 17719
6775 1 19 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.107 -0.097 17719
6776 1 19 . 1 1 38 38 TYR C C 57 174.700 174.700 174.340 0.360 17719
6777 1 19 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.541 1.459 17719
6778 1 19 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.522 -1.222 17719
6779 1 19 . 1 1 38 38 TYR H H 57 8.630 8.630 7.573 1.057 17719
6780 1 19 . 1 1 39 39 ILE N N 58 120.700 120.700 121.094 -0.394 17719
6781 1 19 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.298 -0.288 17719
6782 1 19 . 1 1 39 39 ILE C C 58 174.900 174.900 175.329 -0.429 17719
6783 1 19 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.083 0.217 17719
6784 1 19 . 1 1 39 39 ILE CB C 58 37.600 37.600 40.120 -2.520 17719
6785 1 19 . 1 1 39 39 ILE H H 58 7.480 7.480 7.417 0.063 17719
6786 1 19 . 1 1 40 40 THR N N 59 123.700 123.700 122.878 0.822 17719
6787 1 19 . 1 1 40 40 THR HA H 59 4.670 4.670 4.878 -0.207 17719
6788 1 19 . 1 1 40 40 THR C C 59 174.800 174.800 173.864 0.936 17719
6789 1 19 . 1 1 40 40 THR CA C 59 62.700 62.700 62.233 0.467 17719
6790 1 19 . 1 1 40 40 THR CB C 59 68.900 68.900 69.480 -0.580 17719
6791 1 19 . 1 1 40 40 THR H H 59 8.090 8.090 8.366 -0.276 17719
6792 1 19 . 1 1 41 41 TYR N N 60 129.700 129.700 124.951 4.749 17719
6793 1 19 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.648 -0.238 17719
6794 1 19 . 1 1 41 41 TYR C C 60 177.200 177.200 176.689 0.511 17719
6795 1 19 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.074 1.126 17719
6796 1 19 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.797 1.003 17719
6797 1 19 . 1 1 41 41 TYR H H 60 9.550 9.550 9.137 0.413 17719
6798 1 19 . 1 1 42 42 GLY N N 61 107.800 107.800 108.982 -1.182 17719
6799 1 19 . 1 1 42 42 GLY C C 61 172.800 172.800 172.624 0.176 17719
6800 1 19 . 1 1 42 42 GLY CA C 61 47.700 47.700 46.063 1.637 17719
6801 1 19 . 1 1 42 42 GLY H H 61 9.310 9.310 8.997 0.313 17719
6802 1 19 . 1 1 43 43 ASN N N 62 104.600 104.600 113.708 -9.108 17719
6803 1 19 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.152 -0.202 17719
6804 1 19 . 1 1 43 43 ASN C C 62 176.700 176.700 175.045 1.655 17719
6805 1 19 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.729 0.771 17719
6806 1 19 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.987 -0.087 17719
6807 1 19 . 1 1 43 43 ASN H H 62 7.380 7.380 7.806 -0.426 17719
6808 1 19 . 1 1 44 44 GLU N N 63 118.300 118.300 119.890 -1.590 17719
6809 1 19 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.105 -0.215 17719
6810 1 19 . 1 1 44 44 GLU C C 63 176.100 176.100 177.494 -1.394 17719
6811 1 19 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.414 0.286 17719
6812 1 19 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.630 1.170 17719
6813 1 19 . 1 1 44 44 GLU H H 63 9.310 9.310 8.692 0.618 17719
6814 1 19 . 1 1 45 45 CYS N N 64 121.400 121.400 121.136 0.264 17719
6815 1 19 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.643 -0.273 17719
6816 1 19 . 1 1 45 45 CYS C C 64 177.700 177.700 176.099 1.601 17719
6817 1 19 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.691 -1.591 17719
6818 1 19 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.331 10.069 17719
6819 1 19 . 1 1 45 45 CYS H H 64 8.270 8.270 8.261 0.009 17719
6820 1 19 . 1 1 46 46 HIS N N 65 121.000 121.000 119.193 1.807 17719
6821 1 19 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.423 -0.043 17719
6822 1 19 . 1 1 46 46 HIS C C 65 177.800 177.800 178.078 -0.278 17719
6823 1 19 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.061 0.639 17719
6824 1 19 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.304 0.196 17719
6825 1 19 . 1 1 46 46 HIS H H 65 8.120 8.120 8.096 0.024 17719
6826 1 19 . 1 1 47 47 LEU N N 66 122.300 122.300 121.496 0.804 17719
6827 1 19 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.153 -0.303 17719
6828 1 19 . 1 1 47 47 LEU C C 66 178.300 178.300 178.283 0.017 17719
6829 1 19 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.361 1.139 17719
6830 1 19 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.126 -0.526 17719
6831 1 19 . 1 1 47 47 LEU H H 66 7.630 7.630 7.745 -0.115 17719
6832 1 19 . 1 1 48 48 CYS N N 67 117.500 117.500 119.321 -1.821 17719
6833 1 19 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.962 0.478 17719
6834 1 19 . 1 1 48 48 CYS C C 67 176.700 176.700 176.680 0.020 17719
6835 1 19 . 1 1 48 48 CYS CA C 67 56.200 56.200 63.119 -6.919 17719
6836 1 19 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.877 9.223 17719
6837 1 19 . 1 1 48 48 CYS H H 67 8.960 8.960 8.358 0.602 17719
6838 1 19 . 1 1 49 49 THR N N 68 118.000 118.000 116.650 1.350 17719
6839 1 19 . 1 1 49 49 THR HA H 68 3.800 3.800 3.934 -0.134 17719
6840 1 19 . 1 1 49 49 THR C C 68 175.400 175.400 176.589 -1.189 17719
6841 1 19 . 1 1 49 49 THR CA C 68 67.600 67.600 66.025 1.575 17719
6842 1 19 . 1 1 49 49 THR CB C 68 68.800 68.800 68.043 0.757 17719
6843 1 19 . 1 1 49 49 THR H H 68 8.330 8.330 8.343 -0.013 17719
6844 1 19 . 1 1 50 50 GLU N N 69 121.300 121.300 121.597 -0.297 17719
6845 1 19 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.110 0.150 17719
6846 1 19 . 1 1 50 50 GLU C C 69 180.000 180.000 178.610 1.390 17719
6847 1 19 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.703 -0.503 17719
6848 1 19 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.035 -0.435 17719
6849 1 19 . 1 1 50 50 GLU H H 69 7.070 7.070 7.858 -0.788 17719
6850 1 19 . 1 1 51 51 SER N N 70 117.100 117.100 116.559 0.541 17719
6851 1 19 . 1 1 51 51 SER HA H 70 4.030 4.030 4.202 -0.172 17719
6852 1 19 . 1 1 51 51 SER C C 70 177.800 177.800 176.533 1.267 17719
6853 1 19 . 1 1 51 51 SER CA C 70 62.400 62.400 62.024 0.376 17719
6854 1 19 . 1 1 51 51 SER CB C 70 64.900 64.900 62.884 2.016 17719
6855 1 19 . 1 1 51 51 SER H H 70 9.040 9.040 8.050 0.990 17719
6856 1 19 . 1 1 52 52 LEU N N 71 119.100 119.100 121.095 -1.995 17719
6857 1 19 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.038 0.162 17719
6858 1 19 . 1 1 52 52 LEU C C 71 181.400 181.400 179.457 1.943 17719
6859 1 19 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.799 0.101 17719
6860 1 19 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.577 -0.277 17719
6861 1 19 . 1 1 52 52 LEU H H 71 8.540 8.540 8.357 0.183 17719
6862 1 19 . 1 1 53 53 LYS N N 72 121.700 121.700 121.299 0.401 17719
6863 1 19 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.019 0.021 17719
6864 1 19 . 1 1 53 53 LYS C C 72 177.600 177.600 178.092 -0.492 17719
6865 1 19 . 1 1 53 53 LYS CA C 72 59.800 59.800 58.995 0.805 17719
6866 1 19 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.370 0.730 17719
6867 1 19 . 1 1 53 53 LYS H H 72 8.380 8.380 8.372 0.008 17719
6868 1 19 . 1 1 54 54 SER N N 73 111.300 111.300 112.892 -1.592 17719
6869 1 19 . 1 1 54 54 SER HA H 73 4.600 4.600 4.638 -0.038 17719
6870 1 19 . 1 1 54 54 SER C C 73 175.300 175.300 173.394 1.906 17719
6871 1 19 . 1 1 54 54 SER CA C 73 58.300 58.300 58.492 -0.192 17719
6872 1 19 . 1 1 54 54 SER CB C 73 64.700 64.700 63.600 1.100 17719
6873 1 19 . 1 1 54 54 SER H H 73 8.150 8.150 8.251 -0.101 17719
6874 1 19 . 1 1 55 55 ASN N N 74 120.000 120.000 118.291 1.709 17719
6875 1 19 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.386 0.124 17719
6876 1 19 . 1 1 55 55 ASN C C 74 175.600 175.600 175.362 0.238 17719
6877 1 19 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.352 0.148 17719
6878 1 19 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.924 0.176 17719
6879 1 19 . 1 1 55 55 ASN H H 74 8.070 8.070 8.222 -0.152 17719
6880 1 19 . 1 1 56 56 GLY N N 75 103.900 103.900 103.020 0.880 17719
6881 1 19 . 1 1 56 56 GLY C C 75 174.700 174.700 174.725 -0.025 17719
6882 1 19 . 1 1 56 56 GLY CA C 75 45.000 45.000 44.981 0.019 17719
6883 1 19 . 1 1 56 56 GLY H H 75 8.970 8.970 8.533 0.437 17719
6884 1 19 . 1 1 57 57 ARG N N 76 122.200 122.200 120.866 1.334 17719
6885 1 19 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.130 -0.090 17719
6886 1 19 . 1 1 57 57 ARG C C 76 177.200 177.200 175.934 1.266 17719
6887 1 19 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.403 0.797 17719
6888 1 19 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.839 -0.439 17719
6889 1 19 . 1 1 57 57 ARG H H 76 7.600 7.600 7.829 -0.229 17719
6890 1 19 . 1 1 58 58 VAL N N 77 117.000 117.000 117.966 -0.966 17719
6891 1 19 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.249 -0.539 17719
6892 1 19 . 1 1 58 58 VAL C C 77 174.500 174.500 174.214 0.286 17719
6893 1 19 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.542 2.658 17719
6894 1 19 . 1 1 58 58 VAL CB C 77 32.800 32.800 33.429 -0.629 17719
6895 1 19 . 1 1 58 58 VAL H H 77 7.340 7.340 8.001 -0.661 17719
6896 1 19 . 1 1 59 59 GLN N N 78 125.000 125.000 125.048 -0.048 17719
6897 1 19 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.639 -0.159 17719
6898 1 19 . 1 1 59 59 GLN C C 78 174.900 174.900 174.562 0.338 17719
6899 1 19 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.393 -0.593 17719
6900 1 19 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.640 -0.040 17719
6901 1 19 . 1 1 59 59 GLN H H 78 8.510 8.510 8.486 0.024 17719
6902 1 19 . 1 1 60 60 PHE N N 79 121.400 121.400 121.441 -0.041 17719
6903 1 19 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.397 -0.447 17719
6904 1 19 . 1 1 60 60 PHE C C 79 173.900 173.900 175.062 -1.162 17719
6905 1 19 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.133 1.167 17719
6906 1 19 . 1 1 60 60 PHE CB C 79 39.900 39.900 38.892 1.008 17719
6907 1 19 . 1 1 60 60 PHE H H 79 9.050 9.050 8.641 0.409 17719
6908 1 19 . 1 1 61 61 LEU N N 80 128.900 128.900 129.011 -0.111 17719
6909 1 19 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.172 0.348 17719
6910 1 19 . 1 1 61 61 LEU C C 80 175.700 175.700 175.165 0.535 17719
6911 1 19 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.464 0.536 17719
6912 1 19 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.369 1.031 17719
6913 1 19 . 1 1 61 61 LEU H H 80 8.270 8.270 8.536 -0.266 17719
6914 1 19 . 1 1 62 62 HIS N N 81 107.500 107.500 109.485 -1.985 17719
6915 1 19 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.450 -0.080 17719
6916 1 19 . 1 1 62 62 HIS C C 81 172.000 172.000 172.348 -0.348 17719
6917 1 19 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.737 1.363 17719
6918 1 19 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.224 -1.524 17719
6919 1 19 . 1 1 62 62 HIS H H 81 6.860 6.860 7.017 -0.157 17719
6920 1 19 . 1 1 63 63 ASP N N 82 120.900 120.900 120.123 0.777 17719
6921 1 19 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.564 0.336 17719
6922 1 19 . 1 1 63 63 ASP C C 82 178.500 178.500 177.034 1.466 17719
6923 1 19 . 1 1 63 63 ASP CA C 82 55.600 55.600 55.295 0.305 17719
6924 1 19 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.260 1.140 17719
6925 1 19 . 1 1 63 63 ASP H H 82 9.330 9.330 8.488 0.842 17719
6926 1 19 . 1 1 64 64 GLY N N 83 114.500 114.500 109.178 5.322 17719
6927 1 19 . 1 1 64 64 GLY C C 83 170.400 170.400 174.001 -3.601 17719
6928 1 19 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.442 0.458 17719
6929 1 19 . 1 1 64 64 GLY H H 83 8.330 8.330 8.056 0.274 17719
6930 1 19 . 1 1 65 65 SER N N 84 107.400 107.400 116.309 -8.909 17719
6931 1 19 . 1 1 65 65 SER HA H 84 4.140 4.140 4.229 -0.089 17719
6932 1 19 . 1 1 65 65 SER C C 84 176.400 176.400 175.638 0.762 17719
6933 1 19 . 1 1 65 65 SER CA C 84 58.300 58.300 59.097 -0.798 17719
6934 1 19 . 1 1 65 65 SER CB C 84 63.900 63.900 63.865 0.035 17719
6935 1 19 . 1 1 65 65 SER H H 84 7.870 7.870 8.450 -0.580 17719
6936 1 20 . 1 1 2 2 GLU N N 21 121.800 121.800 124.873 -3.073 17719
6937 1 20 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.179 0.211 17719
6938 1 20 . 1 1 2 2 GLU C C 21 176.100 176.100 175.974 0.126 17719
6939 1 20 . 1 1 2 2 GLU CA C 21 56.200 56.200 58.049 -1.849 17719
6940 1 20 . 1 1 2 2 GLU CB C 21 30.300 30.300 30.277 0.023 17719
6941 1 20 . 1 1 2 2 GLU H H 21 8.860 8.860 9.054 -0.194 17719
6942 1 20 . 1 1 3 3 ALA N N 22 126.000 126.000 120.211 5.789 17719
6943 1 20 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.582 -0.312 17719
6944 1 20 . 1 1 3 3 ALA C C 22 177.700 177.700 176.954 0.746 17719
6945 1 20 . 1 1 3 3 ALA CA C 22 52.600 52.600 51.512 1.088 17719
6946 1 20 . 1 1 3 3 ALA CB C 22 19.100 19.100 20.298 -1.198 17719
6947 1 20 . 1 1 3 3 ALA H H 22 8.550 8.550 7.411 1.139 17719
6948 1 20 . 1 1 4 4 ALA N N 23 123.600 123.600 121.978 1.622 17719
6949 1 20 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.233 0.077 17719
6950 1 20 . 1 1 4 4 ALA C C 23 177.900 177.900 176.964 0.936 17719
6951 1 20 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.727 -0.127 17719
6952 1 20 . 1 1 4 4 ALA CB C 23 19.100 19.100 18.569 0.531 17719
6953 1 20 . 1 1 4 4 ALA H H 23 8.400 8.400 8.602 -0.202 17719
6954 1 20 . 1 1 5 5 SER N N 24 115.100 115.100 111.298 3.802 17719
6955 1 20 . 1 1 5 5 SER HA H 24 4.440 4.440 4.271 0.169 17719
6956 1 20 . 1 1 5 5 SER C C 24 174.500 174.500 174.413 0.087 17719
6957 1 20 . 1 1 5 5 SER CA C 24 58.200 58.200 58.970 -0.770 17719
6958 1 20 . 1 1 5 5 SER CB C 24 63.800 63.800 62.915 0.885 17719
6959 1 20 . 1 1 5 5 SER H H 24 8.300 8.300 7.702 0.598 17719
6960 1 20 . 1 1 6 6 LEU N N 25 124.200 124.200 121.194 3.006 17719
6961 1 20 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.439 -0.009 17719
6962 1 20 . 1 1 6 6 LEU C C 25 177.300 177.300 176.348 0.952 17719
6963 1 20 . 1 1 6 6 LEU CA C 25 55.100 55.100 57.445 -2.345 17719
6964 1 20 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.942 0.458 17719
6965 1 20 . 1 1 6 6 LEU H H 25 8.320 8.320 8.378 -0.058 17719
6966 1 20 . 1 1 7 7 SER N N 26 118.100 118.100 112.581 5.519 17719
6967 1 20 . 1 1 7 7 SER HA H 26 4.780 4.780 4.731 0.049 17719
6968 1 20 . 1 1 7 7 SER C C 26 172.500 172.500 172.019 0.481 17719
6969 1 20 . 1 1 7 7 SER CA C 26 56.400 56.400 56.217 0.183 17719
6970 1 20 . 1 1 7 7 SER CB C 26 63.300 63.300 64.600 -1.300 17719
6971 1 20 . 1 1 7 7 SER H H 26 8.330 8.330 7.558 0.772 17719
6972 1 20 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.389 0.081 17719
6973 1 20 . 1 1 8 8 PRO C C 27 176.600 176.600 176.300 0.300 17719
6974 1 20 . 1 1 8 8 PRO CA C 27 63.000 63.000 63.041 -0.041 17719
6975 1 20 . 1 1 8 8 PRO CB C 27 32.400 32.400 31.919 0.482 17719
6976 1 20 . 1 1 9 9 LYS N N 28 122.600 122.600 124.921 -2.321 17719
6977 1 20 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.452 -0.232 17719
6978 1 20 . 1 1 9 9 LYS C C 28 175.600 175.600 175.842 -0.242 17719
6979 1 20 . 1 1 9 9 LYS CA C 28 56.500 56.500 55.242 1.258 17719
6980 1 20 . 1 1 9 9 LYS CB C 28 33.100 33.100 34.307 -1.207 17719
6981 1 20 . 1 1 9 9 LYS H H 28 8.410 8.410 8.243 0.167 17719
6982 1 20 . 1 1 10 10 LYS N N 29 123.700 123.700 121.442 2.258 17719
6983 1 20 . 1 1 10 10 LYS HA H 29 4.320 4.320 3.597 0.723 17719
6984 1 20 . 1 1 10 10 LYS C C 29 175.800 175.800 175.842 -0.042 17719
6985 1 20 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.435 0.865 17719
6986 1 20 . 1 1 10 10 LYS CB C 29 33.900 33.900 33.321 0.579 17719
6987 1 20 . 1 1 10 10 LYS H H 29 8.290 8.290 8.346 -0.056 17719
6988 1 20 . 1 1 11 11 VAL N N 30 122.800 122.800 120.640 2.160 17719
6989 1 20 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.775 0.055 17719
6990 1 20 . 1 1 11 11 VAL C C 30 174.400 174.400 175.262 -0.862 17719
6991 1 20 . 1 1 11 11 VAL CA C 30 62.200 62.200 62.529 -0.329 17719
6992 1 20 . 1 1 11 11 VAL CB C 30 33.400 33.400 32.367 1.033 17719
6993 1 20 . 1 1 11 11 VAL H H 30 8.010 8.010 7.922 0.088 17719
6994 1 20 . 1 1 12 12 ASP N N 31 126.200 126.200 128.731 -2.531 17719
6995 1 20 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.592 0.228 17719
6996 1 20 . 1 1 12 12 ASP C C 31 176.800 176.800 175.851 0.949 17719
6997 1 20 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.353 -2.153 17719
6998 1 20 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.297 0.703 17719
6999 1 20 . 1 1 12 12 ASP H H 31 8.580 8.580 8.547 0.033 17719
7000 1 20 . 1 1 13 13 CYS N N 32 121.600 121.600 124.572 -2.972 17719
7001 1 20 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.696 0.354 17719
7002 1 20 . 1 1 13 13 CYS C C 32 176.800 176.800 175.876 0.924 17719
7003 1 20 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.628 -5.228 17719
7004 1 20 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.237 6.163 17719
7005 1 20 . 1 1 13 13 CYS H H 32 9.070 9.070 8.391 0.679 17719
7006 1 20 . 1 1 14 14 SER N N 33 118.000 118.000 117.435 0.565 17719
7007 1 20 . 1 1 14 14 SER HA H 33 4.030 4.030 4.067 -0.037 17719
7008 1 20 . 1 1 14 14 SER C C 33 177.100 177.100 175.659 1.441 17719
7009 1 20 . 1 1 14 14 SER CA C 33 62.400 62.400 62.086 0.314 17719
7010 1 20 . 1 1 14 14 SER CB C 33 62.600 62.600 62.864 -0.264 17719
7011 1 20 . 1 1 14 14 SER H H 33 8.760 8.760 8.110 0.650 17719
7012 1 20 . 1 1 15 15 ILE N N 34 117.700 117.700 115.079 2.621 17719
7013 1 20 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.783 0.207 17719
7014 1 20 . 1 1 15 15 ILE C C 34 176.600 176.600 176.094 0.506 17719
7015 1 20 . 1 1 15 15 ILE CA C 34 63.500 63.500 62.918 0.582 17719
7016 1 20 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.718 -0.318 17719
7017 1 20 . 1 1 15 15 ILE H H 34 7.200 7.200 7.488 -0.288 17719
7018 1 20 . 1 1 16 16 TYR N N 35 118.000 118.000 117.703 0.297 17719
7019 1 20 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.430 0.180 17719
7020 1 20 . 1 1 16 16 TYR C C 35 176.300 176.300 177.855 -1.555 17719
7021 1 20 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.394 -0.594 17719
7022 1 20 . 1 1 16 16 TYR CB C 35 37.600 37.600 39.030 -1.430 17719
7023 1 20 . 1 1 16 16 TYR H H 35 7.470 7.470 7.703 -0.233 17719
7024 1 20 . 1 1 17 17 LYS N N 36 119.200 119.200 119.677 -0.477 17719
7025 1 20 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.112 0.118 17719
7026 1 20 . 1 1 17 17 LYS C C 36 176.300 176.300 177.200 -0.900 17719
7027 1 20 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.793 -0.093 17719
7028 1 20 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.960 0.340 17719
7029 1 20 . 1 1 17 17 LYS H H 36 7.590 7.590 7.802 -0.212 17719
7030 1 20 . 1 1 18 18 LYS N N 37 115.100 115.100 117.206 -2.106 17719
7031 1 20 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.064 0.086 17719
7032 1 20 . 1 1 18 18 LYS C C 37 175.500 175.500 176.458 -0.958 17719
7033 1 20 . 1 1 18 18 LYS CA C 37 56.700 56.700 57.009 -0.309 17719
7034 1 20 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.703 -1.003 17719
7035 1 20 . 1 1 18 18 LYS H H 37 7.410 7.410 7.695 -0.285 17719
7036 1 20 . 1 1 19 19 TYR N N 38 120.200 120.200 120.001 0.199 17719
7037 1 20 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.755 0.055 17719
7038 1 20 . 1 1 19 19 TYR C C 38 173.600 173.600 173.862 -0.262 17719
7039 1 20 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.399 2.101 17719
7040 1 20 . 1 1 19 19 TYR CB C 38 38.200 38.200 37.361 0.839 17719
7041 1 20 . 1 1 19 19 TYR H H 38 7.390 7.390 7.542 -0.152 17719
7042 1 20 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.463 0.117 17719
7043 1 20 . 1 1 20 20 PRO C C 39 179.000 179.000 177.379 1.621 17719
7044 1 20 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.539 0.561 17719
7045 1 20 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.747 -1.047 17719
7046 1 20 . 1 1 21 21 VAL N N 40 123.200 123.200 120.151 3.049 17719
7047 1 20 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.846 0.174 17719
7048 1 20 . 1 1 21 21 VAL C C 40 176.400 176.400 177.048 -0.648 17719
7049 1 20 . 1 1 21 21 VAL CA C 40 64.700 64.700 64.597 0.103 17719
7050 1 20 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.840 0.160 17719
7051 1 20 . 1 1 21 21 VAL H H 40 8.400 8.400 8.424 -0.024 17719
7052 1 20 . 1 1 22 22 VAL N N 41 110.600 110.600 116.794 -6.194 17719
7053 1 20 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.076 0.134 17719
7054 1 20 . 1 1 22 22 VAL C C 41 175.600 175.600 175.583 0.017 17719
7055 1 20 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.282 -0.782 17719
7056 1 20 . 1 1 22 22 VAL CB C 41 31.800 31.800 32.077 -0.277 17719
7057 1 20 . 1 1 22 22 VAL H H 41 7.140 7.140 7.572 -0.432 17719
7058 1 20 . 1 1 23 23 ALA N N 42 126.600 126.600 123.952 2.648 17719
7059 1 20 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.599 -0.109 17719
7060 1 20 . 1 1 23 23 ALA C C 42 175.700 175.700 175.814 -0.114 17719
7061 1 20 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.193 0.207 17719
7062 1 20 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.531 -0.431 17719
7063 1 20 . 1 1 23 23 ALA H H 42 8.280 8.280 7.591 0.689 17719
7064 1 20 . 1 1 24 24 ILE N N 43 123.300 123.300 124.523 -1.223 17719
7065 1 20 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.376 -0.536 17719
7066 1 20 . 1 1 24 24 ILE C C 43 174.900 174.900 173.692 1.208 17719
7067 1 20 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.939 1.561 17719
7068 1 20 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.095 -1.095 17719
7069 1 20 . 1 1 24 24 ILE H H 43 7.970 7.970 8.062 -0.092 17719
7070 1 20 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.379 0.101 17719
7071 1 20 . 1 1 25 25 PRO C C 44 175.900 175.900 175.903 -0.003 17719
7072 1 20 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.467 -0.667 17719
7073 1 20 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.681 -1.281 17719
7074 1 20 . 1 1 26 26 CYS N N 45 120.500 120.500 121.796 -1.296 17719
7075 1 20 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.697 0.693 17719
7076 1 20 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.126 -6.226 17719
7077 1 20 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.180 7.220 17719
7078 1 20 . 1 1 26 26 CYS H H 45 8.290 8.290 8.325 -0.035 17719
7079 1 20 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.540 0.110 17719
7080 1 20 . 1 1 27 27 PRO C C 46 177.000 177.000 176.418 0.582 17719
7081 1 20 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.856 -0.456 17719
7082 1 20 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.341 0.559 17719
7083 1 20 . 1 1 28 28 ILE N N 47 116.600 116.600 114.240 2.360 17719
7084 1 20 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.142 0.218 17719
7085 1 20 . 1 1 28 28 ILE C C 47 176.200 176.200 176.123 0.077 17719
7086 1 20 . 1 1 28 28 ILE CA C 47 61.300 61.300 62.234 -0.934 17719
7087 1 20 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.707 0.293 17719
7088 1 20 . 1 1 28 28 ILE H H 47 8.590 8.590 8.127 0.463 17719
7089 1 20 . 1 1 29 29 THR N N 48 114.700 114.700 116.393 -1.693 17719
7090 1 20 . 1 1 29 29 THR HA H 48 3.890 3.890 4.387 -0.497 17719
7091 1 20 . 1 1 29 29 THR C C 48 173.200 173.200 173.455 -0.255 17719
7092 1 20 . 1 1 29 29 THR CA C 48 62.600 62.600 62.474 0.126 17719
7093 1 20 . 1 1 29 29 THR CB C 48 70.000 70.000 69.487 0.513 17719
7094 1 20 . 1 1 29 29 THR H H 48 7.130 7.130 7.620 -0.490 17719
7095 1 20 . 1 1 30 30 TYR N N 49 129.100 129.100 125.518 3.582 17719
7096 1 20 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.665 0.295 17719
7097 1 20 . 1 1 30 30 TYR C C 49 173.900 173.900 174.634 -0.734 17719
7098 1 20 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.797 -0.197 17719
7099 1 20 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.937 -1.937 17719
7100 1 20 . 1 1 30 30 TYR H H 49 9.020 9.020 8.494 0.526 17719
7101 1 20 . 1 1 31 31 LEU N N 50 131.700 131.700 129.412 2.288 17719
7102 1 20 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.829 -0.269 17719
7103 1 20 . 1 1 31 31 LEU C C 50 172.200 172.200 174.327 -2.127 17719
7104 1 20 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.742 0.858 17719
7105 1 20 . 1 1 31 31 LEU CB C 50 42.900 42.900 44.231 -1.331 17719
7106 1 20 . 1 1 31 31 LEU H H 50 8.600 8.600 8.585 0.015 17719
7107 1 20 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.647 -0.207 17719
7108 1 20 . 1 1 32 32 PRO C C 51 176.800 176.800 176.145 0.655 17719
7109 1 20 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.604 0.096 17719
7110 1 20 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.285 1.615 17719
7111 1 20 . 1 1 33 33 VAL N N 52 110.700 110.700 118.628 -7.928 17719
7112 1 20 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.481 0.239 17719
7113 1 20 . 1 1 33 33 VAL C C 52 172.600 172.600 173.564 -0.964 17719
7114 1 20 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.349 0.251 17719
7115 1 20 . 1 1 33 33 VAL CB C 52 35.700 35.700 34.861 0.839 17719
7116 1 20 . 1 1 33 33 VAL H H 52 8.230 8.230 8.459 -0.229 17719
7117 1 20 . 1 1 34 34 CYS N N 53 122.200 122.200 121.761 0.439 17719
7118 1 20 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.178 -0.088 17719
7119 1 20 . 1 1 34 34 CYS C C 53 175.600 175.600 174.566 1.034 17719
7120 1 20 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.248 -1.748 17719
7121 1 20 . 1 1 34 34 CYS CB C 53 39.300 39.300 29.209 10.091 17719
7122 1 20 . 1 1 34 34 CYS H H 53 8.550 8.550 8.515 0.035 17719
7123 1 20 . 1 1 35 35 GLY N N 54 115.900 115.900 113.099 2.801 17719
7124 1 20 . 1 1 35 35 GLY C C 54 174.500 174.500 174.894 -0.394 17719
7125 1 20 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.854 0.846 17719
7126 1 20 . 1 1 35 35 GLY H H 54 9.060 9.060 8.900 0.160 17719
7127 1 20 . 1 1 36 36 SER N N 55 113.400 113.400 115.635 -2.235 17719
7128 1 20 . 1 1 36 36 SER HA H 55 3.760 3.760 3.932 -0.172 17719
7129 1 20 . 1 1 36 36 SER C C 55 173.300 173.300 174.944 -1.644 17719
7130 1 20 . 1 1 36 36 SER CA C 55 60.400 60.400 60.798 -0.398 17719
7131 1 20 . 1 1 36 36 SER CB C 55 62.300 62.300 63.184 -0.885 17719
7132 1 20 . 1 1 36 36 SER H H 55 9.270 9.270 8.643 0.627 17719
7133 1 20 . 1 1 37 37 ASP N N 56 121.100 121.100 120.884 0.216 17719
7134 1 20 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.625 -0.285 17719
7135 1 20 . 1 1 37 37 ASP C C 56 175.600 175.600 175.573 0.027 17719
7136 1 20 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.707 -0.607 17719
7137 1 20 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.562 -0.963 17719
7138 1 20 . 1 1 37 37 ASP H H 56 9.150 9.150 8.107 1.043 17719
7139 1 20 . 1 1 38 38 TYR N N 57 116.100 116.100 114.515 1.585 17719
7140 1 20 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.177 -0.167 17719
7141 1 20 . 1 1 38 38 TYR C C 57 174.700 174.700 174.419 0.281 17719
7142 1 20 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.070 1.930 17719
7143 1 20 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.384 -1.084 17719
7144 1 20 . 1 1 38 38 TYR H H 57 8.630 8.630 7.507 1.123 17719
7145 1 20 . 1 1 39 39 ILE N N 58 120.700 120.700 120.787 -0.087 17719
7146 1 20 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.289 -0.279 17719
7147 1 20 . 1 1 39 39 ILE C C 58 174.900 174.900 175.350 -0.450 17719
7148 1 20 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.016 0.284 17719
7149 1 20 . 1 1 39 39 ILE CB C 58 37.600 37.600 39.877 -2.277 17719
7150 1 20 . 1 1 39 39 ILE H H 58 7.480 7.480 7.416 0.064 17719
7151 1 20 . 1 1 40 40 THR N N 59 123.700 123.700 123.013 0.687 17719
7152 1 20 . 1 1 40 40 THR HA H 59 4.670 4.670 4.753 -0.083 17719
7153 1 20 . 1 1 40 40 THR C C 59 174.800 174.800 173.496 1.304 17719
7154 1 20 . 1 1 40 40 THR CA C 59 62.700 62.700 62.512 0.188 17719
7155 1 20 . 1 1 40 40 THR CB C 59 68.900 68.900 69.724 -0.824 17719
7156 1 20 . 1 1 40 40 THR H H 59 8.090 8.090 8.323 -0.233 17719
7157 1 20 . 1 1 41 41 TYR N N 60 129.700 129.700 125.374 4.326 17719
7158 1 20 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.656 -0.246 17719
7159 1 20 . 1 1 41 41 TYR C C 60 177.200 177.200 176.601 0.599 17719
7160 1 20 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.083 1.117 17719
7161 1 20 . 1 1 41 41 TYR CB C 60 41.800 41.800 41.081 0.719 17719
7162 1 20 . 1 1 41 41 TYR H H 60 9.550 9.550 9.152 0.398 17719
7163 1 20 . 1 1 42 42 GLY N N 61 107.800 107.800 108.251 -0.451 17719
7164 1 20 . 1 1 42 42 GLY C C 61 172.800 172.800 172.590 0.210 17719
7165 1 20 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.584 2.115 17719
7166 1 20 . 1 1 42 42 GLY H H 61 9.310 9.310 8.982 0.328 17719
7167 1 20 . 1 1 43 43 ASN N N 62 104.600 104.600 113.134 -8.534 17719
7168 1 20 . 1 1 43 43 ASN HA H 62 4.950 4.950 4.982 -0.032 17719
7169 1 20 . 1 1 43 43 ASN C C 62 176.700 176.700 175.098 1.602 17719
7170 1 20 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.901 0.599 17719
7171 1 20 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.365 0.535 17719
7172 1 20 . 1 1 43 43 ASN H H 62 7.380 7.380 7.693 -0.313 17719
7173 1 20 . 1 1 44 44 GLU N N 63 118.300 118.300 119.279 -0.979 17719
7174 1 20 . 1 1 44 44 GLU HA H 63 3.890 3.890 3.897 -0.007 17719
7175 1 20 . 1 1 44 44 GLU C C 63 176.100 176.100 177.427 -1.327 17719
7176 1 20 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.532 0.168 17719
7177 1 20 . 1 1 44 44 GLU CB C 63 29.800 29.800 29.094 0.706 17719
7178 1 20 . 1 1 44 44 GLU H H 63 9.310 9.310 8.622 0.688 17719
7179 1 20 . 1 1 45 45 CYS N N 64 121.400 121.400 120.575 0.825 17719
7180 1 20 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.305 0.065 17719
7181 1 20 . 1 1 45 45 CYS C C 64 177.700 177.700 176.776 0.924 17719
7182 1 20 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.880 -1.780 17719
7183 1 20 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.374 10.026 17719
7184 1 20 . 1 1 45 45 CYS H H 64 8.270 8.270 7.698 0.572 17719
7185 1 20 . 1 1 46 46 HIS N N 65 121.000 121.000 119.096 1.904 17719
7186 1 20 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.287 0.093 17719
7187 1 20 . 1 1 46 46 HIS C C 65 177.800 177.800 177.471 0.329 17719
7188 1 20 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.049 0.651 17719
7189 1 20 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.217 0.283 17719
7190 1 20 . 1 1 46 46 HIS H H 65 8.120 8.120 7.701 0.419 17719
7191 1 20 . 1 1 47 47 LEU N N 66 122.300 122.300 121.006 1.294 17719
7192 1 20 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.098 -0.248 17719
7193 1 20 . 1 1 47 47 LEU C C 66 178.300 178.300 178.380 -0.080 17719
7194 1 20 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.533 0.967 17719
7195 1 20 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.360 -0.760 17719
7196 1 20 . 1 1 47 47 LEU H H 66 7.630 7.630 7.781 -0.151 17719
7197 1 20 . 1 1 48 48 CYS N N 67 117.500 117.500 118.128 -0.628 17719
7198 1 20 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.907 0.533 17719
7199 1 20 . 1 1 48 48 CYS C C 67 176.700 176.700 176.767 -0.067 17719
7200 1 20 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.588 -6.388 17719
7201 1 20 . 1 1 48 48 CYS CB C 67 35.100 35.100 24.939 10.161 17719
7202 1 20 . 1 1 48 48 CYS H H 67 8.960 8.960 8.543 0.417 17719
7203 1 20 . 1 1 49 49 THR N N 68 118.000 118.000 117.346 0.654 17719
7204 1 20 . 1 1 49 49 THR HA H 68 3.800 3.800 3.900 -0.100 17719
7205 1 20 . 1 1 49 49 THR C C 68 175.400 175.400 176.745 -1.345 17719
7206 1 20 . 1 1 49 49 THR CA C 68 67.600 67.600 67.505 0.094 17719
7207 1 20 . 1 1 49 49 THR CB C 68 68.800 68.800 68.182 0.618 17719
7208 1 20 . 1 1 49 49 THR H H 68 8.330 8.330 8.262 0.068 17719
7209 1 20 . 1 1 50 50 GLU N N 69 121.300 121.300 120.516 0.784 17719
7210 1 20 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.062 0.198 17719
7211 1 20 . 1 1 50 50 GLU C C 69 180.000 180.000 178.949 1.051 17719
7212 1 20 . 1 1 50 50 GLU CA C 69 58.200 58.200 59.000 -0.800 17719
7213 1 20 . 1 1 50 50 GLU CB C 69 28.600 28.600 28.910 -0.310 17719
7214 1 20 . 1 1 50 50 GLU H H 69 7.070 7.070 7.820 -0.750 17719
7215 1 20 . 1 1 51 51 SER N N 70 117.100 117.100 116.499 0.601 17719
7216 1 20 . 1 1 51 51 SER HA H 70 4.030 4.030 4.323 -0.293 17719
7217 1 20 . 1 1 51 51 SER C C 70 177.800 177.800 176.748 1.052 17719
7218 1 20 . 1 1 51 51 SER CA C 70 62.400 62.400 61.714 0.686 17719
7219 1 20 . 1 1 51 51 SER CB C 70 64.900 64.900 62.975 1.925 17719
7220 1 20 . 1 1 51 51 SER H H 70 9.040 9.040 8.160 0.880 17719
7221 1 20 . 1 1 52 52 LEU N N 71 119.100 119.100 120.898 -1.798 17719
7222 1 20 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.061 0.139 17719
7223 1 20 . 1 1 52 52 LEU C C 71 181.400 181.400 179.364 2.036 17719
7224 1 20 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.615 0.285 17719
7225 1 20 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.783 -0.483 17719
7226 1 20 . 1 1 52 52 LEU H H 71 8.540 8.540 8.452 0.088 17719
7227 1 20 . 1 1 53 53 LYS N N 72 121.700 121.700 120.981 0.719 17719
7228 1 20 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.064 -0.024 17719
7229 1 20 . 1 1 53 53 LYS C C 72 177.600 177.600 177.905 -0.305 17719
7230 1 20 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.098 0.702 17719
7231 1 20 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.609 0.491 17719
7232 1 20 . 1 1 53 53 LYS H H 72 8.380 8.380 8.463 -0.083 17719
7233 1 20 . 1 1 54 54 SER N N 73 111.300 111.300 112.104 -0.804 17719
7234 1 20 . 1 1 54 54 SER HA H 73 4.600 4.600 4.604 -0.004 17719
7235 1 20 . 1 1 54 54 SER C C 73 175.300 175.300 173.124 2.176 17719
7236 1 20 . 1 1 54 54 SER CA C 73 58.300 58.300 58.000 0.300 17719
7237 1 20 . 1 1 54 54 SER CB C 73 64.700 64.700 63.706 0.994 17719
7238 1 20 . 1 1 54 54 SER H H 73 8.150 8.150 7.948 0.202 17719
7239 1 20 . 1 1 55 55 ASN N N 74 120.000 120.000 120.559 -0.559 17719
7240 1 20 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.371 0.139 17719
7241 1 20 . 1 1 55 55 ASN C C 74 175.600 175.600 175.686 -0.086 17719
7242 1 20 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.005 0.495 17719
7243 1 20 . 1 1 55 55 ASN CB C 74 37.100 37.100 37.125 -0.025 17719
7244 1 20 . 1 1 55 55 ASN H H 74 8.070 8.070 7.739 0.331 17719
7245 1 20 . 1 1 56 56 GLY N N 75 103.900 103.900 108.887 -4.987 17719
7246 1 20 . 1 1 56 56 GLY C C 75 174.700 174.700 174.220 0.480 17719
7247 1 20 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.743 -0.743 17719
7248 1 20 . 1 1 56 56 GLY H H 75 8.970 8.970 8.759 0.211 17719
7249 1 20 . 1 1 57 57 ARG N N 76 122.200 122.200 120.140 2.060 17719
7250 1 20 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.090 -0.050 17719
7251 1 20 . 1 1 57 57 ARG C C 76 177.200 177.200 176.020 1.180 17719
7252 1 20 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.857 0.343 17719
7253 1 20 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.789 -0.389 17719
7254 1 20 . 1 1 57 57 ARG H H 76 7.600 7.600 7.478 0.122 17719
7255 1 20 . 1 1 58 58 VAL N N 77 117.000 117.000 119.024 -2.024 17719
7256 1 20 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.699 -0.989 17719
7257 1 20 . 1 1 58 58 VAL C C 77 174.500 174.500 174.220 0.280 17719
7258 1 20 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.817 2.383 17719
7259 1 20 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.285 0.515 17719
7260 1 20 . 1 1 58 58 VAL H H 77 7.340 7.340 7.973 -0.633 17719
7261 1 20 . 1 1 59 59 GLN N N 78 125.000 125.000 128.004 -3.004 17719
7262 1 20 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.760 -0.280 17719
7263 1 20 . 1 1 59 59 GLN C C 78 174.900 174.900 173.944 0.956 17719
7264 1 20 . 1 1 59 59 GLN CA C 78 52.800 52.800 52.966 -0.166 17719
7265 1 20 . 1 1 59 59 GLN CB C 78 32.600 32.600 33.045 -0.445 17719
7266 1 20 . 1 1 59 59 GLN H H 78 8.510 8.510 8.990 -0.480 17719
7267 1 20 . 1 1 60 60 PHE N N 79 121.400 121.400 123.397 -1.997 17719
7268 1 20 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.392 -0.442 17719
7269 1 20 . 1 1 60 60 PHE C C 79 173.900 173.900 175.003 -1.103 17719
7270 1 20 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.380 0.920 17719
7271 1 20 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.207 0.693 17719
7272 1 20 . 1 1 60 60 PHE H H 79 9.050 9.050 8.716 0.334 17719
7273 1 20 . 1 1 61 61 LEU N N 80 128.900 128.900 129.150 -0.250 17719
7274 1 20 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.368 0.152 17719
7275 1 20 . 1 1 61 61 LEU C C 80 175.700 175.700 174.906 0.794 17719
7276 1 20 . 1 1 61 61 LEU CA C 80 56.000 56.000 56.011 -0.012 17719
7277 1 20 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.663 0.737 17719
7278 1 20 . 1 1 61 61 LEU H H 80 8.270 8.270 8.502 -0.232 17719
7279 1 20 . 1 1 62 62 HIS N N 81 107.500 107.500 110.345 -2.845 17719
7280 1 20 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.536 -0.166 17719
7281 1 20 . 1 1 62 62 HIS C C 81 172.000 172.000 172.665 -0.665 17719
7282 1 20 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.673 1.427 17719
7283 1 20 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.278 -1.578 17719
7284 1 20 . 1 1 62 62 HIS H H 81 6.860 6.860 6.896 -0.036 17719
7285 1 20 . 1 1 63 63 ASP N N 82 120.900 120.900 119.705 1.195 17719
7286 1 20 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.288 0.612 17719
7287 1 20 . 1 1 63 63 ASP C C 82 178.500 178.500 176.177 2.323 17719
7288 1 20 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.497 1.103 17719
7289 1 20 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.809 0.591 17719
7290 1 20 . 1 1 63 63 ASP H H 82 9.330 9.330 8.653 0.677 17719
7291 1 20 . 1 1 64 64 GLY N N 83 114.500 114.500 108.910 5.590 17719
7292 1 20 . 1 1 64 64 GLY C C 83 170.400 170.400 173.537 -3.137 17719
7293 1 20 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.565 0.335 17719
7294 1 20 . 1 1 64 64 GLY H H 83 8.330 8.330 8.599 -0.269 17719
7295 1 20 . 1 1 65 65 SER N N 84 107.400 107.400 116.114 -8.714 17719
7296 1 20 . 1 1 65 65 SER HA H 84 4.140 4.140 4.337 -0.197 17719
7297 1 20 . 1 1 65 65 SER C C 84 176.400 176.400 175.442 0.958 17719
7298 1 20 . 1 1 65 65 SER CA C 84 58.300 58.300 59.206 -0.906 17719
7299 1 20 . 1 1 65 65 SER CB C 84 63.900 63.900 63.837 0.063 17719
7300 1 20 . 1 1 65 65 SER H H 84 7.870 7.870 8.065 -0.195 17719
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 59 2.774 0.431 2.764 17719
2 1 1 "Average Difference" HA 68 0.293 0.028 0.294 17719
3 1 1 "Average Difference" C 63 1.088 -0.195 1.079 17719
4 1 1 "Average Difference" CA 64 1.561 -0.008 1.573 17719
5 1 1 "Average Difference" CB 60 2.702 -0.585 2.660 17719
6 1 1 "Average Difference" HN 59 0.464 -0.066 0.463 17719
7 1 2 "Average Difference" N 59 2.763 0.411 2.755 17719
8 1 2 "Average Difference" HA 68 0.260 -0.019 0.262 17719
9 1 2 "Average Difference" C 63 0.993 -0.108 0.996 17719
10 1 2 "Average Difference" CA 64 1.541 0.169 1.544 17719
11 1 2 "Average Difference" CB 60 2.747 -0.773 2.658 17719
12 1 2 "Average Difference" HN 59 0.420 -0.113 0.408 17719
13 1 3 "Average Difference" N 59 2.895 0.003 2.920 17719
14 1 3 "Average Difference" HA 68 0.280 -0.013 0.282 17719
15 1 3 "Average Difference" C 63 1.038 -0.174 1.032 17719
16 1 3 "Average Difference" CA 64 1.546 0.096 1.555 17719
17 1 3 "Average Difference" CB 60 2.681 -0.739 2.599 17719
18 1 3 "Average Difference" HN 59 0.497 -0.120 0.487 17719
19 1 4 "Average Difference" N 59 2.681 0.233 2.694 17719
20 1 4 "Average Difference" HA 68 0.304 -0.010 0.306 17719
21 1 4 "Average Difference" C 63 1.107 -0.173 1.102 17719
22 1 4 "Average Difference" CA 64 1.576 0.103 1.585 17719
23 1 4 "Average Difference" CB 60 2.757 -0.747 2.676 17719
24 1 4 "Average Difference" HN 59 0.484 -0.082 0.481 17719
25 1 5 "Average Difference" N 59 2.784 0.303 2.791 17719
26 1 5 "Average Difference" HA 68 0.259 0.017 0.261 17719
27 1 5 "Average Difference" C 63 1.007 -0.156 1.003 17719
28 1 5 "Average Difference" CA 64 1.569 0.095 1.579 17719
29 1 5 "Average Difference" CB 60 2.665 -0.690 2.595 17719
30 1 5 "Average Difference" HN 59 0.451 -0.108 0.442 17719
31 1 6 "Average Difference" N 59 2.809 0.088 2.832 17719
32 1 6 "Average Difference" HA 68 0.282 0.001 0.284 17719
33 1 6 "Average Difference" C 63 1.055 -0.144 1.053 17719
34 1 6 "Average Difference" CA 64 1.628 0.145 1.635 17719
35 1 6 "Average Difference" CB 60 2.738 -0.601 2.694 17719
36 1 6 "Average Difference" HN 59 0.424 -0.149 0.401 17719
37 1 7 "Average Difference" N 59 2.766 0.487 2.746 17719
38 1 7 "Average Difference" HA 68 0.282 0.004 0.284 17719
39 1 7 "Average Difference" C 63 1.036 -0.152 1.033 17719
40 1 7 "Average Difference" CA 64 1.602 0.163 1.607 17719
41 1 7 "Average Difference" CB 60 2.765 -0.737 2.688 17719
42 1 7 "Average Difference" HN 59 0.412 -0.110 0.401 17719
43 1 8 "Average Difference" N 59 3.031 0.415 3.028 17719
44 1 8 "Average Difference" HA 68 0.296 -0.011 0.298 17719
45 1 8 "Average Difference" C 63 1.086 -0.146 1.085 17719
46 1 8 "Average Difference" CA 64 1.614 0.070 1.625 17719
47 1 8 "Average Difference" CB 60 2.704 -0.687 2.637 17719
48 1 8 "Average Difference" HN 59 0.471 -0.158 0.448 17719
49 1 9 "Average Difference" N 59 2.830 0.247 2.844 17719
50 1 9 "Average Difference" HA 68 0.273 0.010 0.275 17719
51 1 9 "Average Difference" C 63 1.099 -0.125 1.100 17719
52 1 9 "Average Difference" CA 64 1.634 0.144 1.641 17719
53 1 9 "Average Difference" CB 60 2.741 -0.774 2.652 17719
54 1 9 "Average Difference" HN 59 0.449 -0.102 0.441 17719
55 1 10 "Average Difference" N 59 2.465 0.342 2.462 17719
56 1 10 "Average Difference" HA 68 0.272 0.034 0.271 17719
57 1 10 "Average Difference" C 63 1.084 -0.155 1.081 17719
58 1 10 "Average Difference" CA 64 1.512 -0.012 1.524 17719
59 1 10 "Average Difference" CB 60 2.677 -0.692 2.608 17719
60 1 10 "Average Difference" HN 59 0.488 -0.142 0.471 17719
61 1 11 "Average Difference" N 59 2.674 0.172 2.691 17719
62 1 11 "Average Difference" HA 68 0.274 0.017 0.275 17719
63 1 11 "Average Difference" C 63 1.087 -0.148 1.086 17719
64 1 11 "Average Difference" CA 64 1.593 0.085 1.603 17719
65 1 11 "Average Difference" CB 60 2.722 -0.749 2.639 17719
66 1 11 "Average Difference" HN 59 0.474 -0.048 0.476 17719
67 1 12 "Average Difference" N 59 2.645 0.257 2.655 17719
68 1 12 "Average Difference" HA 68 0.281 -0.015 0.283 17719
69 1 12 "Average Difference" C 63 0.989 -0.184 0.980 17719
70 1 12 "Average Difference" CA 64 1.534 0.181 1.536 17719
71 1 12 "Average Difference" CB 60 2.695 -0.718 2.620 17719
72 1 12 "Average Difference" HN 59 0.480 -0.115 0.470 17719
73 1 13 "Average Difference" N 59 2.849 0.316 2.856 17719
74 1 13 "Average Difference" HA 68 0.315 -0.035 0.315 17719
75 1 13 "Average Difference" C 63 1.012 -0.118 1.013 17719
76 1 13 "Average Difference" CA 64 1.597 0.119 1.605 17719
77 1 13 "Average Difference" CB 60 2.753 -0.770 2.665 17719
78 1 13 "Average Difference" HN 59 0.529 -0.123 0.518 17719
79 1 14 "Average Difference" N 59 2.755 0.546 2.724 17719
80 1 14 "Average Difference" HA 68 0.269 -0.029 0.270 17719
81 1 14 "Average Difference" C 63 1.056 -0.104 1.059 17719
82 1 14 "Average Difference" CA 64 1.593 0.151 1.599 17719
83 1 14 "Average Difference" CB 60 2.696 -0.769 2.606 17719
84 1 14 "Average Difference" HN 59 0.475 -0.128 0.462 17719
85 1 15 "Average Difference" N 59 2.796 0.130 2.817 17719
86 1 15 "Average Difference" HA 68 0.263 -0.011 0.265 17719
87 1 15 "Average Difference" C 63 1.003 -0.133 1.002 17719
88 1 15 "Average Difference" CA 64 1.656 0.152 1.662 17719
89 1 15 "Average Difference" CB 60 2.689 -0.755 2.603 17719
90 1 15 "Average Difference" HN 59 0.467 -0.149 0.447 17719
91 1 16 "Average Difference" N 59 2.715 0.294 2.722 17719
92 1 16 "Average Difference" HA 68 0.298 0.012 0.299 17719
93 1 16 "Average Difference" C 63 1.092 -0.185 1.085 17719
94 1 16 "Average Difference" CA 64 1.539 0.021 1.551 17719
95 1 16 "Average Difference" CB 60 2.709 -0.726 2.632 17719
96 1 16 "Average Difference" HN 59 0.455 -0.106 0.446 17719
97 1 17 "Average Difference" N 59 2.967 0.245 2.982 17719
98 1 17 "Average Difference" HA 68 0.299 -0.004 0.302 17719
99 1 17 "Average Difference" C 63 1.062 -0.160 1.059 17719
100 1 17 "Average Difference" CA 64 1.549 0.061 1.560 17719
101 1 17 "Average Difference" CB 60 2.643 -0.586 2.599 17719
102 1 17 "Average Difference" HN 59 0.479 -0.093 0.474 17719
103 1 18 "Average Difference" N 59 2.781 0.182 2.799 17719
104 1 18 "Average Difference" HA 68 0.261 0.016 0.263 17719
105 1 18 "Average Difference" C 63 1.056 -0.140 1.055 17719
106 1 18 "Average Difference" CA 64 1.576 0.034 1.588 17719
107 1 18 "Average Difference" CB 60 2.632 -0.592 2.586 17719
108 1 18 "Average Difference" HN 59 0.470 -0.064 0.469 17719
109 1 19 "Average Difference" N 59 2.759 0.230 2.773 17719
110 1 19 "Average Difference" HA 68 0.288 0.039 0.287 17719
111 1 19 "Average Difference" C 63 1.093 -0.118 1.095 17719
112 1 19 "Average Difference" CA 64 1.602 0.059 1.613 17719
113 1 19 "Average Difference" CB 60 2.683 -0.660 2.622 17719
114 1 19 "Average Difference" HN 59 0.481 -0.088 0.477 17719
115 1 20 "Average Difference" N 59 3.117 0.072 3.143 17719
116 1 20 "Average Difference" HA 68 0.303 -0.023 0.305 17719
117 1 20 "Average Difference" C 63 1.045 -0.174 1.039 17719
118 1 20 "Average Difference" CA 64 1.620 0.134 1.628 17719
119 1 20 "Average Difference" CB 60 2.715 -0.637 2.661 17719
120 1 20 "Average Difference" HN 59 0.456 -0.140 0.438 17719
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 17719
_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 GLU N N 21 121.800 121.800 123.437 -1.637 17719
2 1 . 1 1 2 2 GLU HA H 21 4.390 4.390 4.544 -0.154 17719
3 1 . 1 1 2 2 GLU C C 21 176.100 176.100 175.928 0.171 17719
4 1 . 1 1 2 2 GLU CA C 21 56.200 56.200 56.361 -0.161 17719
5 1 . 1 1 2 2 GLU CB C 21 30.300 30.300 29.942 0.358 17719
6 1 . 1 1 2 2 GLU H H 21 8.860 8.860 8.578 0.282 17719
7 1 . 1 1 3 3 ALA N N 22 126.000 126.000 124.256 1.744 17719
8 1 . 1 1 3 3 ALA HA H 22 4.270 4.270 4.435 -0.165 17719
9 1 . 1 1 3 3 ALA C C 22 177.700 177.700 176.795 0.905 17719
10 1 . 1 1 3 3 ALA CA C 22 52.600 52.600 52.393 0.207 17719
11 1 . 1 1 3 3 ALA CB C 22 19.100 19.100 19.273 -0.173 17719
12 1 . 1 1 3 3 ALA H H 22 8.550 8.550 8.287 0.263 17719
13 1 . 1 1 4 4 ALA N N 23 123.600 123.600 122.626 0.974 17719
14 1 . 1 1 4 4 ALA HA H 23 4.310 4.310 4.362 -0.052 17719
15 1 . 1 1 4 4 ALA C C 23 177.900 177.900 176.973 0.927 17719
16 1 . 1 1 4 4 ALA CA C 23 52.600 52.600 52.408 0.192 17719
17 1 . 1 1 4 4 ALA CB C 23 19.100 19.100 19.026 0.074 17719
18 1 . 1 1 4 4 ALA H H 23 8.400 8.400 8.190 0.210 17719
19 1 . 1 1 5 5 SER N N 24 115.100 115.100 115.738 -0.638 17719
20 1 . 1 1 5 5 SER HA H 24 4.440 4.440 4.502 -0.062 17719
21 1 . 1 1 5 5 SER C C 24 174.500 174.500 174.267 0.233 17719
22 1 . 1 1 5 5 SER CA C 24 58.200 58.200 58.419 -0.219 17719
23 1 . 1 1 5 5 SER CB C 24 63.800 63.800 63.563 0.237 17719
24 1 . 1 1 5 5 SER H H 24 8.300 8.300 8.302 -0.002 17719
25 1 . 1 1 6 6 LEU N N 25 124.200 124.200 122.753 1.447 17719
26 1 . 1 1 6 6 LEU HA H 25 4.430 4.430 4.399 0.031 17719
27 1 . 1 1 6 6 LEU C C 25 177.300 177.300 176.457 0.843 17719
28 1 . 1 1 6 6 LEU CA C 25 55.100 55.100 55.364 -0.264 17719
29 1 . 1 1 6 6 LEU CB C 25 42.400 42.400 41.973 0.427 17719
30 1 . 1 1 6 6 LEU H H 25 8.320 8.320 8.150 0.170 17719
31 1 . 1 1 7 7 SER N N 26 118.100 118.100 117.556 0.544 17719
32 1 . 1 1 7 7 SER HA H 26 4.780 4.780 4.796 -0.016 17719
33 1 . 1 1 7 7 SER C C 26 172.500 172.500 172.738 -0.238 17719
34 1 . 1 1 7 7 SER CA C 26 56.400 56.400 56.342 0.058 17719
35 1 . 1 1 7 7 SER CB C 26 63.300 63.300 64.079 -0.780 17719
36 1 . 1 1 7 7 SER H H 26 8.330 8.330 8.159 0.171 17719
37 1 . 1 1 8 8 PRO HA H 27 4.470 4.470 4.529 -0.059 17719
38 1 . 1 1 8 8 PRO C C 27 176.600 176.600 175.904 0.696 17719
39 1 . 1 1 8 8 PRO CA C 27 63.000 63.000 62.713 0.287 17719
40 1 . 1 1 8 8 PRO CB C 27 32.400 32.400 31.499 0.901 17719
41 1 . 1 1 9 9 LYS N N 28 122.600 122.600 123.591 -0.991 17719
42 1 . 1 1 9 9 LYS HA H 28 4.220 4.220 4.338 -0.119 17719
43 1 . 1 1 9 9 LYS C C 28 175.600 175.600 175.662 -0.062 17719
44 1 . 1 1 9 9 LYS CA C 28 56.500 56.500 56.106 0.394 17719
45 1 . 1 1 9 9 LYS CB C 28 33.100 33.100 33.201 -0.101 17719
46 1 . 1 1 9 9 LYS H H 28 8.410 8.410 8.205 0.205 17719
47 1 . 1 1 10 10 LYS N N 29 123.700 123.700 122.233 1.467 17719
48 1 . 1 1 10 10 LYS HA H 29 4.320 4.320 4.229 0.091 17719
49 1 . 1 1 10 10 LYS C C 29 175.800 175.800 174.984 0.816 17719
50 1 . 1 1 10 10 LYS CA C 29 55.300 55.300 54.798 0.502 17719
51 1 . 1 1 10 10 LYS CB C 29 33.900 33.900 34.110 -0.210 17719
52 1 . 1 1 10 10 LYS H H 29 8.290 8.290 8.125 0.165 17719
53 1 . 1 1 11 11 VAL N N 30 122.800 122.800 121.087 1.713 17719
54 1 . 1 1 11 11 VAL HA H 30 3.830 3.830 3.871 -0.041 17719
55 1 . 1 1 11 11 VAL C C 30 174.400 174.400 175.110 -0.710 17719
56 1 . 1 1 11 11 VAL CA C 30 62.200 62.200 61.781 0.419 17719
57 1 . 1 1 11 11 VAL CB C 30 33.400 33.400 33.076 0.324 17719
58 1 . 1 1 11 11 VAL H H 30 8.010 8.010 8.082 -0.072 17719
59 1 . 1 1 12 12 ASP N N 31 126.200 126.200 126.524 -0.324 17719
60 1 . 1 1 12 12 ASP HA H 31 4.820 4.820 4.557 0.263 17719
61 1 . 1 1 12 12 ASP C C 31 176.800 176.800 175.573 1.227 17719
62 1 . 1 1 12 12 ASP CA C 31 52.200 52.200 54.558 -2.358 17719
63 1 . 1 1 12 12 ASP CB C 31 41.000 41.000 40.289 0.711 17719
64 1 . 1 1 12 12 ASP H H 31 8.580 8.580 8.498 0.082 17719
65 1 . 1 1 13 13 CYS N N 32 121.600 121.600 124.575 -2.975 17719
66 1 . 1 1 13 13 CYS HA H 32 5.050 5.050 4.745 0.305 17719
67 1 . 1 1 13 13 CYS C C 32 176.800 176.800 175.899 0.901 17719
68 1 . 1 1 13 13 CYS CA C 32 53.400 53.400 58.356 -4.956 17719
69 1 . 1 1 13 13 CYS CB C 32 33.400 33.400 27.664 5.736 17719
70 1 . 1 1 13 13 CYS H H 32 9.070 9.070 8.447 0.623 17719
71 1 . 1 1 14 14 SER N N 33 118.000 118.000 118.072 -0.072 17719
72 1 . 1 1 14 14 SER HA H 33 4.030 4.030 4.149 -0.119 17719
73 1 . 1 1 14 14 SER C C 33 177.100 177.100 176.233 0.867 17719
74 1 . 1 1 14 14 SER CA C 33 62.400 62.400 61.791 0.609 17719
75 1 . 1 1 14 14 SER CB C 33 62.600 62.600 62.839 -0.239 17719
76 1 . 1 1 14 14 SER H H 33 8.760 8.760 8.200 0.560 17719
77 1 . 1 1 15 15 ILE N N 34 117.700 117.700 116.766 0.934 17719
78 1 . 1 1 15 15 ILE HA H 34 3.990 3.990 3.770 0.220 17719
79 1 . 1 1 15 15 ILE C C 34 176.600 176.600 176.515 0.085 17719
80 1 . 1 1 15 15 ILE CA C 34 63.500 63.500 63.936 -0.436 17719
81 1 . 1 1 15 15 ILE CB C 34 37.400 37.400 37.528 -0.128 17719
82 1 . 1 1 15 15 ILE H H 34 7.200 7.200 8.380 -1.180 17719
83 1 . 1 1 16 16 TYR N N 35 118.000 118.000 118.203 -0.203 17719
84 1 . 1 1 16 16 TYR HA H 35 4.610 4.610 4.730 -0.120 17719
85 1 . 1 1 16 16 TYR C C 35 176.300 176.300 177.722 -1.422 17719
86 1 . 1 1 16 16 TYR CA C 35 58.800 58.800 59.591 -0.791 17719
87 1 . 1 1 16 16 TYR CB C 35 37.600 37.600 38.403 -0.803 17719
88 1 . 1 1 16 16 TYR H H 35 7.470 7.470 7.514 -0.044 17719
89 1 . 1 1 17 17 LYS N N 36 119.200 119.200 119.146 0.054 17719
90 1 . 1 1 17 17 LYS HA H 36 4.230 4.230 4.151 0.079 17719
91 1 . 1 1 17 17 LYS C C 36 176.300 176.300 177.112 -0.812 17719
92 1 . 1 1 17 17 LYS CA C 36 58.700 58.700 58.325 0.375 17719
93 1 . 1 1 17 17 LYS CB C 36 32.300 32.300 31.961 0.339 17719
94 1 . 1 1 17 17 LYS H H 36 7.590 7.590 7.726 -0.136 17719
95 1 . 1 1 18 18 LYS N N 37 115.100 115.100 116.286 -1.186 17719
96 1 . 1 1 18 18 LYS HA H 37 4.150 4.150 4.059 0.091 17719
97 1 . 1 1 18 18 LYS C C 37 175.500 175.500 176.551 -1.051 17719
98 1 . 1 1 18 18 LYS CA C 37 56.700 56.700 56.976 -0.276 17719
99 1 . 1 1 18 18 LYS CB C 37 31.700 31.700 32.199 -0.499 17719
100 1 . 1 1 18 18 LYS H H 37 7.410 7.410 7.546 -0.136 17719
101 1 . 1 1 19 19 TYR N N 38 120.200 120.200 119.735 0.465 17719
102 1 . 1 1 19 19 TYR HA H 38 4.810 4.810 4.765 0.045 17719
103 1 . 1 1 19 19 TYR C C 38 173.600 173.600 173.723 -0.123 17719
104 1 . 1 1 19 19 TYR CA C 38 56.500 56.500 54.841 1.659 17719
105 1 . 1 1 19 19 TYR CB C 38 38.200 38.200 38.018 0.182 17719
106 1 . 1 1 19 19 TYR H H 38 7.390 7.390 7.603 -0.213 17719
107 1 . 1 1 20 20 PRO HA H 39 4.580 4.580 4.457 0.123 17719
108 1 . 1 1 20 20 PRO C C 39 179.000 179.000 177.624 1.376 17719
109 1 . 1 1 20 20 PRO CA C 39 63.100 63.100 62.869 0.231 17719
110 1 . 1 1 20 20 PRO CB C 39 31.700 31.700 32.645 -0.945 17719
111 1 . 1 1 21 21 VAL N N 40 123.200 123.200 121.461 1.739 17719
112 1 . 1 1 21 21 VAL HA H 40 4.020 4.020 3.777 0.243 17719
113 1 . 1 1 21 21 VAL C C 40 176.400 176.400 177.022 -0.622 17719
114 1 . 1 1 21 21 VAL CA C 40 64.700 64.700 65.114 -0.414 17719
115 1 . 1 1 21 21 VAL CB C 40 32.000 32.000 31.537 0.463 17719
116 1 . 1 1 21 21 VAL H H 40 8.400 8.400 8.453 -0.053 17719
117 1 . 1 1 22 22 VAL N N 41 110.600 110.600 114.069 -3.469 17719
118 1 . 1 1 22 22 VAL HA H 41 4.210 4.210 4.103 0.107 17719
119 1 . 1 1 22 22 VAL C C 41 175.600 175.600 175.675 -0.075 17719
120 1 . 1 1 22 22 VAL CA C 41 61.500 61.500 62.902 -1.402 17719
121 1 . 1 1 22 22 VAL CB C 41 31.800 31.800 31.755 0.045 17719
122 1 . 1 1 22 22 VAL H H 41 7.140 7.140 7.689 -0.549 17719
123 1 . 1 1 23 23 ALA N N 42 126.600 126.600 124.022 2.578 17719
124 1 . 1 1 23 23 ALA HA H 42 4.490 4.490 4.604 -0.114 17719
125 1 . 1 1 23 23 ALA C C 42 175.700 175.700 175.841 -0.141 17719
126 1 . 1 1 23 23 ALA CA C 42 51.400 51.400 51.121 0.279 17719
127 1 . 1 1 23 23 ALA CB C 42 19.100 19.100 19.474 -0.374 17719
128 1 . 1 1 23 23 ALA H H 42 8.280 8.280 7.577 0.703 17719
129 1 . 1 1 24 24 ILE N N 43 123.300 123.300 124.301 -1.001 17719
130 1 . 1 1 24 24 ILE HA H 43 3.840 3.840 4.294 -0.454 17719
131 1 . 1 1 24 24 ILE C C 43 174.900 174.900 173.595 1.305 17719
132 1 . 1 1 24 24 ILE CA C 43 59.500 59.500 57.818 1.682 17719
133 1 . 1 1 24 24 ILE CB C 43 39.000 39.000 40.146 -1.146 17719
134 1 . 1 1 24 24 ILE H H 43 7.970 7.970 7.999 -0.029 17719
135 1 . 1 1 25 25 PRO HA H 44 4.480 4.480 4.344 0.136 17719
136 1 . 1 1 25 25 PRO C C 44 175.900 175.900 175.596 0.304 17719
137 1 . 1 1 25 25 PRO CA C 44 61.800 61.800 62.511 -0.711 17719
138 1 . 1 1 25 25 PRO CB C 44 30.400 30.400 31.685 -1.285 17719
139 1 . 1 1 26 26 CYS N N 45 120.500 120.500 121.902 -1.402 17719
140 1 . 1 1 26 26 CYS HA H 45 5.390 5.390 4.604 0.786 17719
141 1 . 1 1 26 26 CYS CA C 45 49.900 49.900 56.315 -6.415 17719
142 1 . 1 1 26 26 CYS CB C 45 35.400 35.400 28.293 7.107 17719
143 1 . 1 1 26 26 CYS H H 45 8.290 8.290 8.289 0.001 17719
144 1 . 1 1 27 27 PRO HA H 46 4.650 4.650 4.588 0.063 17719
145 1 . 1 1 27 27 PRO C C 46 177.000 177.000 176.485 0.515 17719
146 1 . 1 1 27 27 PRO CA C 46 62.400 62.400 62.716 -0.316 17719
147 1 . 1 1 27 27 PRO CB C 46 32.900 32.900 32.459 0.441 17719
148 1 . 1 1 28 28 ILE N N 47 116.600 116.600 113.668 2.932 17719
149 1 . 1 1 28 28 ILE HA H 47 4.360 4.360 4.259 0.101 17719
150 1 . 1 1 28 28 ILE C C 47 176.200 176.200 175.839 0.361 17719
151 1 . 1 1 28 28 ILE CA C 47 61.300 61.300 61.663 -0.363 17719
152 1 . 1 1 28 28 ILE CB C 47 38.000 38.000 37.705 0.295 17719
153 1 . 1 1 28 28 ILE H H 47 8.590 8.590 8.149 0.442 17719
154 1 . 1 1 29 29 THR N N 48 114.700 114.700 117.744 -3.044 17719
155 1 . 1 1 29 29 THR HA H 48 3.890 3.890 4.317 -0.427 17719
156 1 . 1 1 29 29 THR C C 48 173.200 173.200 173.420 -0.220 17719
157 1 . 1 1 29 29 THR CA C 48 62.600 62.600 62.659 -0.059 17719
158 1 . 1 1 29 29 THR CB C 48 70.000 70.000 69.239 0.761 17719
159 1 . 1 1 29 29 THR H H 48 7.130 7.130 7.583 -0.453 17719
160 1 . 1 1 30 30 TYR N N 49 129.100 129.100 128.137 0.963 17719
161 1 . 1 1 30 30 TYR HA H 49 4.960 4.960 4.766 0.194 17719
162 1 . 1 1 30 30 TYR C C 49 173.900 173.900 174.663 -0.763 17719
163 1 . 1 1 30 30 TYR CA C 49 57.600 57.600 57.769 -0.169 17719
164 1 . 1 1 30 30 TYR CB C 49 38.000 38.000 39.366 -1.366 17719
165 1 . 1 1 30 30 TYR H H 49 9.020 9.020 8.602 0.418 17719
166 1 . 1 1 31 31 LEU N N 50 131.700 131.700 130.163 1.537 17719
167 1 . 1 1 31 31 LEU HA H 50 4.560 4.560 4.819 -0.259 17719
168 1 . 1 1 31 31 LEU C C 50 172.200 172.200 174.440 -2.240 17719
169 1 . 1 1 31 31 LEU CA C 50 52.600 52.600 51.480 1.120 17719
170 1 . 1 1 31 31 LEU CB C 50 42.900 42.900 43.972 -1.072 17719
171 1 . 1 1 31 31 LEU H H 50 8.600 8.600 8.602 -0.002 17719
172 1 . 1 1 32 32 PRO HA H 51 4.440 4.440 4.682 -0.242 17719
173 1 . 1 1 32 32 PRO C C 51 176.800 176.800 176.392 0.408 17719
174 1 . 1 1 32 32 PRO CA C 51 62.700 62.700 62.588 0.112 17719
175 1 . 1 1 32 32 PRO CB C 51 32.900 32.900 31.219 1.681 17719
176 1 . 1 1 33 33 VAL N N 52 110.700 110.700 118.228 -7.528 17719
177 1 . 1 1 33 33 VAL HA H 52 4.720 4.720 4.584 0.136 17719
178 1 . 1 1 33 33 VAL C C 52 172.600 172.600 173.773 -1.173 17719
179 1 . 1 1 33 33 VAL CA C 52 59.600 59.600 59.473 0.127 17719
180 1 . 1 1 33 33 VAL CB C 52 35.700 35.700 35.189 0.511 17719
181 1 . 1 1 33 33 VAL H H 52 8.230 8.230 8.431 -0.201 17719
182 1 . 1 1 34 34 CYS N N 53 122.200 122.200 122.423 -0.223 17719
183 1 . 1 1 34 34 CYS HA H 53 5.090 5.090 5.232 -0.142 17719
184 1 . 1 1 34 34 CYS C C 53 175.600 175.600 174.853 0.747 17719
185 1 . 1 1 34 34 CYS CA C 53 54.500 54.500 56.243 -1.743 17719
186 1 . 1 1 34 34 CYS CB C 53 39.300 39.300 28.642 10.658 17719
187 1 . 1 1 34 34 CYS H H 53 8.550 8.550 8.488 0.062 17719
188 1 . 1 1 35 35 GLY N N 54 115.900 115.900 113.552 2.348 17719
189 1 . 1 1 35 35 GLY C C 54 174.500 174.500 175.127 -0.627 17719
190 1 . 1 1 35 35 GLY CA C 54 44.700 44.700 43.929 0.771 17719
191 1 . 1 1 35 35 GLY H H 54 9.060 9.060 8.989 0.071 17719
192 1 . 1 1 36 36 SER N N 55 113.400 113.400 116.413 -3.013 17719
193 1 . 1 1 36 36 SER HA H 55 3.760 3.760 3.977 -0.217 17719
194 1 . 1 1 36 36 SER C C 55 173.300 173.300 174.694 -1.394 17719
195 1 . 1 1 36 36 SER CA C 55 60.400 60.400 61.111 -0.711 17719
196 1 . 1 1 36 36 SER CB C 55 62.300 62.300 63.093 -0.793 17719
197 1 . 1 1 36 36 SER H H 55 9.270 9.270 8.642 0.628 17719
198 1 . 1 1 37 37 ASP N N 56 121.100 121.100 119.436 1.664 17719
199 1 . 1 1 37 37 ASP HA H 56 4.340 4.340 4.590 -0.250 17719
200 1 . 1 1 37 37 ASP C C 56 175.600 175.600 175.728 -0.128 17719
201 1 . 1 1 37 37 ASP CA C 56 53.100 53.100 53.700 -0.600 17719
202 1 . 1 1 37 37 ASP CB C 56 39.600 39.600 40.830 -1.230 17719
203 1 . 1 1 37 37 ASP H H 56 9.150 9.150 8.038 1.112 17719
204 1 . 1 1 38 38 TYR N N 57 116.100 116.100 113.524 2.576 17719
205 1 . 1 1 38 38 TYR HA H 57 4.010 4.010 4.132 -0.122 17719
206 1 . 1 1 38 38 TYR C C 57 174.700 174.700 174.266 0.434 17719
207 1 . 1 1 38 38 TYR CA C 57 61.000 61.000 59.166 1.834 17719
208 1 . 1 1 38 38 TYR CB C 57 34.300 34.300 35.483 -1.183 17719
209 1 . 1 1 38 38 TYR H H 57 8.630 8.630 7.665 0.965 17719
210 1 . 1 1 39 39 ILE N N 58 120.700 120.700 120.945 -0.245 17719
211 1 . 1 1 39 39 ILE HA H 58 4.010 4.010 4.238 -0.228 17719
212 1 . 1 1 39 39 ILE C C 58 174.900 174.900 175.460 -0.560 17719
213 1 . 1 1 39 39 ILE CA C 58 59.300 59.300 59.267 0.033 17719
214 1 . 1 1 39 39 ILE CB C 58 37.600 37.600 38.927 -1.327 17719
215 1 . 1 1 39 39 ILE H H 58 7.480 7.480 7.445 0.035 17719
216 1 . 1 1 40 40 THR N N 59 123.700 123.700 123.368 0.332 17719
217 1 . 1 1 40 40 THR HA H 59 4.670 4.670 4.714 -0.044 17719
218 1 . 1 1 40 40 THR C C 59 174.800 174.800 173.699 1.101 17719
219 1 . 1 1 40 40 THR CA C 59 62.700 62.700 62.499 0.201 17719
220 1 . 1 1 40 40 THR CB C 59 68.900 68.900 69.323 -0.423 17719
221 1 . 1 1 40 40 THR H H 59 8.090 8.090 8.399 -0.309 17719
222 1 . 1 1 41 41 TYR N N 60 129.700 129.700 126.004 3.696 17719
223 1 . 1 1 41 41 TYR HA H 60 4.410 4.410 4.641 -0.231 17719
224 1 . 1 1 41 41 TYR C C 60 177.200 177.200 176.801 0.399 17719
225 1 . 1 1 41 41 TYR CA C 60 58.200 58.200 57.169 1.031 17719
226 1 . 1 1 41 41 TYR CB C 60 41.800 41.800 40.669 1.131 17719
227 1 . 1 1 41 41 TYR H H 60 9.550 9.550 9.159 0.391 17719
228 1 . 1 1 42 42 GLY N N 61 107.800 107.800 108.534 -0.734 17719
229 1 . 1 1 42 42 GLY C C 61 172.800 172.800 172.593 0.207 17719
230 1 . 1 1 42 42 GLY CA C 61 47.700 47.700 45.682 2.018 17719
231 1 . 1 1 42 42 GLY H H 61 9.310 9.310 8.995 0.315 17719
232 1 . 1 1 43 43 ASN N N 62 104.600 104.600 112.944 -8.344 17719
233 1 . 1 1 43 43 ASN HA H 62 4.950 4.950 5.056 -0.106 17719
234 1 . 1 1 43 43 ASN C C 62 176.700 176.700 175.217 1.483 17719
235 1 . 1 1 43 43 ASN CA C 62 52.500 52.500 51.745 0.755 17719
236 1 . 1 1 43 43 ASN CB C 62 39.900 39.900 39.620 0.280 17719
237 1 . 1 1 43 43 ASN H H 62 7.380 7.380 7.645 -0.265 17719
238 1 . 1 1 44 44 GLU N N 63 118.300 118.300 119.637 -1.337 17719
239 1 . 1 1 44 44 GLU HA H 63 3.890 3.890 4.020 -0.130 17719
240 1 . 1 1 44 44 GLU C C 63 176.100 176.100 177.490 -1.390 17719
241 1 . 1 1 44 44 GLU CA C 63 59.700 59.700 59.613 0.087 17719
242 1 . 1 1 44 44 GLU CB C 63 29.800 29.800 28.883 0.917 17719
243 1 . 1 1 44 44 GLU H H 63 9.310 9.310 8.762 0.548 17719
244 1 . 1 1 45 45 CYS N N 64 121.400 121.400 120.864 0.536 17719
245 1 . 1 1 45 45 CYS HA H 64 3.370 3.370 3.145 0.225 17719
246 1 . 1 1 45 45 CYS C C 64 177.700 177.700 176.394 1.306 17719
247 1 . 1 1 45 45 CYS CA C 64 60.100 60.100 61.868 -1.768 17719
248 1 . 1 1 45 45 CYS CB C 64 35.400 35.400 25.311 10.089 17719
249 1 . 1 1 45 45 CYS H H 64 8.270 8.270 8.053 0.217 17719
250 1 . 1 1 46 46 HIS N N 65 121.000 121.000 118.683 2.317 17719
251 1 . 1 1 46 46 HIS HA H 65 4.380 4.380 4.307 0.073 17719
252 1 . 1 1 46 46 HIS C C 65 177.800 177.800 177.728 0.072 17719
253 1 . 1 1 46 46 HIS CA C 65 59.700 59.700 59.092 0.608 17719
254 1 . 1 1 46 46 HIS CB C 65 29.500 29.500 29.268 0.232 17719
255 1 . 1 1 46 46 HIS H H 65 8.120 8.120 8.065 0.055 17719
256 1 . 1 1 47 47 LEU N N 66 122.300 122.300 121.077 1.223 17719
257 1 . 1 1 47 47 LEU HA H 66 2.850 2.850 3.112 -0.262 17719
258 1 . 1 1 47 47 LEU C C 66 178.300 178.300 178.204 0.096 17719
259 1 . 1 1 47 47 LEU CA C 66 58.500 58.500 57.460 1.040 17719
260 1 . 1 1 47 47 LEU CB C 66 40.600 40.600 41.256 -0.656 17719
261 1 . 1 1 47 47 LEU H H 66 7.630 7.630 7.718 -0.088 17719
262 1 . 1 1 48 48 CYS N N 67 117.500 117.500 118.667 -1.167 17719
263 1 . 1 1 48 48 CYS HA H 67 4.440 4.440 3.951 0.489 17719
264 1 . 1 1 48 48 CYS C C 67 176.700 176.700 176.897 -0.197 17719
265 1 . 1 1 48 48 CYS CA C 67 56.200 56.200 62.194 -5.994 17719
266 1 . 1 1 48 48 CYS CB C 67 35.100 35.100 25.291 9.810 17719
267 1 . 1 1 48 48 CYS H H 67 8.960 8.960 8.464 0.496 17719
268 1 . 1 1 49 49 THR N N 68 118.000 118.000 117.304 0.696 17719
269 1 . 1 1 49 49 THR HA H 68 3.800 3.800 3.884 -0.084 17719
270 1 . 1 1 49 49 THR C C 68 175.400 175.400 176.643 -1.243 17719
271 1 . 1 1 49 49 THR CA C 68 67.600 67.600 67.070 0.530 17719
272 1 . 1 1 49 49 THR CB C 68 68.800 68.800 68.347 0.453 17719
273 1 . 1 1 49 49 THR H H 68 8.330 8.330 8.319 0.011 17719
274 1 . 1 1 50 50 GLU N N 69 121.300 121.300 121.017 0.283 17719
275 1 . 1 1 50 50 GLU HA H 69 4.260 4.260 4.114 0.146 17719
276 1 . 1 1 50 50 GLU C C 69 180.000 180.000 178.842 1.158 17719
277 1 . 1 1 50 50 GLU CA C 69 58.200 58.200 58.877 -0.677 17719
278 1 . 1 1 50 50 GLU CB C 69 28.600 28.600 29.060 -0.460 17719
279 1 . 1 1 50 50 GLU H H 69 7.070 7.070 7.810 -0.740 17719
280 1 . 1 1 51 51 SER N N 70 117.100 117.100 116.558 0.542 17719
281 1 . 1 1 51 51 SER HA H 70 4.030 4.030 4.307 -0.277 17719
282 1 . 1 1 51 51 SER C C 70 177.800 177.800 176.628 1.172 17719
283 1 . 1 1 51 51 SER CA C 70 62.400 62.400 61.857 0.543 17719
284 1 . 1 1 51 51 SER CB C 70 64.900 64.900 62.937 1.963 17719
285 1 . 1 1 51 51 SER H H 70 9.040 9.040 8.097 0.943 17719
286 1 . 1 1 52 52 LEU N N 71 119.100 119.100 121.085 -1.984 17719
287 1 . 1 1 52 52 LEU HA H 71 4.200 4.200 4.032 0.168 17719
288 1 . 1 1 52 52 LEU C C 71 181.400 181.400 179.184 2.216 17719
289 1 . 1 1 52 52 LEU CA C 71 57.900 57.900 57.713 0.187 17719
290 1 . 1 1 52 52 LEU CB C 71 41.300 41.300 41.702 -0.402 17719
291 1 . 1 1 52 52 LEU H H 71 8.540 8.540 8.417 0.123 17719
292 1 . 1 1 53 53 LYS N N 72 121.700 121.700 120.301 1.399 17719
293 1 . 1 1 53 53 LYS HA H 72 4.040 4.040 4.068 -0.028 17719
294 1 . 1 1 53 53 LYS C C 72 177.600 177.600 178.066 -0.466 17719
295 1 . 1 1 53 53 LYS CA C 72 59.800 59.800 59.014 0.786 17719
296 1 . 1 1 53 53 LYS CB C 72 33.100 33.100 32.620 0.480 17719
297 1 . 1 1 53 53 LYS H H 72 8.380 8.380 8.144 0.236 17719
298 1 . 1 1 54 54 SER N N 73 111.300 111.300 112.412 -1.112 17719
299 1 . 1 1 54 54 SER HA H 73 4.600 4.600 4.541 0.059 17719
300 1 . 1 1 54 54 SER C C 73 175.300 175.300 173.809 1.491 17719
301 1 . 1 1 54 54 SER CA C 73 58.300 58.300 58.449 -0.149 17719
302 1 . 1 1 54 54 SER CB C 73 64.700 64.700 63.718 0.982 17719
303 1 . 1 1 54 54 SER H H 73 8.150 8.150 8.029 0.121 17719
304 1 . 1 1 55 55 ASN N N 74 120.000 120.000 119.086 0.914 17719
305 1 . 1 1 55 55 ASN HA H 74 4.510 4.510 4.394 0.116 17719
306 1 . 1 1 55 55 ASN C C 74 175.600 175.600 175.571 0.029 17719
307 1 . 1 1 55 55 ASN CA C 74 54.500 54.500 54.164 0.336 17719
308 1 . 1 1 55 55 ASN CB C 74 37.100 37.100 36.903 0.197 17719
309 1 . 1 1 55 55 ASN H H 74 8.070 8.070 7.787 0.283 17719
310 1 . 1 1 56 56 GLY N N 75 103.900 103.900 106.398 -2.498 17719
311 1 . 1 1 56 56 GLY C C 75 174.700 174.700 174.111 0.589 17719
312 1 . 1 1 56 56 GLY CA C 75 45.000 45.000 45.373 -0.373 17719
313 1 . 1 1 56 56 GLY H H 75 8.970 8.970 8.692 0.278 17719
314 1 . 1 1 57 57 ARG N N 76 122.200 122.200 120.063 2.137 17719
315 1 . 1 1 57 57 ARG HA H 76 4.040 4.040 4.153 -0.113 17719
316 1 . 1 1 57 57 ARG C C 76 177.200 177.200 175.924 1.276 17719
317 1 . 1 1 57 57 ARG CA C 76 59.200 59.200 58.399 0.802 17719
318 1 . 1 1 57 57 ARG CB C 76 30.400 30.400 30.820 -0.419 17719
319 1 . 1 1 57 57 ARG H H 76 7.600 7.600 7.673 -0.073 17719
320 1 . 1 1 58 58 VAL N N 77 117.000 117.000 118.693 -1.693 17719
321 1 . 1 1 58 58 VAL HA H 77 3.710 3.710 4.351 -0.641 17719
322 1 . 1 1 58 58 VAL C C 77 174.500 174.500 174.096 0.404 17719
323 1 . 1 1 58 58 VAL CA C 77 63.200 63.200 60.737 2.463 17719
324 1 . 1 1 58 58 VAL CB C 77 32.800 32.800 32.885 -0.085 17719
325 1 . 1 1 58 58 VAL H H 77 7.340 7.340 7.768 -0.428 17719
326 1 . 1 1 59 59 GLN N N 78 125.000 125.000 127.204 -2.204 17719
327 1 . 1 1 59 59 GLN HA H 78 4.480 4.480 4.696 -0.216 17719
328 1 . 1 1 59 59 GLN C C 78 174.900 174.900 174.425 0.475 17719
329 1 . 1 1 59 59 GLN CA C 78 52.800 52.800 53.135 -0.335 17719
330 1 . 1 1 59 59 GLN CB C 78 32.600 32.600 32.674 -0.074 17719
331 1 . 1 1 59 59 GLN H H 78 8.510 8.510 8.474 0.036 17719
332 1 . 1 1 60 60 PHE N N 79 121.400 121.400 121.543 -0.144 17719
333 1 . 1 1 60 60 PHE HA H 79 3.950 3.950 4.354 -0.404 17719
334 1 . 1 1 60 60 PHE C C 79 173.900 173.900 174.942 -1.042 17719
335 1 . 1 1 60 60 PHE CA C 79 60.300 60.300 59.610 0.690 17719
336 1 . 1 1 60 60 PHE CB C 79 39.900 39.900 39.216 0.684 17719
337 1 . 1 1 60 60 PHE H H 79 9.050 9.050 8.682 0.368 17719
338 1 . 1 1 61 61 LEU N N 80 128.900 128.900 128.796 0.104 17719
339 1 . 1 1 61 61 LEU HA H 80 4.520 4.520 4.283 0.237 17719
340 1 . 1 1 61 61 LEU C C 80 175.700 175.700 175.189 0.511 17719
341 1 . 1 1 61 61 LEU CA C 80 56.000 56.000 55.354 0.646 17719
342 1 . 1 1 61 61 LEU CB C 80 44.400 44.400 43.645 0.755 17719
343 1 . 1 1 61 61 LEU H H 80 8.270 8.270 8.582 -0.312 17719
344 1 . 1 1 62 62 HIS N N 81 107.500 107.500 110.161 -2.661 17719
345 1 . 1 1 62 62 HIS HA H 81 4.370 4.370 4.444 -0.074 17719
346 1 . 1 1 62 62 HIS C C 81 172.000 172.000 172.369 -0.369 17719
347 1 . 1 1 62 62 HIS CA C 81 55.100 55.100 53.795 1.305 17719
348 1 . 1 1 62 62 HIS CB C 81 29.700 29.700 31.331 -1.631 17719
349 1 . 1 1 62 62 HIS H H 81 6.860 6.860 7.016 -0.156 17719
350 1 . 1 1 63 63 ASP N N 82 120.900 120.900 119.721 1.179 17719
351 1 . 1 1 63 63 ASP HA H 82 4.900 4.900 4.412 0.488 17719
352 1 . 1 1 63 63 ASP C C 82 178.500 178.500 176.870 1.630 17719
353 1 . 1 1 63 63 ASP CA C 82 55.600 55.600 54.874 0.726 17719
354 1 . 1 1 63 63 ASP CB C 82 42.400 42.400 41.876 0.524 17719
355 1 . 1 1 63 63 ASP H H 82 9.330 9.330 8.504 0.826 17719
356 1 . 1 1 64 64 GLY N N 83 114.500 114.500 110.732 3.768 17719
357 1 . 1 1 64 64 GLY C C 83 170.400 170.400 173.649 -3.249 17719
358 1 . 1 1 64 64 GLY CA C 83 44.900 44.900 44.451 0.449 17719
359 1 . 1 1 64 64 GLY H H 83 8.330 8.330 8.431 -0.101 17719
360 1 . 1 1 65 65 SER N N 84 107.400 107.400 116.315 -8.915 17719
361 1 . 1 1 65 65 SER HA H 84 4.140 4.140 4.328 -0.188 17719
362 1 . 1 1 65 65 SER C C 84 176.400 176.400 175.393 1.007 17719
363 1 . 1 1 65 65 SER CA C 84 58.300 58.300 59.003 -0.703 17719
364 1 . 1 1 65 65 SER CB C 84 63.900 63.900 63.880 0.020 17719
365 1 . 1 1 65 65 SER H H 84 7.870 7.870 8.243 -0.373 17719
stop_
save_