data_17821
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17821
_Entry.PDB_ID 2LGQ
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 17821
_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 4 4 THR N N 4 117.400 117.400 119.120 -1.720 17821
2 1 1 . 1 1 4 4 THR HA H 4 4.130 4.130 4.103 0.027 17821
3 1 1 . 1 1 4 4 THR C C 4 170.800 170.800 172.125 -1.325 17821
4 1 1 . 1 1 4 4 THR CA C 4 58.800 58.800 60.444 -1.644 17821
5 1 1 . 1 1 4 4 THR CB C 4 67.000 67.000 70.797 -3.797 17821
6 1 1 . 1 1 4 4 THR H H 4 7.980 7.980 7.583 0.397 17821
7 1 1 . 1 1 5 5 MET N N 5 124.400 124.400 120.410 3.990 17821
8 1 1 . 1 1 5 5 MET C C 5 171.200 171.200 174.719 -3.519 17821
9 1 1 . 1 1 5 5 MET CA C 5 50.400 50.400 53.452 -3.052 17821
10 1 1 . 1 1 5 5 MET CB C 5 29.600 29.600 32.368 -2.768 17821
11 1 1 . 1 1 5 5 MET H H 5 8.250 8.250 8.220 0.030 17821
12 1 1 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.215 0.065 17821
13 1 1 . 1 1 6 6 PRO CA C 6 60.500 60.500 64.175 -3.675 17821
14 1 1 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.779 -2.579 17821
15 1 1 . 1 1 7 7 GLY N N 7 109.000 109.000 109.674 -0.674 17821
16 1 1 . 1 1 7 7 GLY C C 7 171.200 171.200 175.063 -3.863 17821
17 1 1 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.470 -3.070 17821
18 1 1 . 1 1 7 7 GLY H H 7 8.360 8.360 8.764 -0.404 17821
19 1 1 . 1 1 8 8 LEU N N 8 121.700 121.700 118.947 2.753 17821
20 1 1 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.802 -0.542 17821
21 1 1 . 1 1 8 8 LEU C C 8 174.600 174.600 175.827 -1.227 17821
22 1 1 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.570 -2.270 17821
23 1 1 . 1 1 8 8 LEU CB C 8 39.400 39.400 42.320 -2.920 17821
24 1 1 . 1 1 8 8 LEU H H 8 7.920 7.920 7.449 0.471 17821
25 1 1 . 1 1 9 9 VAL N N 9 120.900 120.900 114.861 6.039 17821
26 1 1 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.301 -0.321 17821
27 1 1 . 1 1 9 9 VAL C C 9 172.900 172.900 175.902 -3.002 17821
28 1 1 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.520 -1.120 17821
29 1 1 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.742 -4.742 17821
30 1 1 . 1 1 9 9 VAL H H 9 8.050 8.050 7.364 0.686 17821
31 1 1 . 1 1 10 10 ASP N N 10 124.300 124.300 125.319 -1.019 17821
32 1 1 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.591 -0.121 17821
33 1 1 . 1 1 10 10 ASP C C 10 173.100 173.100 176.288 -3.188 17821
34 1 1 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.157 -2.657 17821
35 1 1 . 1 1 10 10 ASP CB C 10 38.300 38.300 39.170 -0.870 17821
36 1 1 . 1 1 10 10 ASP H H 10 8.300 8.300 8.917 -0.617 17821
37 1 1 . 1 1 11 11 SER N N 11 116.400 116.400 118.137 -1.737 17821
38 1 1 . 1 1 11 11 SER HA H 11 4.290 4.290 4.324 -0.034 17821
39 1 1 . 1 1 11 11 SER C C 11 171.200 171.200 174.157 -2.957 17821
40 1 1 . 1 1 11 11 SER CA C 11 55.500 55.500 58.120 -2.619 17821
41 1 1 . 1 1 11 11 SER CB C 11 60.900 60.900 62.487 -1.587 17821
42 1 1 . 1 1 11 11 SER H H 11 8.130 8.130 8.109 0.021 17821
43 1 1 . 1 1 12 12 ASN N N 12 121.600 121.600 120.943 0.657 17821
44 1 1 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.060 -0.830 17821
45 1 1 . 1 1 12 12 ASN C C 12 170.000 170.000 173.515 -3.515 17821
46 1 1 . 1 1 12 12 ASN CA C 12 56.500 56.500 50.982 5.518 17821
47 1 1 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.303 -2.303 17821
48 1 1 . 1 1 12 12 ASN H H 12 8.360 8.360 7.792 0.568 17821
49 1 1 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.465 -0.175 17821
50 1 1 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.530 -2.230 17821
51 1 1 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.147 -2.947 17821
52 1 1 . 1 1 14 14 ALA N N 14 125.700 125.700 122.787 2.913 17821
53 1 1 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.437 -0.027 17821
54 1 1 . 1 1 14 14 ALA C C 14 172.200 172.200 176.612 -4.412 17821
55 1 1 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.957 -3.457 17821
56 1 1 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.362 -3.262 17821
57 1 1 . 1 1 14 14 ALA H H 14 8.260 8.260 8.253 0.007 17821
58 1 1 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.550 -0.270 17821
59 1 1 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.402 -1.902 17821
60 1 1 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.629 -3.429 17821
61 1 1 . 1 1 17 17 GLU N N 17 120.600 120.600 120.328 0.272 17821
62 1 1 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.263 -0.143 17821
63 1 1 . 1 1 17 17 GLU C C 17 173.900 173.900 176.234 -2.334 17821
64 1 1 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.359 -2.259 17821
65 1 1 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.412 -3.312 17821
66 1 1 . 1 1 17 17 GLU H H 17 8.550 8.550 8.423 0.127 17821
67 1 1 . 1 1 18 18 SER N N 18 116.400 116.400 118.457 -2.057 17821
68 1 1 . 1 1 18 18 SER HA H 18 4.310 4.310 4.585 -0.275 17821
69 1 1 . 1 1 18 18 SER C C 18 171.900 171.900 173.883 -1.983 17821
70 1 1 . 1 1 18 18 SER CA C 18 55.600 55.600 58.543 -2.943 17821
71 1 1 . 1 1 18 18 SER CB C 18 60.800 60.800 63.951 -3.151 17821
72 1 1 . 1 1 18 18 SER H H 18 8.240 8.240 8.458 -0.218 17821
73 1 1 . 1 1 19 19 GLN N N 19 122.300 122.300 124.311 -2.011 17821
74 1 1 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.622 -0.422 17821
75 1 1 . 1 1 19 19 GLN C C 19 173.100 173.100 174.565 -1.465 17821
76 1 1 . 1 1 19 19 GLN CA C 19 53.000 53.000 54.647 -1.647 17821
77 1 1 . 1 1 19 19 GLN CB C 19 26.500 26.500 31.017 -4.518 17821
78 1 1 . 1 1 19 19 GLN H H 19 8.310 8.310 8.231 0.079 17821
79 1 1 . 1 1 20 20 GLU N N 20 121.600 121.600 120.344 1.256 17821
80 1 1 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.162 0.128 17821
81 1 1 . 1 1 20 20 GLU C C 20 173.500 173.500 176.439 -2.939 17821
82 1 1 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.438 -2.538 17821
83 1 1 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.245 -2.845 17821
84 1 1 . 1 1 20 20 GLU H H 20 8.240 8.240 8.546 -0.306 17821
85 1 1 . 1 1 21 21 LYS N N 21 122.900 122.900 121.014 1.886 17821
86 1 1 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.708 -0.528 17821
87 1 1 . 1 1 21 21 LYS C C 21 173.400 173.400 177.006 -3.606 17821
88 1 1 . 1 1 21 21 LYS CA C 21 53.300 53.300 54.520 -1.220 17821
89 1 1 . 1 1 21 21 LYS CB C 21 29.800 29.800 34.338 -4.538 17821
90 1 1 . 1 1 21 21 LYS H H 21 8.260 8.260 8.337 -0.077 17821
91 1 1 . 1 1 22 22 LYS N N 22 124.000 124.000 124.101 -0.101 17821
92 1 1 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.295 0.155 17821
93 1 1 . 1 1 22 22 LYS C C 22 171.500 171.500 175.918 -4.418 17821
94 1 1 . 1 1 22 22 LYS CA C 22 51.200 51.200 55.761 -4.561 17821
95 1 1 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.713 -2.213 17821
96 1 1 . 1 1 22 22 LYS H H 22 8.220 8.220 8.567 -0.347 17821
97 1 1 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.499 -0.209 17821
98 1 1 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.604 -2.504 17821
99 1 1 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.138 -2.938 17821
100 1 1 . 1 1 24 24 LEU N N 24 122.700 122.700 116.149 6.551 17821
101 1 1 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.502 -0.342 17821
102 1 1 . 1 1 24 24 LEU C C 24 174.400 174.400 176.490 -2.090 17821
103 1 1 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.625 -2.225 17821
104 1 1 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.442 -2.842 17821
105 1 1 . 1 1 24 24 LEU H H 24 8.270 8.270 8.156 0.114 17821
106 1 1 . 1 1 25 25 LYS N N 25 123.400 123.400 118.545 4.855 17821
107 1 1 . 1 1 25 25 LYS C C 25 171.600 171.600 174.860 -3.260 17821
108 1 1 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.756 -2.856 17821
109 1 1 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.301 -3.501 17821
110 1 1 . 1 1 25 25 LYS H H 25 8.180 8.180 8.447 -0.267 17821
111 1 1 . 1 1 28 28 CYS CA C 28 46.000 46.000 60.121 -14.121 17821
112 1 1 . 1 1 28 28 CYS CB C 28 31.000 31.000 27.164 3.836 17821
113 1 1 . 1 1 29 29 ALA N N 29 123.800 123.800 129.567 -5.767 17821
114 1 1 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.555 -0.405 17821
115 1 1 . 1 1 29 29 ALA C C 29 173.200 173.200 175.351 -2.151 17821
116 1 1 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.700 -2.000 17821
117 1 1 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.025 -3.425 17821
118 1 1 . 1 1 29 29 ALA H H 29 8.050 8.050 8.199 -0.149 17821
119 1 1 . 1 1 30 30 SER N N 30 112.800 112.800 116.304 -3.504 17821
120 1 1 . 1 1 30 30 SER HA H 30 4.580 4.580 5.030 -0.450 17821
121 1 1 . 1 1 30 30 SER C C 30 173.300 173.300 173.993 -0.693 17821
122 1 1 . 1 1 30 30 SER CA C 30 52.600 52.600 55.002 -2.401 17821
123 1 1 . 1 1 30 30 SER CB C 30 59.400 59.400 63.806 -4.406 17821
124 1 1 . 1 1 30 30 SER H H 30 8.270 8.270 8.782 -0.512 17821
125 1 1 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.221 -0.061 17821
126 1 1 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.094 -3.294 17821
127 1 1 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.833 -2.533 17821
128 1 1 . 1 1 32 32 GLU N N 32 119.100 119.100 117.963 1.137 17821
129 1 1 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.140 -0.080 17821
130 1 1 . 1 1 32 32 GLU C C 32 177.300 177.300 178.359 -1.059 17821
131 1 1 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.992 -3.092 17821
132 1 1 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.560 -2.560 17821
133 1 1 . 1 1 32 32 GLU H H 32 8.720 8.720 8.879 -0.159 17821
134 1 1 . 1 1 33 33 THR N N 33 110.800 110.800 113.015 -2.215 17821
135 1 1 . 1 1 33 33 THR HA H 33 4.040 4.040 4.115 -0.075 17821
136 1 1 . 1 1 33 33 THR C C 33 176.000 176.000 176.258 -0.258 17821
137 1 1 . 1 1 33 33 THR CA C 33 61.700 61.700 65.652 -3.952 17821
138 1 1 . 1 1 33 33 THR CB C 33 64.100 64.100 68.547 -4.447 17821
139 1 1 . 1 1 33 33 THR H H 33 7.620 7.620 7.618 0.002 17821
140 1 1 . 1 1 34 34 LYS N N 34 127.100 127.100 121.981 5.119 17821
141 1 1 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.847 -0.927 17821
142 1 1 . 1 1 34 34 LYS C C 34 174.300 174.300 178.396 -4.096 17821
143 1 1 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.857 -2.557 17821
144 1 1 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.435 -2.435 17821
145 1 1 . 1 1 34 34 LYS H H 34 7.740 7.740 8.135 -0.395 17821
146 1 1 . 1 1 35 35 LYS N N 35 118.500 118.500 118.701 -0.201 17821
147 1 1 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.045 -0.155 17821
148 1 1 . 1 1 35 35 LYS C C 35 176.500 176.500 178.995 -2.495 17821
149 1 1 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.111 -2.411 17821
150 1 1 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.918 -2.418 17821
151 1 1 . 1 1 35 35 LYS H H 35 7.880 7.880 7.908 -0.028 17821
152 1 1 . 1 1 36 36 ALA N N 36 120.100 120.100 121.976 -1.876 17821
153 1 1 . 1 1 36 36 ALA HA H 36 4.040 4.040 3.989 0.051 17821
154 1 1 . 1 1 36 36 ALA C C 36 177.600 177.600 179.416 -1.816 17821
155 1 1 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.118 -3.118 17821
156 1 1 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.459 -3.059 17821
157 1 1 . 1 1 36 36 ALA H H 36 7.490 7.490 8.382 -0.892 17821
158 1 1 . 1 1 37 37 ARG N N 37 118.500 118.500 118.922 -0.422 17821
159 1 1 . 1 1 37 37 ARG HA H 37 3.620 3.620 4.031 -0.411 17821
160 1 1 . 1 1 37 37 ARG C C 37 174.100 174.100 178.388 -4.288 17821
161 1 1 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.103 -2.503 17821
162 1 1 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.495 -2.395 17821
163 1 1 . 1 1 37 37 ARG H H 37 7.630 7.630 8.344 -0.714 17821
164 1 1 . 1 1 38 38 ASP N N 38 120.200 120.200 119.118 1.082 17821
165 1 1 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.393 -0.123 17821
166 1 1 . 1 1 38 38 ASP C C 38 175.500 175.500 178.460 -2.960 17821
167 1 1 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.369 -2.669 17821
168 1 1 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.620 -4.420 17821
169 1 1 . 1 1 38 38 ASP H H 38 8.680 8.680 8.215 0.465 17821
170 1 1 . 1 1 39 39 ALA N N 39 121.100 121.100 121.218 -0.118 17821
171 1 1 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.110 -0.100 17821
172 1 1 . 1 1 39 39 ALA C C 39 176.800 176.800 179.533 -2.733 17821
173 1 1 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.236 -3.135 17821
174 1 1 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.309 -3.110 17821
175 1 1 . 1 1 39 39 ALA H H 39 8.040 8.040 8.137 -0.097 17821
176 1 1 . 1 1 40 40 CYS N N 40 117.600 117.600 118.570 -0.970 17821
177 1 1 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.236 -0.056 17821
178 1 1 . 1 1 40 40 CYS C C 40 173.800 173.800 177.023 -3.223 17821
179 1 1 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.306 -4.406 17821
180 1 1 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.798 10.602 17821
181 1 1 . 1 1 40 40 CYS H H 40 7.340 7.340 8.158 -0.818 17821
182 1 1 . 1 1 41 41 ILE N N 41 121.500 121.500 121.205 0.295 17821
183 1 1 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.837 -0.787 17821
184 1 1 . 1 1 41 41 ILE C C 41 176.100 176.100 178.389 -2.289 17821
185 1 1 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.896 -1.496 17821
186 1 1 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.828 -2.528 17821
187 1 1 . 1 1 41 41 ILE H H 41 8.230 8.230 8.531 -0.301 17821
188 1 1 . 1 1 42 42 ILE N N 42 119.200 119.200 120.112 -0.912 17821
189 1 1 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.672 0.018 17821
190 1 1 . 1 1 42 42 ILE C C 42 174.200 174.200 177.660 -3.460 17821
191 1 1 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.899 -3.599 17821
192 1 1 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.907 -2.107 17821
193 1 1 . 1 1 42 42 ILE H H 42 7.770 7.770 7.969 -0.199 17821
194 1 1 . 1 1 43 43 GLU N N 43 118.700 118.700 118.834 -0.134 17821
195 1 1 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.127 -0.077 17821
196 1 1 . 1 1 43 43 GLU C C 43 175.300 175.300 177.744 -2.444 17821
197 1 1 . 1 1 43 43 GLU CA C 43 56.300 56.300 59.009 -2.709 17821
198 1 1 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.238 -2.038 17821
199 1 1 . 1 1 43 43 GLU H H 43 7.600 7.600 8.089 -0.489 17821
200 1 1 . 1 1 44 44 LYS N N 44 114.600 114.600 114.550 0.050 17821
201 1 1 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.451 -0.001 17821
202 1 1 . 1 1 44 44 LYS C C 44 174.500 174.500 175.915 -1.415 17821
203 1 1 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.416 -2.616 17821
204 1 1 . 1 1 44 44 LYS CB C 44 32.700 32.700 36.033 -3.333 17821
205 1 1 . 1 1 44 44 LYS H H 44 8.860 8.860 8.306 0.554 17821
206 1 1 . 1 1 45 45 GLY N N 45 108.700 108.700 108.097 0.603 17821
207 1 1 . 1 1 45 45 GLY C C 45 171.000 171.000 174.912 -3.912 17821
208 1 1 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.456 -3.156 17821
209 1 1 . 1 1 45 45 GLY H H 45 7.690 7.690 7.719 -0.029 17821
210 1 1 . 1 1 46 46 GLU N N 46 120.800 120.800 122.180 -1.380 17821
211 1 1 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.947 -0.507 17821
212 1 1 . 1 1 46 46 GLU C C 46 175.800 175.800 177.578 -1.778 17821
213 1 1 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.689 -1.389 17821
214 1 1 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.781 -2.681 17821
215 1 1 . 1 1 46 46 GLU H H 46 8.900 8.900 8.916 -0.016 17821
216 1 1 . 1 1 47 47 GLU N N 47 118.700 118.700 117.862 0.838 17821
217 1 1 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.194 -0.254 17821
218 1 1 . 1 1 47 47 GLU C C 47 174.300 174.300 176.153 -1.853 17821
219 1 1 . 1 1 47 47 GLU CA C 47 55.900 55.900 56.616 -0.716 17821
220 1 1 . 1 1 47 47 GLU CB C 47 25.500 25.500 27.779 -2.280 17821
221 1 1 . 1 1 47 47 GLU H H 47 9.530 9.530 8.685 0.845 17821
222 1 1 . 1 1 48 48 HIS N N 48 117.500 117.500 114.743 2.757 17821
223 1 1 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.775 0.095 17821
224 1 1 . 1 1 48 48 HIS C C 48 173.300 173.300 174.218 -0.918 17821
225 1 1 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.057 -2.957 17821
226 1 1 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.993 -2.093 17821
227 1 1 . 1 1 48 48 HIS H H 48 7.500 7.500 7.670 -0.170 17821
228 1 1 . 1 1 49 49 CYS N N 49 116.100 116.100 119.263 -3.163 17821
229 1 1 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.919 0.131 17821
230 1 1 . 1 1 49 49 CYS C C 49 173.700 173.700 175.916 -2.216 17821
231 1 1 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.768 -6.068 17821
232 1 1 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.389 13.111 17821
233 1 1 . 1 1 49 49 CYS H H 49 7.460 7.460 7.720 -0.260 17821
234 1 1 . 1 1 50 50 GLY N N 50 112.900 112.900 109.379 3.521 17821
235 1 1 . 1 1 50 50 GLY C C 50 172.500 172.500 175.871 -3.371 17821
236 1 1 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.594 -2.294 17821
237 1 1 . 1 1 50 50 GLY H H 50 9.150 9.150 8.638 0.512 17821
238 1 1 . 1 1 51 51 HIS C C 51 175.400 175.400 177.317 -1.917 17821
239 1 1 . 1 1 51 51 HIS CA C 51 56.400 56.400 57.093 -0.693 17821
240 1 1 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.249 -3.249 17821
241 1 1 . 1 1 52 52 LEU N N 52 122.000 122.000 120.884 1.116 17821
242 1 1 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.272 -0.162 17821
243 1 1 . 1 1 52 52 LEU C C 52 177.700 177.700 178.888 -1.188 17821
244 1 1 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.918 -3.118 17821
245 1 1 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.194 -1.694 17821
246 1 1 . 1 1 52 52 LEU H H 52 6.810 6.810 8.090 -1.280 17821
247 1 1 . 1 1 53 53 ILE N N 53 124.200 124.200 121.275 2.925 17821
248 1 1 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.014 0.416 17821
249 1 1 . 1 1 53 53 ILE C C 53 176.100 176.100 178.080 -1.980 17821
250 1 1 . 1 1 53 53 ILE CA C 53 63.200 63.200 64.562 -1.362 17821
251 1 1 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.527 -1.627 17821
252 1 1 . 1 1 53 53 ILE H H 53 8.170 8.170 7.978 0.192 17821
253 1 1 . 1 1 54 54 GLU N N 54 120.600 120.600 119.930 0.670 17821
254 1 1 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.814 0.216 17821
255 1 1 . 1 1 54 54 GLU C C 54 175.400 175.400 178.706 -3.306 17821
256 1 1 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.913 -3.813 17821
257 1 1 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.623 -3.623 17821
258 1 1 . 1 1 54 54 GLU H H 54 8.380 8.380 8.290 0.090 17821
259 1 1 . 1 1 55 55 ALA N N 55 120.800 120.800 121.029 -0.229 17821
260 1 1 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.029 0.091 17821
261 1 1 . 1 1 55 55 ALA C C 55 177.900 177.900 179.579 -1.679 17821
262 1 1 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.341 -3.141 17821
263 1 1 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.493 -3.393 17821
264 1 1 . 1 1 55 55 ALA H H 55 7.880 7.880 7.993 -0.113 17821
265 1 1 . 1 1 56 56 HIS N N 56 117.400 117.400 117.140 0.260 17821
266 1 1 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.400 -0.100 17821
267 1 1 . 1 1 56 56 HIS C C 56 173.500 173.500 177.367 -3.867 17821
268 1 1 . 1 1 56 56 HIS CA C 56 57.000 57.000 58.141 -1.141 17821
269 1 1 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.388 -1.088 17821
270 1 1 . 1 1 56 56 HIS H H 56 7.640 7.640 8.313 -0.673 17821
271 1 1 . 1 1 57 57 LYS N N 57 119.200 119.200 120.445 -1.245 17821
272 1 1 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.064 -0.464 17821
273 1 1 . 1 1 57 57 LYS C C 57 176.200 176.200 178.860 -2.660 17821
274 1 1 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.673 -2.073 17821
275 1 1 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.005 -2.505 17821
276 1 1 . 1 1 57 57 LYS H H 57 7.620 7.620 8.381 -0.761 17821
277 1 1 . 1 1 58 58 GLU N N 58 118.400 118.400 120.010 -1.610 17821
278 1 1 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.117 -0.147 17821
279 1 1 . 1 1 58 58 GLU C C 58 176.200 176.200 179.088 -2.888 17821
280 1 1 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.793 -2.593 17821
281 1 1 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.291 -2.991 17821
282 1 1 . 1 1 58 58 GLU H H 58 8.490 8.490 8.357 0.133 17821
283 1 1 . 1 1 59 59 SER N N 59 116.100 116.100 116.588 -0.488 17821
284 1 1 . 1 1 59 59 SER HA H 59 4.150 4.150 4.215 -0.065 17821
285 1 1 . 1 1 59 59 SER CA C 59 58.400 58.400 61.664 -3.264 17821
286 1 1 . 1 1 59 59 SER CB C 59 60.300 60.300 63.164 -2.864 17821
287 1 1 . 1 1 59 59 SER H H 59 7.790 7.790 8.228 -0.438 17821
288 1 1 . 1 1 60 60 MET N N 60 117.500 117.500 118.074 -0.574 17821
289 1 1 . 1 1 60 60 MET HA H 60 4.170 4.170 4.328 -0.158 17821
290 1 1 . 1 1 60 60 MET C C 60 176.400 176.400 177.157 -0.757 17821
291 1 1 . 1 1 60 60 MET CA C 60 54.400 54.400 55.519 -1.119 17821
292 1 1 . 1 1 60 60 MET CB C 60 29.100 29.100 32.592 -3.492 17821
293 1 1 . 1 1 60 60 MET H H 60 7.880 7.880 7.986 -0.106 17821
294 1 1 . 1 1 61 61 ARG N N 61 121.300 121.300 121.209 0.091 17821
295 1 1 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.999 0.171 17821
296 1 1 . 1 1 61 61 ARG C C 61 177.500 177.500 178.754 -1.254 17821
297 1 1 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.279 -3.179 17821
298 1 1 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.190 -2.690 17821
299 1 1 . 1 1 61 61 ARG H H 61 8.290 8.290 8.170 0.120 17821
300 1 1 . 1 1 62 62 ALA N N 62 123.200 123.200 122.831 0.369 17821
301 1 1 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.098 -0.028 17821
302 1 1 . 1 1 62 62 ALA C C 62 176.400 176.400 178.344 -1.944 17821
303 1 1 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.405 -2.905 17821
304 1 1 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.501 -3.401 17821
305 1 1 . 1 1 62 62 ALA H H 62 7.950 7.950 7.914 0.036 17821
306 1 1 . 1 1 63 63 LEU N N 63 117.500 117.500 116.607 0.893 17821
307 1 1 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.308 -0.108 17821
308 1 1 . 1 1 63 63 LEU C C 63 174.400 174.400 177.247 -2.847 17821
309 1 1 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.018 -1.118 17821
310 1 1 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.929 -1.129 17821
311 1 1 . 1 1 63 63 LEU H H 63 7.450 7.450 7.503 -0.053 17821
312 1 1 . 1 1 64 64 GLY N N 64 106.300 106.300 107.996 -1.696 17821
313 1 1 . 1 1 64 64 GLY C C 64 171.400 171.400 175.084 -3.684 17821
314 1 1 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.932 -3.833 17821
315 1 1 . 1 1 64 64 GLY H H 64 7.780 7.780 7.707 0.073 17821
316 1 1 . 1 1 65 65 PHE N N 65 119.800 119.800 115.753 4.047 17821
317 1 1 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.968 -0.498 17821
318 1 1 . 1 1 65 65 PHE C C 65 172.300 172.300 175.275 -2.975 17821
319 1 1 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.123 -1.224 17821
320 1 1 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.989 -2.089 17821
321 1 1 . 1 1 65 65 PHE H H 65 7.840 7.840 7.527 0.313 17821
322 1 1 . 1 1 66 66 LYS N N 66 124.000 124.000 121.529 2.471 17821
323 1 1 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.514 -0.254 17821
324 1 1 . 1 1 66 66 LYS C C 66 172.200 172.200 175.699 -3.499 17821
325 1 1 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.035 -3.835 17821
326 1 1 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.710 -4.410 17821
327 1 1 . 1 1 66 66 LYS H H 66 8.370 8.370 8.257 0.113 17821
328 1 2 . 1 1 4 4 THR N N 4 117.400 117.400 116.109 1.291 17821
329 1 2 . 1 1 4 4 THR HA H 4 4.130 4.130 4.484 -0.354 17821
330 1 2 . 1 1 4 4 THR C C 4 170.800 170.800 174.569 -3.769 17821
331 1 2 . 1 1 4 4 THR CA C 4 58.800 58.800 62.455 -3.655 17821
332 1 2 . 1 1 4 4 THR CB C 4 67.000 67.000 69.442 -2.442 17821
333 1 2 . 1 1 4 4 THR H H 4 7.980 7.980 8.342 -0.362 17821
334 1 2 . 1 1 5 5 MET N N 5 124.400 124.400 123.102 1.298 17821
335 1 2 . 1 1 5 5 MET C C 5 171.200 171.200 174.057 -2.857 17821
336 1 2 . 1 1 5 5 MET CA C 5 50.400 50.400 52.659 -2.259 17821
337 1 2 . 1 1 5 5 MET CB C 5 29.600 29.600 34.097 -4.497 17821
338 1 2 . 1 1 5 5 MET H H 5 8.250 8.250 8.427 -0.177 17821
339 1 2 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.427 -0.147 17821
340 1 2 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.060 -2.560 17821
341 1 2 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.270 -3.071 17821
342 1 2 . 1 1 7 7 GLY N N 7 109.000 109.000 111.932 -2.932 17821
343 1 2 . 1 1 7 7 GLY C C 7 171.200 171.200 174.690 -3.490 17821
344 1 2 . 1 1 7 7 GLY CA C 7 42.400 42.400 46.171 -3.771 17821
345 1 2 . 1 1 7 7 GLY H H 7 8.360 8.360 8.705 -0.345 17821
346 1 2 . 1 1 8 8 LEU N N 8 121.700 121.700 124.514 -2.814 17821
347 1 2 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.379 -0.119 17821
348 1 2 . 1 1 8 8 LEU C C 8 174.600 174.600 175.993 -1.393 17821
349 1 2 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.348 -2.048 17821
350 1 2 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.639 -1.240 17821
351 1 2 . 1 1 8 8 LEU H H 8 7.920 7.920 7.787 0.133 17821
352 1 2 . 1 1 9 9 VAL N N 9 120.900 120.900 120.434 0.466 17821
353 1 2 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.348 -0.368 17821
354 1 2 . 1 1 9 9 VAL C C 9 172.900 172.900 175.444 -2.544 17821
355 1 2 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.813 -1.413 17821
356 1 2 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.030 -3.030 17821
357 1 2 . 1 1 9 9 VAL H H 9 8.050 8.050 7.873 0.177 17821
358 1 2 . 1 1 10 10 ASP N N 10 124.300 124.300 125.748 -1.448 17821
359 1 2 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.589 -0.119 17821
360 1 2 . 1 1 10 10 ASP C C 10 173.100 173.100 175.550 -2.450 17821
361 1 2 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.427 -2.927 17821
362 1 2 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.123 -2.823 17821
363 1 2 . 1 1 10 10 ASP H H 10 8.300 8.300 8.531 -0.231 17821
364 1 2 . 1 1 11 11 SER N N 11 116.400 116.400 116.983 -0.583 17821
365 1 2 . 1 1 11 11 SER HA H 11 4.290 4.290 4.567 -0.277 17821
366 1 2 . 1 1 11 11 SER C C 11 171.200 171.200 174.237 -3.037 17821
367 1 2 . 1 1 11 11 SER CA C 11 55.500 55.500 57.102 -1.602 17821
368 1 2 . 1 1 11 11 SER CB C 11 60.900 60.900 64.196 -3.296 17821
369 1 2 . 1 1 11 11 SER H H 11 8.130 8.130 8.531 -0.401 17821
370 1 2 . 1 1 12 12 ASN N N 12 121.600 121.600 123.437 -1.837 17821
371 1 2 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.935 -0.705 17821
372 1 2 . 1 1 12 12 ASN C C 12 170.000 170.000 173.677 -3.677 17821
373 1 2 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.796 4.704 17821
374 1 2 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.100 -2.100 17821
375 1 2 . 1 1 12 12 ASN H H 12 8.360 8.360 8.420 -0.060 17821
376 1 2 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.493 -0.203 17821
377 1 2 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.453 -3.153 17821
378 1 2 . 1 1 13 13 PRO CB C 13 29.200 29.200 31.895 -2.696 17821
379 1 2 . 1 1 14 14 ALA N N 14 125.700 125.700 124.229 1.471 17821
380 1 2 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.182 0.228 17821
381 1 2 . 1 1 14 14 ALA C C 14 172.200 172.200 175.346 -3.146 17821
382 1 2 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.851 -4.351 17821
383 1 2 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.984 -2.884 17821
384 1 2 . 1 1 14 14 ALA H H 14 8.260 8.260 8.267 -0.007 17821
385 1 2 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.604 -0.324 17821
386 1 2 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.503 -2.003 17821
387 1 2 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.753 -3.553 17821
388 1 2 . 1 1 17 17 GLU N N 17 120.600 120.600 119.897 0.703 17821
389 1 2 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.356 -0.236 17821
390 1 2 . 1 1 17 17 GLU C C 17 173.900 173.900 176.718 -2.818 17821
391 1 2 . 1 1 17 17 GLU CA C 17 54.100 54.100 57.217 -3.117 17821
392 1 2 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.619 -2.518 17821
393 1 2 . 1 1 17 17 GLU H H 17 8.550 8.550 8.673 -0.123 17821
394 1 2 . 1 1 18 18 SER N N 18 116.400 116.400 113.957 2.443 17821
395 1 2 . 1 1 18 18 SER HA H 18 4.310 4.310 4.590 -0.280 17821
396 1 2 . 1 1 18 18 SER C C 18 171.900 171.900 173.970 -2.070 17821
397 1 2 . 1 1 18 18 SER CA C 18 55.600 55.600 57.824 -2.224 17821
398 1 2 . 1 1 18 18 SER CB C 18 60.800 60.800 63.747 -2.947 17821
399 1 2 . 1 1 18 18 SER H H 18 8.240 8.240 7.849 0.391 17821
400 1 2 . 1 1 19 19 GLN N N 19 122.300 122.300 121.242 1.058 17821
401 1 2 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.508 -0.308 17821
402 1 2 . 1 1 19 19 GLN C C 19 173.100 173.100 175.162 -2.062 17821
403 1 2 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.182 -2.182 17821
404 1 2 . 1 1 19 19 GLN CB C 19 26.500 26.500 30.452 -3.952 17821
405 1 2 . 1 1 19 19 GLN H H 19 8.310 8.310 7.875 0.435 17821
406 1 2 . 1 1 20 20 GLU N N 20 121.600 121.600 122.383 -0.783 17821
407 1 2 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.312 -0.022 17821
408 1 2 . 1 1 20 20 GLU C C 20 173.500 173.500 176.306 -2.806 17821
409 1 2 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.828 -2.928 17821
410 1 2 . 1 1 20 20 GLU CB C 20 27.400 27.400 29.746 -2.346 17821
411 1 2 . 1 1 20 20 GLU H H 20 8.240 8.240 8.485 -0.245 17821
412 1 2 . 1 1 21 21 LYS N N 21 122.900 122.900 125.128 -2.228 17821
413 1 2 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.434 -0.254 17821
414 1 2 . 1 1 21 21 LYS C C 21 173.400 173.400 175.457 -2.057 17821
415 1 2 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.507 -2.207 17821
416 1 2 . 1 1 21 21 LYS CB C 21 29.800 29.800 34.147 -4.347 17821
417 1 2 . 1 1 21 21 LYS H H 21 8.260 8.260 8.296 -0.036 17821
418 1 2 . 1 1 22 22 LYS N N 22 124.000 124.000 122.847 1.153 17821
419 1 2 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.465 -0.015 17821
420 1 2 . 1 1 22 22 LYS C C 22 171.500 171.500 175.279 -3.779 17821
421 1 2 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.968 -3.768 17821
422 1 2 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.477 -1.977 17821
423 1 2 . 1 1 22 22 LYS H H 22 8.220 8.220 8.438 -0.218 17821
424 1 2 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.483 -0.193 17821
425 1 2 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.225 -3.125 17821
426 1 2 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.351 -3.151 17821
427 1 2 . 1 1 24 24 LEU N N 24 122.700 122.700 122.386 0.314 17821
428 1 2 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.606 -0.446 17821
429 1 2 . 1 1 24 24 LEU C C 24 174.400 174.400 175.963 -1.563 17821
430 1 2 . 1 1 24 24 LEU CA C 24 52.400 52.400 53.442 -1.042 17821
431 1 2 . 1 1 24 24 LEU CB C 24 39.600 39.600 43.969 -4.369 17821
432 1 2 . 1 1 24 24 LEU H H 24 8.270 8.270 8.112 0.158 17821
433 1 2 . 1 1 25 25 LYS N N 25 123.400 123.400 121.885 1.515 17821
434 1 2 . 1 1 25 25 LYS C C 25 171.600 171.600 174.275 -2.675 17821
435 1 2 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.913 -3.013 17821
436 1 2 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.862 -3.062 17821
437 1 2 . 1 1 25 25 LYS H H 25 8.180 8.180 8.266 -0.086 17821
438 1 2 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.640 -13.640 17821
439 1 2 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.665 2.335 17821
440 1 2 . 1 1 29 29 ALA N N 29 123.800 123.800 125.591 -1.791 17821
441 1 2 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.566 -0.416 17821
442 1 2 . 1 1 29 29 ALA C C 29 173.200 173.200 175.856 -2.656 17821
443 1 2 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.729 -2.029 17821
444 1 2 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.079 -3.479 17821
445 1 2 . 1 1 29 29 ALA H H 29 8.050 8.050 8.098 -0.048 17821
446 1 2 . 1 1 30 30 SER N N 30 112.800 112.800 116.147 -3.347 17821
447 1 2 . 1 1 30 30 SER HA H 30 4.580 4.580 5.251 -0.671 17821
448 1 2 . 1 1 30 30 SER C C 30 173.300 173.300 173.916 -0.616 17821
449 1 2 . 1 1 30 30 SER CA C 30 52.600 52.600 55.114 -2.514 17821
450 1 2 . 1 1 30 30 SER CB C 30 59.400 59.400 63.264 -3.865 17821
451 1 2 . 1 1 30 30 SER H H 30 8.270 8.270 8.640 -0.370 17821
452 1 2 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.232 -0.072 17821
453 1 2 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.302 -3.502 17821
454 1 2 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.041 -2.741 17821
455 1 2 . 1 1 32 32 GLU N N 32 119.100 119.100 118.273 0.827 17821
456 1 2 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.068 -0.008 17821
457 1 2 . 1 1 32 32 GLU C C 32 177.300 177.300 178.762 -1.462 17821
458 1 2 . 1 1 32 32 GLU CA C 32 56.900 56.900 60.387 -3.487 17821
459 1 2 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.499 -2.499 17821
460 1 2 . 1 1 32 32 GLU H H 32 8.720 8.720 8.873 -0.153 17821
461 1 2 . 1 1 33 33 THR N N 33 110.800 110.800 112.258 -1.458 17821
462 1 2 . 1 1 33 33 THR HA H 33 4.040 4.040 4.083 -0.043 17821
463 1 2 . 1 1 33 33 THR C C 33 176.000 176.000 176.570 -0.570 17821
464 1 2 . 1 1 33 33 THR CA C 33 61.700 61.700 65.535 -3.835 17821
465 1 2 . 1 1 33 33 THR CB C 33 64.100 64.100 68.889 -4.789 17821
466 1 2 . 1 1 33 33 THR H H 33 7.620 7.620 7.959 -0.339 17821
467 1 2 . 1 1 34 34 LYS N N 34 127.100 127.100 123.101 3.999 17821
468 1 2 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.249 -1.329 17821
469 1 2 . 1 1 34 34 LYS C C 34 174.300 174.300 178.787 -4.487 17821
470 1 2 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.749 -2.449 17821
471 1 2 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.626 -2.626 17821
472 1 2 . 1 1 34 34 LYS H H 34 7.740 7.740 7.684 0.056 17821
473 1 2 . 1 1 35 35 LYS N N 35 118.500 118.500 119.303 -0.803 17821
474 1 2 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.083 -0.193 17821
475 1 2 . 1 1 35 35 LYS C C 35 176.500 176.500 178.939 -2.439 17821
476 1 2 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.063 -2.363 17821
477 1 2 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.134 -2.634 17821
478 1 2 . 1 1 35 35 LYS H H 35 7.880 7.880 8.266 -0.386 17821
479 1 2 . 1 1 36 36 ALA N N 36 120.100 120.100 122.481 -2.381 17821
480 1 2 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.131 -0.091 17821
481 1 2 . 1 1 36 36 ALA C C 36 177.600 177.600 179.539 -1.939 17821
482 1 2 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.040 -3.040 17821
483 1 2 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.297 -2.897 17821
484 1 2 . 1 1 36 36 ALA H H 36 7.490 7.490 8.341 -0.851 17821
485 1 2 . 1 1 37 37 ARG N N 37 118.500 118.500 119.245 -0.745 17821
486 1 2 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.951 -0.331 17821
487 1 2 . 1 1 37 37 ARG C C 37 174.100 174.100 177.860 -3.760 17821
488 1 2 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.799 -3.199 17821
489 1 2 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.176 -3.076 17821
490 1 2 . 1 1 37 37 ARG H H 37 7.630 7.630 8.319 -0.689 17821
491 1 2 . 1 1 38 38 ASP N N 38 120.200 120.200 119.808 0.392 17821
492 1 2 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.304 -0.034 17821
493 1 2 . 1 1 38 38 ASP C C 38 175.500 175.500 178.672 -3.172 17821
494 1 2 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.366 -2.666 17821
495 1 2 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.262 -4.062 17821
496 1 2 . 1 1 38 38 ASP H H 38 8.680 8.680 8.223 0.457 17821
497 1 2 . 1 1 39 39 ALA N N 39 121.100 121.100 121.842 -0.742 17821
498 1 2 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.121 -0.111 17821
499 1 2 . 1 1 39 39 ALA C C 39 176.800 176.800 179.550 -2.750 17821
500 1 2 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.245 -3.146 17821
501 1 2 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.314 -3.114 17821
502 1 2 . 1 1 39 39 ALA H H 39 8.040 8.040 8.474 -0.434 17821
503 1 2 . 1 1 40 40 CYS N N 40 117.600 117.600 118.053 -0.453 17821
504 1 2 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.182 -0.002 17821
505 1 2 . 1 1 40 40 CYS C C 40 173.800 173.800 176.843 -3.043 17821
506 1 2 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.797 -4.897 17821
507 1 2 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.072 10.328 17821
508 1 2 . 1 1 40 40 CYS H H 40 7.340 7.340 7.948 -0.608 17821
509 1 2 . 1 1 41 41 ILE N N 41 121.500 121.500 120.643 0.857 17821
510 1 2 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.896 -0.846 17821
511 1 2 . 1 1 41 41 ILE C C 41 176.100 176.100 178.411 -2.311 17821
512 1 2 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.520 -1.120 17821
513 1 2 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.931 -2.631 17821
514 1 2 . 1 1 41 41 ILE H H 41 8.230 8.230 8.454 -0.224 17821
515 1 2 . 1 1 42 42 ILE N N 42 119.200 119.200 120.076 -0.876 17821
516 1 2 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.703 -0.013 17821
517 1 2 . 1 1 42 42 ILE C C 42 174.200 174.200 177.434 -3.234 17821
518 1 2 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.567 -3.268 17821
519 1 2 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.933 -2.133 17821
520 1 2 . 1 1 42 42 ILE H H 42 7.770 7.770 8.073 -0.303 17821
521 1 2 . 1 1 43 43 GLU N N 43 118.700 118.700 119.307 -0.607 17821
522 1 2 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.265 -0.215 17821
523 1 2 . 1 1 43 43 GLU C C 43 175.300 175.300 177.911 -2.611 17821
524 1 2 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.483 -2.183 17821
525 1 2 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.345 -2.145 17821
526 1 2 . 1 1 43 43 GLU H H 43 7.600 7.600 8.046 -0.446 17821
527 1 2 . 1 1 44 44 LYS N N 44 114.600 114.600 116.170 -1.570 17821
528 1 2 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.326 0.124 17821
529 1 2 . 1 1 44 44 LYS C C 44 174.500 174.500 176.339 -1.839 17821
530 1 2 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.434 -2.634 17821
531 1 2 . 1 1 44 44 LYS CB C 44 32.700 32.700 34.677 -1.977 17821
532 1 2 . 1 1 44 44 LYS H H 44 8.860 8.860 8.311 0.549 17821
533 1 2 . 1 1 45 45 GLY N N 45 108.700 108.700 108.160 0.540 17821
534 1 2 . 1 1 45 45 GLY C C 45 171.000 171.000 174.895 -3.895 17821
535 1 2 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.459 -3.159 17821
536 1 2 . 1 1 45 45 GLY H H 45 7.690 7.690 7.751 -0.061 17821
537 1 2 . 1 1 46 46 GLU N N 46 120.800 120.800 121.413 -0.613 17821
538 1 2 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.951 -0.511 17821
539 1 2 . 1 1 46 46 GLU C C 46 175.800 175.800 177.002 -1.202 17821
540 1 2 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.271 -0.971 17821
541 1 2 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.607 -2.507 17821
542 1 2 . 1 1 46 46 GLU H H 46 8.900 8.900 8.861 0.039 17821
543 1 2 . 1 1 47 47 GLU N N 47 118.700 118.700 116.209 2.491 17821
544 1 2 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.199 -0.259 17821
545 1 2 . 1 1 47 47 GLU C C 47 174.300 174.300 177.887 -3.587 17821
546 1 2 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.189 -1.289 17821
547 1 2 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.255 -3.755 17821
548 1 2 . 1 1 47 47 GLU H H 47 9.530 9.530 8.672 0.858 17821
549 1 2 . 1 1 48 48 HIS N N 48 117.500 117.500 116.532 0.968 17821
550 1 2 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.738 0.132 17821
551 1 2 . 1 1 48 48 HIS C C 48 173.300 173.300 174.997 -1.697 17821
552 1 2 . 1 1 48 48 HIS CA C 48 53.100 53.100 57.504 -4.404 17821
553 1 2 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.911 -2.011 17821
554 1 2 . 1 1 48 48 HIS H H 48 7.500 7.500 7.936 -0.436 17821
555 1 2 . 1 1 49 49 CYS N N 49 116.100 116.100 118.061 -1.961 17821
556 1 2 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.894 0.156 17821
557 1 2 . 1 1 49 49 CYS C C 49 173.700 173.700 176.277 -2.577 17821
558 1 2 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.859 -6.159 17821
559 1 2 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.282 13.218 17821
560 1 2 . 1 1 49 49 CYS H H 49 7.460 7.460 7.523 -0.063 17821
561 1 2 . 1 1 50 50 GLY N N 50 112.900 112.900 110.155 2.745 17821
562 1 2 . 1 1 50 50 GLY C C 50 172.500 172.500 175.965 -3.465 17821
563 1 2 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.397 -2.097 17821
564 1 2 . 1 1 50 50 GLY H H 50 9.150 9.150 8.749 0.401 17821
565 1 2 . 1 1 51 51 HIS C C 51 175.400 175.400 177.162 -1.762 17821
566 1 2 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.704 -2.304 17821
567 1 2 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.682 -3.682 17821
568 1 2 . 1 1 52 52 LEU N N 52 122.000 122.000 122.198 -0.198 17821
569 1 2 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.200 -0.090 17821
570 1 2 . 1 1 52 52 LEU C C 52 177.700 177.700 178.922 -1.222 17821
571 1 2 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.230 -3.430 17821
572 1 2 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.272 -1.772 17821
573 1 2 . 1 1 52 52 LEU H H 52 6.810 6.810 7.628 -0.818 17821
574 1 2 . 1 1 53 53 ILE N N 53 124.200 124.200 119.929 4.271 17821
575 1 2 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.590 -0.160 17821
576 1 2 . 1 1 53 53 ILE C C 53 176.100 176.100 178.078 -1.978 17821
577 1 2 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.158 -2.958 17821
578 1 2 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.819 -1.919 17821
579 1 2 . 1 1 53 53 ILE H H 53 8.170 8.170 8.747 -0.577 17821
580 1 2 . 1 1 54 54 GLU N N 54 120.600 120.600 120.326 0.274 17821
581 1 2 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.904 0.126 17821
582 1 2 . 1 1 54 54 GLU C C 54 175.400 175.400 178.439 -3.039 17821
583 1 2 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.858 -3.758 17821
584 1 2 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.659 -3.659 17821
585 1 2 . 1 1 54 54 GLU H H 54 8.380 8.380 8.100 0.280 17821
586 1 2 . 1 1 55 55 ALA N N 55 120.800 120.800 121.509 -0.709 17821
587 1 2 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.031 0.089 17821
588 1 2 . 1 1 55 55 ALA C C 55 177.900 177.900 179.160 -1.260 17821
589 1 2 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.264 -3.064 17821
590 1 2 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.151 -3.051 17821
591 1 2 . 1 1 55 55 ALA H H 55 7.880 7.880 8.009 -0.129 17821
592 1 2 . 1 1 56 56 HIS N N 56 117.400 117.400 119.577 -2.177 17821
593 1 2 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.329 -0.029 17821
594 1 2 . 1 1 56 56 HIS C C 56 173.500 173.500 177.488 -3.988 17821
595 1 2 . 1 1 56 56 HIS CA C 56 57.000 57.000 60.066 -3.066 17821
596 1 2 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.445 -2.145 17821
597 1 2 . 1 1 56 56 HIS H H 56 7.640 7.640 8.658 -1.018 17821
598 1 2 . 1 1 57 57 LYS N N 57 119.200 119.200 119.224 -0.024 17821
599 1 2 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.023 -0.423 17821
600 1 2 . 1 1 57 57 LYS C C 57 176.200 176.200 179.011 -2.811 17821
601 1 2 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.892 -2.292 17821
602 1 2 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.183 -2.683 17821
603 1 2 . 1 1 57 57 LYS H H 57 7.620 7.620 8.481 -0.861 17821
604 1 2 . 1 1 58 58 GLU N N 58 118.400 118.400 119.972 -1.572 17821
605 1 2 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.085 -0.115 17821
606 1 2 . 1 1 58 58 GLU C C 58 176.200 176.200 179.113 -2.913 17821
607 1 2 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.912 -2.712 17821
608 1 2 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.367 -3.067 17821
609 1 2 . 1 1 58 58 GLU H H 58 8.490 8.490 8.310 0.180 17821
610 1 2 . 1 1 59 59 SER N N 59 116.100 116.100 116.172 -0.072 17821
611 1 2 . 1 1 59 59 SER HA H 59 4.150 4.150 4.132 0.018 17821
612 1 2 . 1 1 59 59 SER CA C 59 58.400 58.400 61.949 -3.549 17821
613 1 2 . 1 1 59 59 SER CB C 59 60.300 60.300 63.114 -2.814 17821
614 1 2 . 1 1 59 59 SER H H 59 7.790 7.790 8.270 -0.480 17821
615 1 2 . 1 1 60 60 MET N N 60 117.500 117.500 118.569 -1.069 17821
616 1 2 . 1 1 60 60 MET HA H 60 4.170 4.170 4.125 0.045 17821
617 1 2 . 1 1 60 60 MET C C 60 176.400 176.400 177.734 -1.334 17821
618 1 2 . 1 1 60 60 MET CA C 60 54.400 54.400 55.419 -1.019 17821
619 1 2 . 1 1 60 60 MET CB C 60 29.100 29.100 31.338 -2.238 17821
620 1 2 . 1 1 60 60 MET H H 60 7.880 7.880 8.057 -0.177 17821
621 1 2 . 1 1 61 61 ARG N N 61 121.300 121.300 121.166 0.134 17821
622 1 2 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.958 0.212 17821
623 1 2 . 1 1 61 61 ARG C C 61 177.500 177.500 178.794 -1.294 17821
624 1 2 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.211 -3.111 17821
625 1 2 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.053 -2.553 17821
626 1 2 . 1 1 61 61 ARG H H 61 8.290 8.290 8.375 -0.085 17821
627 1 2 . 1 1 62 62 ALA N N 62 123.200 123.200 123.517 -0.317 17821
628 1 2 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.099 -0.029 17821
629 1 2 . 1 1 62 62 ALA C C 62 176.400 176.400 178.657 -2.257 17821
630 1 2 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.392 -2.892 17821
631 1 2 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.215 -3.115 17821
632 1 2 . 1 1 62 62 ALA H H 62 7.950 7.950 7.852 0.098 17821
633 1 2 . 1 1 63 63 LEU N N 63 117.500 117.500 115.805 1.695 17821
634 1 2 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.110 0.090 17821
635 1 2 . 1 1 63 63 LEU C C 63 174.400 174.400 177.356 -2.956 17821
636 1 2 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.935 -1.035 17821
637 1 2 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.368 -0.568 17821
638 1 2 . 1 1 63 63 LEU H H 63 7.450 7.450 6.905 0.545 17821
639 1 2 . 1 1 64 64 GLY N N 64 106.300 106.300 106.230 0.070 17821
640 1 2 . 1 1 64 64 GLY C C 64 171.400 171.400 175.088 -3.688 17821
641 1 2 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.070 -3.970 17821
642 1 2 . 1 1 64 64 GLY H H 64 7.780 7.780 7.620 0.160 17821
643 1 2 . 1 1 65 65 PHE N N 65 119.800 119.800 115.200 4.600 17821
644 1 2 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.965 -0.495 17821
645 1 2 . 1 1 65 65 PHE C C 65 172.300 172.300 174.960 -2.660 17821
646 1 2 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.963 -1.063 17821
647 1 2 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.189 -2.289 17821
648 1 2 . 1 1 65 65 PHE H H 65 7.840 7.840 7.597 0.243 17821
649 1 2 . 1 1 66 66 LYS N N 66 124.000 124.000 120.743 3.257 17821
650 1 2 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.517 -0.257 17821
651 1 2 . 1 1 66 66 LYS C C 66 172.200 172.200 175.565 -3.365 17821
652 1 2 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.176 -3.976 17821
653 1 2 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.693 -4.393 17821
654 1 2 . 1 1 66 66 LYS H H 66 8.370 8.370 8.363 0.007 17821
655 1 3 . 1 1 4 4 THR N N 4 117.400 117.400 114.582 2.818 17821
656 1 3 . 1 1 4 4 THR HA H 4 4.130 4.130 4.315 -0.185 17821
657 1 3 . 1 1 4 4 THR C C 4 170.800 170.800 174.003 -3.203 17821
658 1 3 . 1 1 4 4 THR CA C 4 58.800 58.800 62.624 -3.824 17821
659 1 3 . 1 1 4 4 THR CB C 4 67.000 67.000 69.375 -2.375 17821
660 1 3 . 1 1 4 4 THR H H 4 7.980 7.980 8.255 -0.275 17821
661 1 3 . 1 1 5 5 MET N N 5 124.400 124.400 122.823 1.577 17821
662 1 3 . 1 1 5 5 MET C C 5 171.200 171.200 174.189 -2.989 17821
663 1 3 . 1 1 5 5 MET CA C 5 50.400 50.400 53.118 -2.718 17821
664 1 3 . 1 1 5 5 MET CB C 5 29.600 29.600 33.217 -3.617 17821
665 1 3 . 1 1 5 5 MET H H 5 8.250 8.250 8.435 -0.185 17821
666 1 3 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.445 -0.165 17821
667 1 3 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.529 -3.029 17821
668 1 3 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.054 -2.854 17821
669 1 3 . 1 1 7 7 GLY N N 7 109.000 109.000 110.240 -1.240 17821
670 1 3 . 1 1 7 7 GLY C C 7 171.200 171.200 174.965 -3.765 17821
671 1 3 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.154 -2.754 17821
672 1 3 . 1 1 7 7 GLY H H 7 8.360 8.360 8.635 -0.275 17821
673 1 3 . 1 1 8 8 LEU N N 8 121.700 121.700 122.711 -1.011 17821
674 1 3 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.578 -0.318 17821
675 1 3 . 1 1 8 8 LEU C C 8 174.600 174.600 176.039 -1.439 17821
676 1 3 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.614 -2.313 17821
677 1 3 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.532 -0.132 17821
678 1 3 . 1 1 8 8 LEU H H 8 7.920 7.920 8.193 -0.273 17821
679 1 3 . 1 1 9 9 VAL N N 9 120.900 120.900 117.116 3.784 17821
680 1 3 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.538 -0.558 17821
681 1 3 . 1 1 9 9 VAL C C 9 172.900 172.900 174.529 -1.629 17821
682 1 3 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.916 -1.516 17821
683 1 3 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.812 -4.812 17821
684 1 3 . 1 1 9 9 VAL H H 9 8.050 8.050 7.416 0.634 17821
685 1 3 . 1 1 10 10 ASP N N 10 124.300 124.300 127.668 -3.368 17821
686 1 3 . 1 1 10 10 ASP HA H 10 4.470 4.470 5.059 -0.589 17821
687 1 3 . 1 1 10 10 ASP C C 10 173.100 173.100 175.264 -2.164 17821
688 1 3 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.312 -2.812 17821
689 1 3 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.151 -2.851 17821
690 1 3 . 1 1 10 10 ASP H H 10 8.300 8.300 8.642 -0.342 17821
691 1 3 . 1 1 11 11 SER N N 11 116.400 116.400 116.871 -0.471 17821
692 1 3 . 1 1 11 11 SER HA H 11 4.290 4.290 4.616 -0.326 17821
693 1 3 . 1 1 11 11 SER C C 11 171.200 171.200 173.755 -2.555 17821
694 1 3 . 1 1 11 11 SER CA C 11 55.500 55.500 57.826 -2.326 17821
695 1 3 . 1 1 11 11 SER CB C 11 60.900 60.900 63.885 -2.985 17821
696 1 3 . 1 1 11 11 SER H H 11 8.130 8.130 8.524 -0.394 17821
697 1 3 . 1 1 12 12 ASN N N 12 121.600 121.600 122.034 -0.434 17821
698 1 3 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.945 -0.715 17821
699 1 3 . 1 1 12 12 ASN C C 12 170.000 170.000 173.928 -3.928 17821
700 1 3 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.260 4.240 17821
701 1 3 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.592 -2.592 17821
702 1 3 . 1 1 12 12 ASN H H 12 8.360 8.360 7.971 0.389 17821
703 1 3 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.513 -0.223 17821
704 1 3 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.627 -2.327 17821
705 1 3 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.190 -2.990 17821
706 1 3 . 1 1 14 14 ALA N N 14 125.700 125.700 126.261 -0.561 17821
707 1 3 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.378 0.032 17821
708 1 3 . 1 1 14 14 ALA C C 14 172.200 172.200 176.738 -4.538 17821
709 1 3 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.931 -3.431 17821
710 1 3 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.822 -3.722 17821
711 1 3 . 1 1 14 14 ALA H H 14 8.260 8.260 8.279 -0.019 17821
712 1 3 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.576 -0.296 17821
713 1 3 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.008 -2.508 17821
714 1 3 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.414 -3.214 17821
715 1 3 . 1 1 17 17 GLU N N 17 120.600 120.600 118.511 2.089 17821
716 1 3 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.360 -0.240 17821
717 1 3 . 1 1 17 17 GLU C C 17 173.900 173.900 176.315 -2.415 17821
718 1 3 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.526 -2.426 17821
719 1 3 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.261 -3.161 17821
720 1 3 . 1 1 17 17 GLU H H 17 8.550 8.550 8.646 -0.096 17821
721 1 3 . 1 1 18 18 SER N N 18 116.400 116.400 117.867 -1.467 17821
722 1 3 . 1 1 18 18 SER HA H 18 4.310 4.310 4.620 -0.310 17821
723 1 3 . 1 1 18 18 SER C C 18 171.900 171.900 174.191 -2.291 17821
724 1 3 . 1 1 18 18 SER CA C 18 55.600 55.600 58.075 -2.475 17821
725 1 3 . 1 1 18 18 SER CB C 18 60.800 60.800 63.456 -2.656 17821
726 1 3 . 1 1 18 18 SER H H 18 8.240 8.240 8.235 0.005 17821
727 1 3 . 1 1 19 19 GLN N N 19 122.300 122.300 122.649 -0.349 17821
728 1 3 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.492 -0.292 17821
729 1 3 . 1 1 19 19 GLN C C 19 173.100 173.100 174.930 -1.830 17821
730 1 3 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.846 -2.846 17821
731 1 3 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.802 -3.301 17821
732 1 3 . 1 1 19 19 GLN H H 19 8.310 8.310 8.700 -0.390 17821
733 1 3 . 1 1 20 20 GLU N N 20 121.600 121.600 120.582 1.018 17821
734 1 3 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.625 -0.335 17821
735 1 3 . 1 1 20 20 GLU C C 20 173.500 173.500 175.715 -2.215 17821
736 1 3 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.945 -2.045 17821
737 1 3 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.917 -3.517 17821
738 1 3 . 1 1 20 20 GLU H H 20 8.240 8.240 8.117 0.123 17821
739 1 3 . 1 1 21 21 LYS N N 21 122.900 122.900 121.791 1.109 17821
740 1 3 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.357 -0.177 17821
741 1 3 . 1 1 21 21 LYS C C 21 173.400 173.400 175.241 -1.841 17821
742 1 3 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.877 -2.576 17821
743 1 3 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.969 -4.169 17821
744 1 3 . 1 1 21 21 LYS H H 21 8.260 8.260 8.439 -0.179 17821
745 1 3 . 1 1 22 22 LYS N N 22 124.000 124.000 126.062 -2.062 17821
746 1 3 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.381 0.069 17821
747 1 3 . 1 1 22 22 LYS C C 22 171.500 171.500 175.166 -3.666 17821
748 1 3 . 1 1 22 22 LYS CA C 22 51.200 51.200 55.336 -4.136 17821
749 1 3 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.498 -2.998 17821
750 1 3 . 1 1 22 22 LYS H H 22 8.220 8.220 8.358 -0.138 17821
751 1 3 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.383 -0.093 17821
752 1 3 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.436 -2.336 17821
753 1 3 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.277 -3.077 17821
754 1 3 . 1 1 24 24 LEU N N 24 122.700 122.700 122.577 0.123 17821
755 1 3 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.458 -0.298 17821
756 1 3 . 1 1 24 24 LEU C C 24 174.400 174.400 176.652 -2.252 17821
757 1 3 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.849 -2.450 17821
758 1 3 . 1 1 24 24 LEU CB C 24 39.600 39.600 40.607 -1.007 17821
759 1 3 . 1 1 24 24 LEU H H 24 8.270 8.270 8.388 -0.118 17821
760 1 3 . 1 1 25 25 LYS N N 25 123.400 123.400 125.714 -2.314 17821
761 1 3 . 1 1 25 25 LYS C C 25 171.600 171.600 174.204 -2.604 17821
762 1 3 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.795 -2.895 17821
763 1 3 . 1 1 25 25 LYS CB C 25 29.800 29.800 31.985 -2.185 17821
764 1 3 . 1 1 25 25 LYS H H 25 8.180 8.180 8.352 -0.172 17821
765 1 3 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.796 -13.796 17821
766 1 3 . 1 1 28 28 CYS CB C 28 31.000 31.000 24.626 6.374 17821
767 1 3 . 1 1 29 29 ALA N N 29 123.800 123.800 121.468 2.332 17821
768 1 3 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.759 -0.609 17821
769 1 3 . 1 1 29 29 ALA C C 29 173.200 173.200 175.203 -2.003 17821
770 1 3 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.429 -1.729 17821
771 1 3 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.944 -4.344 17821
772 1 3 . 1 1 29 29 ALA H H 29 8.050 8.050 7.635 0.415 17821
773 1 3 . 1 1 30 30 SER N N 30 112.800 112.800 115.734 -2.934 17821
774 1 3 . 1 1 30 30 SER HA H 30 4.580 4.580 5.011 -0.431 17821
775 1 3 . 1 1 30 30 SER C C 30 173.300 173.300 174.088 -0.788 17821
776 1 3 . 1 1 30 30 SER CA C 30 52.600 52.600 55.002 -2.402 17821
777 1 3 . 1 1 30 30 SER CB C 30 59.400 59.400 63.364 -3.963 17821
778 1 3 . 1 1 30 30 SER H H 30 8.270 8.270 8.741 -0.471 17821
779 1 3 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.199 -0.039 17821
780 1 3 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.300 -3.500 17821
781 1 3 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.991 -2.691 17821
782 1 3 . 1 1 32 32 GLU N N 32 119.100 119.100 118.276 0.824 17821
783 1 3 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.115 -0.055 17821
784 1 3 . 1 1 32 32 GLU C C 32 177.300 177.300 178.654 -1.354 17821
785 1 3 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.890 -2.990 17821
786 1 3 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.556 -2.557 17821
787 1 3 . 1 1 32 32 GLU H H 32 8.720 8.720 8.851 -0.131 17821
788 1 3 . 1 1 33 33 THR N N 33 110.800 110.800 113.127 -2.327 17821
789 1 3 . 1 1 33 33 THR HA H 33 4.040 4.040 4.071 -0.031 17821
790 1 3 . 1 1 33 33 THR C C 33 176.000 176.000 176.484 -0.484 17821
791 1 3 . 1 1 33 33 THR CA C 33 61.700 61.700 65.578 -3.878 17821
792 1 3 . 1 1 33 33 THR CB C 33 64.100 64.100 68.711 -4.611 17821
793 1 3 . 1 1 33 33 THR H H 33 7.620 7.620 7.688 -0.068 17821
794 1 3 . 1 1 34 34 LYS N N 34 127.100 127.100 122.611 4.489 17821
795 1 3 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.832 -0.912 17821
796 1 3 . 1 1 34 34 LYS C C 34 174.300 174.300 178.774 -4.474 17821
797 1 3 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.767 -2.467 17821
798 1 3 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.542 -2.542 17821
799 1 3 . 1 1 34 34 LYS H H 34 7.740 7.740 8.312 -0.572 17821
800 1 3 . 1 1 35 35 LYS N N 35 118.500 118.500 118.496 0.004 17821
801 1 3 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.077 -0.187 17821
802 1 3 . 1 1 35 35 LYS C C 35 176.500 176.500 178.942 -2.442 17821
803 1 3 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.980 -2.280 17821
804 1 3 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.986 -2.486 17821
805 1 3 . 1 1 35 35 LYS H H 35 7.880 7.880 7.920 -0.040 17821
806 1 3 . 1 1 36 36 ALA N N 36 120.100 120.100 122.128 -2.028 17821
807 1 3 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.076 -0.036 17821
808 1 3 . 1 1 36 36 ALA C C 36 177.600 177.600 179.573 -1.973 17821
809 1 3 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.134 -3.134 17821
810 1 3 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.311 -2.911 17821
811 1 3 . 1 1 36 36 ALA H H 36 7.490 7.490 8.143 -0.653 17821
812 1 3 . 1 1 37 37 ARG N N 37 118.500 118.500 119.053 -0.553 17821
813 1 3 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.866 -0.246 17821
814 1 3 . 1 1 37 37 ARG C C 37 174.100 174.100 177.972 -3.872 17821
815 1 3 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.844 -3.244 17821
816 1 3 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.046 -2.946 17821
817 1 3 . 1 1 37 37 ARG H H 37 7.630 7.630 8.418 -0.788 17821
818 1 3 . 1 1 38 38 ASP N N 38 120.200 120.200 119.222 0.978 17821
819 1 3 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.345 -0.075 17821
820 1 3 . 1 1 38 38 ASP C C 38 175.500 175.500 178.576 -3.076 17821
821 1 3 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.171 -2.471 17821
822 1 3 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.277 -4.077 17821
823 1 3 . 1 1 38 38 ASP H H 38 8.680 8.680 8.074 0.606 17821
824 1 3 . 1 1 39 39 ALA N N 39 121.100 121.100 122.327 -1.227 17821
825 1 3 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.126 -0.116 17821
826 1 3 . 1 1 39 39 ALA C C 39 176.800 176.800 179.683 -2.883 17821
827 1 3 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.209 -3.110 17821
828 1 3 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.313 -3.113 17821
829 1 3 . 1 1 39 39 ALA H H 39 8.040 8.040 8.211 -0.171 17821
830 1 3 . 1 1 40 40 CYS N N 40 117.600 117.600 118.057 -0.457 17821
831 1 3 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.226 -0.046 17821
832 1 3 . 1 1 40 40 CYS C C 40 173.800 173.800 176.731 -2.931 17821
833 1 3 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.614 -4.714 17821
834 1 3 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.066 10.334 17821
835 1 3 . 1 1 40 40 CYS H H 40 7.340 7.340 8.091 -0.751 17821
836 1 3 . 1 1 41 41 ILE N N 41 121.500 121.500 121.183 0.317 17821
837 1 3 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.828 -0.778 17821
838 1 3 . 1 1 41 41 ILE C C 41 176.100 176.100 178.434 -2.334 17821
839 1 3 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.756 -1.356 17821
840 1 3 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.835 -2.535 17821
841 1 3 . 1 1 41 41 ILE H H 41 8.230 8.230 8.321 -0.091 17821
842 1 3 . 1 1 42 42 ILE N N 42 119.200 119.200 119.915 -0.715 17821
843 1 3 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.645 0.045 17821
844 1 3 . 1 1 42 42 ILE C C 42 174.200 174.200 177.769 -3.569 17821
845 1 3 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.969 -3.669 17821
846 1 3 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.882 -2.082 17821
847 1 3 . 1 1 42 42 ILE H H 42 7.770 7.770 8.063 -0.293 17821
848 1 3 . 1 1 43 43 GLU N N 43 118.700 118.700 119.593 -0.893 17821
849 1 3 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.189 -0.139 17821
850 1 3 . 1 1 43 43 GLU C C 43 175.300 175.300 177.804 -2.504 17821
851 1 3 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.819 -2.519 17821
852 1 3 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.300 -2.100 17821
853 1 3 . 1 1 43 43 GLU H H 43 7.600 7.600 7.870 -0.270 17821
854 1 3 . 1 1 44 44 LYS N N 44 114.600 114.600 114.792 -0.192 17821
855 1 3 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.550 -0.100 17821
856 1 3 . 1 1 44 44 LYS C C 44 174.500 174.500 175.836 -1.336 17821
857 1 3 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.305 -2.505 17821
858 1 3 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.599 -2.899 17821
859 1 3 . 1 1 44 44 LYS H H 44 8.860 8.860 8.474 0.386 17821
860 1 3 . 1 1 45 45 GLY N N 45 108.700 108.700 108.711 -0.011 17821
861 1 3 . 1 1 45 45 GLY C C 45 171.000 171.000 174.715 -3.715 17821
862 1 3 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.483 -3.183 17821
863 1 3 . 1 1 45 45 GLY H H 45 7.690 7.690 7.641 0.049 17821
864 1 3 . 1 1 46 46 GLU N N 46 120.800 120.800 122.514 -1.714 17821
865 1 3 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.843 -0.403 17821
866 1 3 . 1 1 46 46 GLU C C 46 175.800 175.800 178.047 -2.247 17821
867 1 3 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.702 -1.402 17821
868 1 3 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.589 -2.489 17821
869 1 3 . 1 1 46 46 GLU H H 46 8.900 8.900 8.856 0.044 17821
870 1 3 . 1 1 47 47 GLU N N 47 118.700 118.700 117.070 1.630 17821
871 1 3 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.009 -0.069 17821
872 1 3 . 1 1 47 47 GLU C C 47 174.300 174.300 177.458 -3.158 17821
873 1 3 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.639 -1.739 17821
874 1 3 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.623 -3.123 17821
875 1 3 . 1 1 47 47 GLU H H 47 9.530 9.530 8.664 0.866 17821
876 1 3 . 1 1 48 48 HIS N N 48 117.500 117.500 114.578 2.922 17821
877 1 3 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.830 0.040 17821
878 1 3 . 1 1 48 48 HIS C C 48 173.300 173.300 175.249 -1.949 17821
879 1 3 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.758 -2.658 17821
880 1 3 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.934 -2.034 17821
881 1 3 . 1 1 48 48 HIS H H 48 7.500 7.500 7.549 -0.049 17821
882 1 3 . 1 1 49 49 CYS N N 49 116.100 116.100 119.514 -3.414 17821
883 1 3 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.816 0.234 17821
884 1 3 . 1 1 49 49 CYS C C 49 173.700 173.700 175.535 -1.835 17821
885 1 3 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.731 -6.031 17821
886 1 3 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.594 11.906 17821
887 1 3 . 1 1 49 49 CYS H H 49 7.460 7.460 7.645 -0.185 17821
888 1 3 . 1 1 50 50 GLY N N 50 112.900 112.900 109.836 3.064 17821
889 1 3 . 1 1 50 50 GLY C C 50 172.500 172.500 175.220 -2.720 17821
890 1 3 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.395 -2.095 17821
891 1 3 . 1 1 50 50 GLY H H 50 9.150 9.150 8.591 0.559 17821
892 1 3 . 1 1 51 51 HIS C C 51 175.400 175.400 177.020 -1.620 17821
893 1 3 . 1 1 51 51 HIS CA C 51 56.400 56.400 57.892 -1.492 17821
894 1 3 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.754 -3.754 17821
895 1 3 . 1 1 52 52 LEU N N 52 122.000 122.000 121.988 0.012 17821
896 1 3 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.140 -0.030 17821
897 1 3 . 1 1 52 52 LEU C C 52 177.700 177.700 178.265 -0.565 17821
898 1 3 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.198 -3.398 17821
899 1 3 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.197 -1.697 17821
900 1 3 . 1 1 52 52 LEU H H 52 6.810 6.810 7.763 -0.953 17821
901 1 3 . 1 1 53 53 ILE N N 53 124.200 124.200 120.146 4.054 17821
902 1 3 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.594 -0.164 17821
903 1 3 . 1 1 53 53 ILE C C 53 176.100 176.100 178.197 -2.097 17821
904 1 3 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.974 -2.774 17821
905 1 3 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.831 -1.931 17821
906 1 3 . 1 1 53 53 ILE H H 53 8.170 8.170 8.354 -0.184 17821
907 1 3 . 1 1 54 54 GLU N N 54 120.600 120.600 120.414 0.186 17821
908 1 3 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.874 0.156 17821
909 1 3 . 1 1 54 54 GLU C C 54 175.400 175.400 178.355 -2.955 17821
910 1 3 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.935 -3.835 17821
911 1 3 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.666 -3.666 17821
912 1 3 . 1 1 54 54 GLU H H 54 8.380 8.380 8.060 0.320 17821
913 1 3 . 1 1 55 55 ALA N N 55 120.800 120.800 121.694 -0.894 17821
914 1 3 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.999 0.121 17821
915 1 3 . 1 1 55 55 ALA C C 55 177.900 177.900 179.315 -1.415 17821
916 1 3 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.340 -3.140 17821
917 1 3 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.101 -3.001 17821
918 1 3 . 1 1 55 55 ALA H H 55 7.880 7.880 7.970 -0.090 17821
919 1 3 . 1 1 56 56 HIS N N 56 117.400 117.400 119.036 -1.636 17821
920 1 3 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.266 0.034 17821
921 1 3 . 1 1 56 56 HIS C C 56 173.500 173.500 177.448 -3.948 17821
922 1 3 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.723 -2.723 17821
923 1 3 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.345 -2.045 17821
924 1 3 . 1 1 56 56 HIS H H 56 7.640 7.640 8.382 -0.742 17821
925 1 3 . 1 1 57 57 LYS N N 57 119.200 119.200 118.995 0.205 17821
926 1 3 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.957 -0.357 17821
927 1 3 . 1 1 57 57 LYS C C 57 176.200 176.200 178.856 -2.656 17821
928 1 3 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.572 -1.972 17821
929 1 3 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.247 -2.747 17821
930 1 3 . 1 1 57 57 LYS H H 57 7.620 7.620 8.295 -0.675 17821
931 1 3 . 1 1 58 58 GLU N N 58 118.400 118.400 120.402 -2.002 17821
932 1 3 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.023 -0.053 17821
933 1 3 . 1 1 58 58 GLU C C 58 176.200 176.200 178.953 -2.753 17821
934 1 3 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.998 -2.798 17821
935 1 3 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.272 -2.972 17821
936 1 3 . 1 1 58 58 GLU H H 58 8.490 8.490 8.609 -0.119 17821
937 1 3 . 1 1 59 59 SER N N 59 116.100 116.100 115.990 0.110 17821
938 1 3 . 1 1 59 59 SER HA H 59 4.150 4.150 4.139 0.011 17821
939 1 3 . 1 1 59 59 SER CA C 59 58.400 58.400 61.582 -3.182 17821
940 1 3 . 1 1 59 59 SER CB C 59 60.300 60.300 63.138 -2.838 17821
941 1 3 . 1 1 59 59 SER H H 59 7.790 7.790 8.071 -0.281 17821
942 1 3 . 1 1 60 60 MET N N 60 117.500 117.500 120.922 -3.422 17821
943 1 3 . 1 1 60 60 MET HA H 60 4.170 4.170 3.804 0.366 17821
944 1 3 . 1 1 60 60 MET C C 60 176.400 176.400 177.692 -1.292 17821
945 1 3 . 1 1 60 60 MET CA C 60 54.400 54.400 57.151 -2.751 17821
946 1 3 . 1 1 60 60 MET CB C 60 29.100 29.100 31.922 -2.822 17821
947 1 3 . 1 1 60 60 MET H H 60 7.880 7.880 8.088 -0.208 17821
948 1 3 . 1 1 61 61 ARG N N 61 121.300 121.300 119.616 1.684 17821
949 1 3 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.913 0.257 17821
950 1 3 . 1 1 61 61 ARG C C 61 177.500 177.500 178.383 -0.883 17821
951 1 3 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.872 -2.772 17821
952 1 3 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.073 -2.573 17821
953 1 3 . 1 1 61 61 ARG H H 61 8.290 8.290 8.177 0.113 17821
954 1 3 . 1 1 62 62 ALA N N 62 123.200 123.200 121.537 1.663 17821
955 1 3 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.109 -0.039 17821
956 1 3 . 1 1 62 62 ALA C C 62 176.400 176.400 179.510 -3.110 17821
957 1 3 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.164 -2.664 17821
958 1 3 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.361 -3.261 17821
959 1 3 . 1 1 62 62 ALA H H 62 7.950 7.950 7.591 0.359 17821
960 1 3 . 1 1 63 63 LEU N N 63 117.500 117.500 115.581 1.919 17821
961 1 3 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.150 0.050 17821
962 1 3 . 1 1 63 63 LEU C C 63 174.400 174.400 177.825 -3.425 17821
963 1 3 . 1 1 63 63 LEU CA C 63 52.900 52.900 55.092 -2.192 17821
964 1 3 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.942 -2.142 17821
965 1 3 . 1 1 63 63 LEU H H 63 7.450 7.450 7.366 0.084 17821
966 1 3 . 1 1 64 64 GLY N N 64 106.300 106.300 105.437 0.863 17821
967 1 3 . 1 1 64 64 GLY C C 64 171.400 171.400 175.271 -3.871 17821
968 1 3 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.846 -3.746 17821
969 1 3 . 1 1 64 64 GLY H H 64 7.780 7.780 7.613 0.167 17821
970 1 3 . 1 1 65 65 PHE N N 65 119.800 119.800 117.329 2.471 17821
971 1 3 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.854 -0.384 17821
972 1 3 . 1 1 65 65 PHE C C 65 172.300 172.300 175.856 -3.556 17821
973 1 3 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.470 -1.570 17821
974 1 3 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.791 -1.891 17821
975 1 3 . 1 1 65 65 PHE H H 65 7.840 7.840 7.708 0.132 17821
976 1 3 . 1 1 66 66 LYS N N 66 124.000 124.000 121.197 2.803 17821
977 1 3 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.355 -0.095 17821
978 1 3 . 1 1 66 66 LYS C C 66 172.200 172.200 175.746 -3.546 17821
979 1 3 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.044 -3.844 17821
980 1 3 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.473 -4.173 17821
981 1 3 . 1 1 66 66 LYS H H 66 8.370 8.370 8.055 0.315 17821
982 1 4 . 1 1 4 4 THR N N 4 117.400 117.400 120.517 -3.117 17821
983 1 4 . 1 1 4 4 THR HA H 4 4.130 4.130 4.471 -0.341 17821
984 1 4 . 1 1 4 4 THR C C 4 170.800 170.800 172.906 -2.106 17821
985 1 4 . 1 1 4 4 THR CA C 4 58.800 58.800 61.528 -2.728 17821
986 1 4 . 1 1 4 4 THR CB C 4 67.000 67.000 70.231 -3.231 17821
987 1 4 . 1 1 4 4 THR H H 4 7.980 7.980 7.907 0.073 17821
988 1 4 . 1 1 5 5 MET N N 5 124.400 124.400 123.481 0.919 17821
989 1 4 . 1 1 5 5 MET C C 5 171.200 171.200 174.565 -3.365 17821
990 1 4 . 1 1 5 5 MET CA C 5 50.400 50.400 53.425 -3.025 17821
991 1 4 . 1 1 5 5 MET CB C 5 29.600 29.600 32.850 -3.250 17821
992 1 4 . 1 1 5 5 MET H H 5 8.250 8.250 8.336 -0.086 17821
993 1 4 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.522 -0.242 17821
994 1 4 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.605 -2.105 17821
995 1 4 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.525 -3.325 17821
996 1 4 . 1 1 7 7 GLY N N 7 109.000 109.000 108.595 0.405 17821
997 1 4 . 1 1 7 7 GLY C C 7 171.200 171.200 175.701 -4.501 17821
998 1 4 . 1 1 7 7 GLY CA C 7 42.400 42.400 46.057 -3.657 17821
999 1 4 . 1 1 7 7 GLY H H 7 8.360 8.360 8.693 -0.333 17821
1000 1 4 . 1 1 8 8 LEU N N 8 121.700 121.700 121.197 0.503 17821
1001 1 4 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.603 -0.343 17821
1002 1 4 . 1 1 8 8 LEU C C 8 174.600 174.600 175.924 -1.324 17821
1003 1 4 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.962 -2.662 17821
1004 1 4 . 1 1 8 8 LEU CB C 8 39.400 39.400 41.514 -2.114 17821
1005 1 4 . 1 1 8 8 LEU H H 8 7.920 7.920 7.682 0.238 17821
1006 1 4 . 1 1 9 9 VAL N N 9 120.900 120.900 115.982 4.918 17821
1007 1 4 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.438 -0.458 17821
1008 1 4 . 1 1 9 9 VAL C C 9 172.900 172.900 174.581 -1.681 17821
1009 1 4 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.765 -1.365 17821
1010 1 4 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.550 -3.550 17821
1011 1 4 . 1 1 9 9 VAL H H 9 8.050 8.050 7.233 0.817 17821
1012 1 4 . 1 1 10 10 ASP N N 10 124.300 124.300 124.508 -0.208 17821
1013 1 4 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.800 -0.330 17821
1014 1 4 . 1 1 10 10 ASP C C 10 173.100 173.100 175.417 -2.317 17821
1015 1 4 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.982 -2.482 17821
1016 1 4 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.900 -3.600 17821
1017 1 4 . 1 1 10 10 ASP H H 10 8.300 8.300 8.456 -0.156 17821
1018 1 4 . 1 1 11 11 SER N N 11 116.400 116.400 116.803 -0.403 17821
1019 1 4 . 1 1 11 11 SER HA H 11 4.290 4.290 4.115 0.175 17821
1020 1 4 . 1 1 11 11 SER C C 11 171.200 171.200 173.445 -2.245 17821
1021 1 4 . 1 1 11 11 SER CA C 11 55.500 55.500 58.629 -3.129 17821
1022 1 4 . 1 1 11 11 SER CB C 11 60.900 60.900 63.780 -2.880 17821
1023 1 4 . 1 1 11 11 SER H H 11 8.130 8.130 8.514 -0.384 17821
1024 1 4 . 1 1 12 12 ASN N N 12 121.600 121.600 121.971 -0.371 17821
1025 1 4 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.892 -0.662 17821
1026 1 4 . 1 1 12 12 ASN C C 12 170.000 170.000 173.995 -3.995 17821
1027 1 4 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.008 4.492 17821
1028 1 4 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.181 -3.181 17821
1029 1 4 . 1 1 12 12 ASN H H 12 8.360 8.360 8.462 -0.102 17821
1030 1 4 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.369 -0.079 17821
1031 1 4 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.200 -2.900 17821
1032 1 4 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.071 -2.871 17821
1033 1 4 . 1 1 14 14 ALA N N 14 125.700 125.700 120.590 5.110 17821
1034 1 4 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.111 0.299 17821
1035 1 4 . 1 1 14 14 ALA C C 14 172.200 172.200 175.820 -3.620 17821
1036 1 4 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.885 -4.385 17821
1037 1 4 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.514 -2.414 17821
1038 1 4 . 1 1 14 14 ALA H H 14 8.260 8.260 8.353 -0.093 17821
1039 1 4 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.505 -0.225 17821
1040 1 4 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.413 -2.913 17821
1041 1 4 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.110 -2.910 17821
1042 1 4 . 1 1 17 17 GLU N N 17 120.600 120.600 121.836 -1.236 17821
1043 1 4 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.547 -0.427 17821
1044 1 4 . 1 1 17 17 GLU C C 17 173.900 173.900 174.711 -0.811 17821
1045 1 4 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.045 -0.945 17821
1046 1 4 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.100 -4.000 17821
1047 1 4 . 1 1 17 17 GLU H H 17 8.550 8.550 8.456 0.094 17821
1048 1 4 . 1 1 18 18 SER N N 18 116.400 116.400 115.418 0.982 17821
1049 1 4 . 1 1 18 18 SER HA H 18 4.310 4.310 4.399 -0.089 17821
1050 1 4 . 1 1 18 18 SER C C 18 171.900 171.900 173.948 -2.048 17821
1051 1 4 . 1 1 18 18 SER CA C 18 55.600 55.600 58.079 -2.479 17821
1052 1 4 . 1 1 18 18 SER CB C 18 60.800 60.800 63.892 -3.092 17821
1053 1 4 . 1 1 18 18 SER H H 18 8.240 8.240 8.342 -0.102 17821
1054 1 4 . 1 1 19 19 GLN N N 19 122.300 122.300 121.019 1.281 17821
1055 1 4 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.590 -0.390 17821
1056 1 4 . 1 1 19 19 GLN C C 19 173.100 173.100 174.814 -1.714 17821
1057 1 4 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.173 -2.173 17821
1058 1 4 . 1 1 19 19 GLN CB C 19 26.500 26.500 30.467 -3.967 17821
1059 1 4 . 1 1 19 19 GLN H H 19 8.310 8.310 8.377 -0.067 17821
1060 1 4 . 1 1 20 20 GLU N N 20 121.600 121.600 121.445 0.155 17821
1061 1 4 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.475 -0.185 17821
1062 1 4 . 1 1 20 20 GLU C C 20 173.500 173.500 175.537 -2.037 17821
1063 1 4 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.439 -2.539 17821
1064 1 4 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.855 -3.455 17821
1065 1 4 . 1 1 20 20 GLU H H 20 8.240 8.240 8.444 -0.204 17821
1066 1 4 . 1 1 21 21 LYS N N 21 122.900 122.900 122.708 0.192 17821
1067 1 4 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.526 -0.346 17821
1068 1 4 . 1 1 21 21 LYS C C 21 173.400 173.400 176.154 -2.754 17821
1069 1 4 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.972 -2.672 17821
1070 1 4 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.391 -3.591 17821
1071 1 4 . 1 1 21 21 LYS H H 21 8.260 8.260 8.415 -0.155 17821
1072 1 4 . 1 1 22 22 LYS N N 22 124.000 124.000 122.971 1.029 17821
1073 1 4 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.741 -0.291 17821
1074 1 4 . 1 1 22 22 LYS C C 22 171.500 171.500 174.838 -3.338 17821
1075 1 4 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.507 -3.307 17821
1076 1 4 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.797 -2.297 17821
1077 1 4 . 1 1 22 22 LYS H H 22 8.220 8.220 8.451 -0.231 17821
1078 1 4 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.542 -0.252 17821
1079 1 4 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.038 -2.938 17821
1080 1 4 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.187 -2.987 17821
1081 1 4 . 1 1 24 24 LEU N N 24 122.700 122.700 119.105 3.595 17821
1082 1 4 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.747 -0.587 17821
1083 1 4 . 1 1 24 24 LEU C C 24 174.400 174.400 176.154 -1.754 17821
1084 1 4 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.282 -1.882 17821
1085 1 4 . 1 1 24 24 LEU CB C 24 39.600 39.600 43.000 -3.400 17821
1086 1 4 . 1 1 24 24 LEU H H 24 8.270 8.270 8.150 0.120 17821
1087 1 4 . 1 1 25 25 LYS N N 25 123.400 123.400 122.524 0.876 17821
1088 1 4 . 1 1 25 25 LYS C C 25 171.600 171.600 174.695 -3.095 17821
1089 1 4 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.961 -3.061 17821
1090 1 4 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.889 -3.089 17821
1091 1 4 . 1 1 25 25 LYS H H 25 8.180 8.180 8.494 -0.314 17821
1092 1 4 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.313 -13.313 17821
1093 1 4 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.850 2.150 17821
1094 1 4 . 1 1 29 29 ALA N N 29 123.800 123.800 128.459 -4.659 17821
1095 1 4 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.595 -0.445 17821
1096 1 4 . 1 1 29 29 ALA C C 29 173.200 173.200 175.788 -2.588 17821
1097 1 4 . 1 1 29 29 ALA CA C 29 49.700 49.700 52.276 -2.576 17821
1098 1 4 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.166 -3.567 17821
1099 1 4 . 1 1 29 29 ALA H H 29 8.050 8.050 8.173 -0.123 17821
1100 1 4 . 1 1 30 30 SER N N 30 112.800 112.800 113.026 -0.226 17821
1101 1 4 . 1 1 30 30 SER HA H 30 4.580 4.580 4.864 -0.284 17821
1102 1 4 . 1 1 30 30 SER C C 30 173.300 173.300 173.916 -0.616 17821
1103 1 4 . 1 1 30 30 SER CA C 30 52.600 52.600 56.533 -3.933 17821
1104 1 4 . 1 1 30 30 SER CB C 30 59.400 59.400 62.766 -3.366 17821
1105 1 4 . 1 1 30 30 SER H H 30 8.270 8.270 8.433 -0.163 17821
1106 1 4 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.277 -0.117 17821
1107 1 4 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.878 -3.078 17821
1108 1 4 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.909 -2.609 17821
1109 1 4 . 1 1 32 32 GLU N N 32 119.100 119.100 117.875 1.225 17821
1110 1 4 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.063 -0.003 17821
1111 1 4 . 1 1 32 32 GLU C C 32 177.300 177.300 178.660 -1.360 17821
1112 1 4 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.735 -2.835 17821
1113 1 4 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.627 -2.627 17821
1114 1 4 . 1 1 32 32 GLU H H 32 8.720 8.720 8.990 -0.270 17821
1115 1 4 . 1 1 33 33 THR N N 33 110.800 110.800 112.915 -2.115 17821
1116 1 4 . 1 1 33 33 THR HA H 33 4.040 4.040 4.088 -0.048 17821
1117 1 4 . 1 1 33 33 THR C C 33 176.000 176.000 176.495 -0.495 17821
1118 1 4 . 1 1 33 33 THR CA C 33 61.700 61.700 65.829 -4.129 17821
1119 1 4 . 1 1 33 33 THR CB C 33 64.100 64.100 68.797 -4.697 17821
1120 1 4 . 1 1 33 33 THR H H 33 7.620 7.620 7.920 -0.300 17821
1121 1 4 . 1 1 34 34 LYS N N 34 127.100 127.100 122.863 4.237 17821
1122 1 4 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.866 -0.946 17821
1123 1 4 . 1 1 34 34 LYS C C 34 174.300 174.300 178.563 -4.263 17821
1124 1 4 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.671 -2.371 17821
1125 1 4 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.474 -2.474 17821
1126 1 4 . 1 1 34 34 LYS H H 34 7.740 7.740 7.593 0.147 17821
1127 1 4 . 1 1 35 35 LYS N N 35 118.500 118.500 118.612 -0.112 17821
1128 1 4 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.059 -0.169 17821
1129 1 4 . 1 1 35 35 LYS C C 35 176.500 176.500 178.979 -2.479 17821
1130 1 4 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.142 -2.442 17821
1131 1 4 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.997 -2.497 17821
1132 1 4 . 1 1 35 35 LYS H H 35 7.880 7.880 8.329 -0.449 17821
1133 1 4 . 1 1 36 36 ALA N N 36 120.100 120.100 121.783 -1.683 17821
1134 1 4 . 1 1 36 36 ALA HA H 36 4.040 4.040 3.996 0.044 17821
1135 1 4 . 1 1 36 36 ALA C C 36 177.600 177.600 179.061 -1.461 17821
1136 1 4 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.124 -3.124 17821
1137 1 4 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.499 -3.099 17821
1138 1 4 . 1 1 36 36 ALA H H 36 7.490 7.490 8.163 -0.673 17821
1139 1 4 . 1 1 37 37 ARG N N 37 118.500 118.500 119.574 -1.074 17821
1140 1 4 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.896 -0.276 17821
1141 1 4 . 1 1 37 37 ARG C C 37 174.100 174.100 177.857 -3.757 17821
1142 1 4 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.854 -3.254 17821
1143 1 4 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.106 -3.006 17821
1144 1 4 . 1 1 37 37 ARG H H 37 7.630 7.630 8.330 -0.700 17821
1145 1 4 . 1 1 38 38 ASP N N 38 120.200 120.200 119.314 0.886 17821
1146 1 4 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.334 -0.064 17821
1147 1 4 . 1 1 38 38 ASP C C 38 175.500 175.500 178.521 -3.021 17821
1148 1 4 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.402 -2.702 17821
1149 1 4 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.472 -4.272 17821
1150 1 4 . 1 1 38 38 ASP H H 38 8.680 8.680 8.215 0.465 17821
1151 1 4 . 1 1 39 39 ALA N N 39 121.100 121.100 122.444 -1.344 17821
1152 1 4 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.094 -0.084 17821
1153 1 4 . 1 1 39 39 ALA C C 39 176.800 176.800 179.454 -2.654 17821
1154 1 4 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.321 -3.220 17821
1155 1 4 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.240 -3.040 17821
1156 1 4 . 1 1 39 39 ALA H H 39 8.040 8.040 8.277 -0.237 17821
1157 1 4 . 1 1 40 40 CYS N N 40 117.600 117.600 118.168 -0.568 17821
1158 1 4 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.147 0.033 17821
1159 1 4 . 1 1 40 40 CYS C C 40 173.800 173.800 177.004 -3.204 17821
1160 1 4 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.786 -4.886 17821
1161 1 4 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.919 10.482 17821
1162 1 4 . 1 1 40 40 CYS H H 40 7.340 7.340 7.969 -0.629 17821
1163 1 4 . 1 1 41 41 ILE N N 41 121.500 121.500 121.085 0.415 17821
1164 1 4 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.839 -0.789 17821
1165 1 4 . 1 1 41 41 ILE C C 41 176.100 176.100 178.423 -2.323 17821
1166 1 4 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.551 -1.151 17821
1167 1 4 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.577 -2.277 17821
1168 1 4 . 1 1 41 41 ILE H H 41 8.230 8.230 8.551 -0.321 17821
1169 1 4 . 1 1 42 42 ILE N N 42 119.200 119.200 120.003 -0.803 17821
1170 1 4 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.720 -0.030 17821
1171 1 4 . 1 1 42 42 ILE C C 42 174.200 174.200 177.949 -3.749 17821
1172 1 4 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.246 -2.946 17821
1173 1 4 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.978 -1.179 17821
1174 1 4 . 1 1 42 42 ILE H H 42 7.770 7.770 8.009 -0.239 17821
1175 1 4 . 1 1 43 43 GLU N N 43 118.700 118.700 119.267 -0.567 17821
1176 1 4 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.143 -0.093 17821
1177 1 4 . 1 1 43 43 GLU C C 43 175.300 175.300 178.172 -2.872 17821
1178 1 4 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.942 -2.642 17821
1179 1 4 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.276 -2.076 17821
1180 1 4 . 1 1 43 43 GLU H H 43 7.600 7.600 8.290 -0.690 17821
1181 1 4 . 1 1 44 44 LYS N N 44 114.600 114.600 115.809 -1.209 17821
1182 1 4 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.526 -0.076 17821
1183 1 4 . 1 1 44 44 LYS C C 44 174.500 174.500 177.093 -2.593 17821
1184 1 4 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.284 -2.484 17821
1185 1 4 . 1 1 44 44 LYS CB C 44 32.700 32.700 34.859 -2.159 17821
1186 1 4 . 1 1 44 44 LYS H H 44 8.860 8.860 8.165 0.695 17821
1187 1 4 . 1 1 45 45 GLY N N 45 108.700 108.700 108.968 -0.268 17821
1188 1 4 . 1 1 45 45 GLY C C 45 171.000 171.000 175.052 -4.052 17821
1189 1 4 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.452 -3.152 17821
1190 1 4 . 1 1 45 45 GLY H H 45 7.690 7.690 8.009 -0.319 17821
1191 1 4 . 1 1 46 46 GLU N N 46 120.800 120.800 122.466 -1.666 17821
1192 1 4 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.769 -0.329 17821
1193 1 4 . 1 1 46 46 GLU C C 46 175.800 175.800 178.432 -2.632 17821
1194 1 4 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.844 -1.544 17821
1195 1 4 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.535 -2.435 17821
1196 1 4 . 1 1 46 46 GLU H H 46 8.900 8.900 8.933 -0.033 17821
1197 1 4 . 1 1 47 47 GLU N N 47 118.700 118.700 119.208 -0.508 17821
1198 1 4 . 1 1 47 47 GLU HA H 47 3.940 3.940 3.990 -0.050 17821
1199 1 4 . 1 1 47 47 GLU C C 47 174.300 174.300 177.974 -3.674 17821
1200 1 4 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.620 -2.720 17821
1201 1 4 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.537 -3.037 17821
1202 1 4 . 1 1 47 47 GLU H H 47 9.530 9.530 8.723 0.807 17821
1203 1 4 . 1 1 48 48 HIS N N 48 117.500 117.500 115.914 1.586 17821
1204 1 4 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.755 0.115 17821
1205 1 4 . 1 1 48 48 HIS C C 48 173.300 173.300 175.903 -2.603 17821
1206 1 4 . 1 1 48 48 HIS CA C 48 53.100 53.100 57.298 -4.198 17821
1207 1 4 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.933 -2.033 17821
1208 1 4 . 1 1 48 48 HIS H H 48 7.500 7.500 7.907 -0.407 17821
1209 1 4 . 1 1 49 49 CYS N N 49 116.100 116.100 119.376 -3.276 17821
1210 1 4 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.815 0.235 17821
1211 1 4 . 1 1 49 49 CYS C C 49 173.700 173.700 175.458 -1.758 17821
1212 1 4 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.560 -5.860 17821
1213 1 4 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.403 13.097 17821
1214 1 4 . 1 1 49 49 CYS H H 49 7.460 7.460 7.604 -0.144 17821
1215 1 4 . 1 1 50 50 GLY N N 50 112.900 112.900 109.779 3.121 17821
1216 1 4 . 1 1 50 50 GLY C C 50 172.500 172.500 175.639 -3.139 17821
1217 1 4 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.460 -2.160 17821
1218 1 4 . 1 1 50 50 GLY H H 50 9.150 9.150 8.676 0.474 17821
1219 1 4 . 1 1 51 51 HIS C C 51 175.400 175.400 177.544 -2.144 17821
1220 1 4 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.714 -2.314 17821
1221 1 4 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.683 -3.683 17821
1222 1 4 . 1 1 52 52 LEU N N 52 122.000 122.000 121.621 0.379 17821
1223 1 4 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.121 -0.011 17821
1224 1 4 . 1 1 52 52 LEU C C 52 177.700 177.700 178.656 -0.956 17821
1225 1 4 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.434 -3.634 17821
1226 1 4 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.187 -1.687 17821
1227 1 4 . 1 1 52 52 LEU H H 52 6.810 6.810 7.636 -0.826 17821
1228 1 4 . 1 1 53 53 ILE N N 53 124.200 124.200 119.986 4.214 17821
1229 1 4 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.603 -0.173 17821
1230 1 4 . 1 1 53 53 ILE C C 53 176.100 176.100 178.252 -2.152 17821
1231 1 4 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.123 -2.923 17821
1232 1 4 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.837 -1.937 17821
1233 1 4 . 1 1 53 53 ILE H H 53 8.170 8.170 8.597 -0.427 17821
1234 1 4 . 1 1 54 54 GLU N N 54 120.600 120.600 120.172 0.428 17821
1235 1 4 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.965 0.065 17821
1236 1 4 . 1 1 54 54 GLU C C 54 175.400 175.400 178.752 -3.352 17821
1237 1 4 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.884 -3.784 17821
1238 1 4 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.688 -3.688 17821
1239 1 4 . 1 1 54 54 GLU H H 54 8.380 8.380 8.146 0.234 17821
1240 1 4 . 1 1 55 55 ALA N N 55 120.800 120.800 122.052 -1.252 17821
1241 1 4 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.102 0.018 17821
1242 1 4 . 1 1 55 55 ALA C C 55 177.900 177.900 179.283 -1.383 17821
1243 1 4 . 1 1 55 55 ALA CA C 55 52.200 52.200 54.932 -2.732 17821
1244 1 4 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.289 -3.189 17821
1245 1 4 . 1 1 55 55 ALA H H 55 7.880 7.880 8.123 -0.243 17821
1246 1 4 . 1 1 56 56 HIS N N 56 117.400 117.400 119.400 -2.000 17821
1247 1 4 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.277 0.023 17821
1248 1 4 . 1 1 56 56 HIS C C 56 173.500 173.500 177.397 -3.897 17821
1249 1 4 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.977 -2.977 17821
1250 1 4 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.289 -1.989 17821
1251 1 4 . 1 1 56 56 HIS H H 56 7.640 7.640 8.553 -0.913 17821
1252 1 4 . 1 1 57 57 LYS N N 57 119.200 119.200 118.982 0.218 17821
1253 1 4 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.920 -0.320 17821
1254 1 4 . 1 1 57 57 LYS C C 57 176.200 176.200 178.965 -2.765 17821
1255 1 4 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.729 -2.129 17821
1256 1 4 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.091 -2.591 17821
1257 1 4 . 1 1 57 57 LYS H H 57 7.620 7.620 8.316 -0.696 17821
1258 1 4 . 1 1 58 58 GLU N N 58 118.400 118.400 120.148 -1.748 17821
1259 1 4 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.041 -0.071 17821
1260 1 4 . 1 1 58 58 GLU C C 58 176.200 176.200 178.907 -2.707 17821
1261 1 4 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.173 -2.973 17821
1262 1 4 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.340 -3.040 17821
1263 1 4 . 1 1 58 58 GLU H H 58 8.490 8.490 8.325 0.165 17821
1264 1 4 . 1 1 59 59 SER N N 59 116.100 116.100 115.788 0.312 17821
1265 1 4 . 1 1 59 59 SER HA H 59 4.150 4.150 4.161 -0.011 17821
1266 1 4 . 1 1 59 59 SER CA C 59 58.400 58.400 61.513 -3.113 17821
1267 1 4 . 1 1 59 59 SER CB C 59 60.300 60.300 63.214 -2.914 17821
1268 1 4 . 1 1 59 59 SER H H 59 7.790 7.790 8.106 -0.316 17821
1269 1 4 . 1 1 60 60 MET N N 60 117.500 117.500 120.399 -2.899 17821
1270 1 4 . 1 1 60 60 MET HA H 60 4.170 4.170 4.109 0.061 17821
1271 1 4 . 1 1 60 60 MET C C 60 176.400 176.400 177.815 -1.415 17821
1272 1 4 . 1 1 60 60 MET CA C 60 54.400 54.400 57.313 -2.913 17821
1273 1 4 . 1 1 60 60 MET CB C 60 29.100 29.100 31.981 -2.881 17821
1274 1 4 . 1 1 60 60 MET H H 60 7.880 7.880 8.243 -0.363 17821
1275 1 4 . 1 1 61 61 ARG N N 61 121.300 121.300 120.299 1.001 17821
1276 1 4 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.953 0.217 17821
1277 1 4 . 1 1 61 61 ARG C C 61 177.500 177.500 178.256 -0.756 17821
1278 1 4 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.133 -3.033 17821
1279 1 4 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.010 -2.510 17821
1280 1 4 . 1 1 61 61 ARG H H 61 8.290 8.290 8.183 0.107 17821
1281 1 4 . 1 1 62 62 ALA N N 62 123.200 123.200 120.831 2.369 17821
1282 1 4 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.120 -0.050 17821
1283 1 4 . 1 1 62 62 ALA C C 62 176.400 176.400 179.161 -2.761 17821
1284 1 4 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.071 -2.571 17821
1285 1 4 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.203 -3.103 17821
1286 1 4 . 1 1 62 62 ALA H H 62 7.950 7.950 7.777 0.173 17821
1287 1 4 . 1 1 63 63 LEU N N 63 117.500 117.500 116.327 1.173 17821
1288 1 4 . 1 1 63 63 LEU HA H 63 4.200 4.200 3.977 0.223 17821
1289 1 4 . 1 1 63 63 LEU C C 63 174.400 174.400 177.599 -3.199 17821
1290 1 4 . 1 1 63 63 LEU CA C 63 52.900 52.900 55.049 -2.149 17821
1291 1 4 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.163 -1.363 17821
1292 1 4 . 1 1 63 63 LEU H H 63 7.450 7.450 7.338 0.112 17821
1293 1 4 . 1 1 64 64 GLY N N 64 106.300 106.300 106.931 -0.631 17821
1294 1 4 . 1 1 64 64 GLY C C 64 171.400 171.400 175.066 -3.666 17821
1295 1 4 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.318 -3.218 17821
1296 1 4 . 1 1 64 64 GLY H H 64 7.780 7.780 7.450 0.330 17821
1297 1 4 . 1 1 65 65 PHE N N 65 119.800 119.800 116.106 3.694 17821
1298 1 4 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.861 -0.391 17821
1299 1 4 . 1 1 65 65 PHE C C 65 172.300 172.300 175.061 -2.761 17821
1300 1 4 . 1 1 65 65 PHE CA C 65 54.900 54.900 54.700 0.200 17821
1301 1 4 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.252 -1.352 17821
1302 1 4 . 1 1 65 65 PHE H H 65 7.840 7.840 7.223 0.617 17821
1303 1 4 . 1 1 66 66 LYS N N 66 124.000 124.000 121.324 2.676 17821
1304 1 4 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.459 -0.199 17821
1305 1 4 . 1 1 66 66 LYS C C 66 172.200 172.200 175.448 -3.248 17821
1306 1 4 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.956 -3.756 17821
1307 1 4 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.567 -4.267 17821
1308 1 4 . 1 1 66 66 LYS H H 66 8.370 8.370 8.287 0.083 17821
1309 1 5 . 1 1 4 4 THR N N 4 117.400 117.400 114.291 3.109 17821
1310 1 5 . 1 1 4 4 THR HA H 4 4.130 4.130 4.377 -0.247 17821
1311 1 5 . 1 1 4 4 THR C C 4 170.800 170.800 174.616 -3.816 17821
1312 1 5 . 1 1 4 4 THR CA C 4 58.800 58.800 62.150 -3.350 17821
1313 1 5 . 1 1 4 4 THR CB C 4 67.000 67.000 69.390 -2.390 17821
1314 1 5 . 1 1 4 4 THR H H 4 7.980 7.980 8.293 -0.313 17821
1315 1 5 . 1 1 5 5 MET N N 5 124.400 124.400 123.179 1.221 17821
1316 1 5 . 1 1 5 5 MET C C 5 171.200 171.200 175.122 -3.922 17821
1317 1 5 . 1 1 5 5 MET CA C 5 50.400 50.400 54.427 -4.027 17821
1318 1 5 . 1 1 5 5 MET CB C 5 29.600 29.600 32.329 -2.729 17821
1319 1 5 . 1 1 5 5 MET H H 5 8.250 8.250 8.445 -0.195 17821
1320 1 5 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.559 -0.279 17821
1321 1 5 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.952 -2.452 17821
1322 1 5 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.468 -3.268 17821
1323 1 5 . 1 1 7 7 GLY N N 7 109.000 109.000 110.449 -1.449 17821
1324 1 5 . 1 1 7 7 GLY C C 7 171.200 171.200 175.417 -4.217 17821
1325 1 5 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.292 -2.893 17821
1326 1 5 . 1 1 7 7 GLY H H 7 8.360 8.360 8.516 -0.156 17821
1327 1 5 . 1 1 8 8 LEU N N 8 121.700 121.700 121.153 0.547 17821
1328 1 5 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.300 -0.040 17821
1329 1 5 . 1 1 8 8 LEU C C 8 174.600 174.600 176.278 -1.678 17821
1330 1 5 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.401 -2.101 17821
1331 1 5 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.901 -0.501 17821
1332 1 5 . 1 1 8 8 LEU H H 8 7.920 7.920 8.433 -0.513 17821
1333 1 5 . 1 1 9 9 VAL N N 9 120.900 120.900 122.768 -1.868 17821
1334 1 5 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.132 -0.152 17821
1335 1 5 . 1 1 9 9 VAL C C 9 172.900 172.900 175.185 -2.285 17821
1336 1 5 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.238 -1.838 17821
1337 1 5 . 1 1 9 9 VAL CB C 9 30.000 30.000 31.970 -1.970 17821
1338 1 5 . 1 1 9 9 VAL H H 9 8.050 8.050 7.838 0.212 17821
1339 1 5 . 1 1 10 10 ASP N N 10 124.300 124.300 127.228 -2.928 17821
1340 1 5 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.555 -0.085 17821
1341 1 5 . 1 1 10 10 ASP C C 10 173.100 173.100 176.324 -3.224 17821
1342 1 5 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.576 -3.076 17821
1343 1 5 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.327 -3.027 17821
1344 1 5 . 1 1 10 10 ASP H H 10 8.300 8.300 8.483 -0.183 17821
1345 1 5 . 1 1 11 11 SER N N 11 116.400 116.400 119.214 -2.814 17821
1346 1 5 . 1 1 11 11 SER HA H 11 4.290 4.290 4.105 0.185 17821
1347 1 5 . 1 1 11 11 SER C C 11 171.200 171.200 173.164 -1.964 17821
1348 1 5 . 1 1 11 11 SER CA C 11 55.500 55.500 59.519 -4.019 17821
1349 1 5 . 1 1 11 11 SER CB C 11 60.900 60.900 63.225 -2.325 17821
1350 1 5 . 1 1 11 11 SER H H 11 8.130 8.130 8.377 -0.247 17821
1351 1 5 . 1 1 12 12 ASN N N 12 121.600 121.600 120.820 0.780 17821
1352 1 5 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.044 -0.814 17821
1353 1 5 . 1 1 12 12 ASN C C 12 170.000 170.000 172.819 -2.819 17821
1354 1 5 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.337 5.162 17821
1355 1 5 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.511 -3.511 17821
1356 1 5 . 1 1 12 12 ASN H H 12 8.360 8.360 8.350 0.010 17821
1357 1 5 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.494 -0.204 17821
1358 1 5 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.880 -2.579 17821
1359 1 5 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.466 -3.266 17821
1360 1 5 . 1 1 14 14 ALA N N 14 125.700 125.700 121.712 3.988 17821
1361 1 5 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.145 0.265 17821
1362 1 5 . 1 1 14 14 ALA C C 14 172.200 172.200 176.035 -3.835 17821
1363 1 5 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.770 -4.270 17821
1364 1 5 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.623 -2.523 17821
1365 1 5 . 1 1 14 14 ALA H H 14 8.260 8.260 8.248 0.012 17821
1366 1 5 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.390 -0.110 17821
1367 1 5 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.944 -3.444 17821
1368 1 5 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.216 -3.016 17821
1369 1 5 . 1 1 17 17 GLU N N 17 120.600 120.600 122.315 -1.715 17821
1370 1 5 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.412 -0.292 17821
1371 1 5 . 1 1 17 17 GLU C C 17 173.900 173.900 175.603 -1.703 17821
1372 1 5 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.450 -1.350 17821
1373 1 5 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.895 -4.795 17821
1374 1 5 . 1 1 17 17 GLU H H 17 8.550 8.550 8.350 0.200 17821
1375 1 5 . 1 1 18 18 SER N N 18 116.400 116.400 118.382 -1.982 17821
1376 1 5 . 1 1 18 18 SER HA H 18 4.310 4.310 4.327 -0.017 17821
1377 1 5 . 1 1 18 18 SER C C 18 171.900 171.900 173.857 -1.957 17821
1378 1 5 . 1 1 18 18 SER CA C 18 55.600 55.600 59.483 -3.883 17821
1379 1 5 . 1 1 18 18 SER CB C 18 60.800 60.800 63.525 -2.725 17821
1380 1 5 . 1 1 18 18 SER H H 18 8.240 8.240 8.571 -0.331 17821
1381 1 5 . 1 1 19 19 GLN N N 19 122.300 122.300 126.183 -3.883 17821
1382 1 5 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.524 -0.324 17821
1383 1 5 . 1 1 19 19 GLN C C 19 173.100 173.100 174.441 -1.341 17821
1384 1 5 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.551 -2.551 17821
1385 1 5 . 1 1 19 19 GLN CB C 19 26.500 26.500 30.505 -4.005 17821
1386 1 5 . 1 1 19 19 GLN H H 19 8.310 8.310 8.437 -0.127 17821
1387 1 5 . 1 1 20 20 GLU N N 20 121.600 121.600 122.847 -1.247 17821
1388 1 5 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.655 -0.365 17821
1389 1 5 . 1 1 20 20 GLU C C 20 173.500 173.500 175.507 -2.007 17821
1390 1 5 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.022 -2.122 17821
1391 1 5 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.917 -3.517 17821
1392 1 5 . 1 1 20 20 GLU H H 20 8.240 8.240 8.562 -0.322 17821
1393 1 5 . 1 1 21 21 LYS N N 21 122.900 122.900 121.017 1.883 17821
1394 1 5 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.437 -0.257 17821
1395 1 5 . 1 1 21 21 LYS C C 21 173.400 173.400 175.362 -1.962 17821
1396 1 5 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.900 -2.600 17821
1397 1 5 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.774 -3.974 17821
1398 1 5 . 1 1 21 21 LYS H H 21 8.260 8.260 8.326 -0.066 17821
1399 1 5 . 1 1 22 22 LYS N N 22 124.000 124.000 123.474 0.526 17821
1400 1 5 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.443 0.007 17821
1401 1 5 . 1 1 22 22 LYS C C 22 171.500 171.500 174.586 -3.086 17821
1402 1 5 . 1 1 22 22 LYS CA C 22 51.200 51.200 55.468 -4.269 17821
1403 1 5 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.709 -3.209 17821
1404 1 5 . 1 1 22 22 LYS H H 22 8.220 8.220 8.451 -0.231 17821
1405 1 5 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.349 -0.059 17821
1406 1 5 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.993 -2.893 17821
1407 1 5 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.320 -3.120 17821
1408 1 5 . 1 1 24 24 LEU N N 24 122.700 122.700 123.205 -0.505 17821
1409 1 5 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.603 -0.443 17821
1410 1 5 . 1 1 24 24 LEU C C 24 174.400 174.400 176.537 -2.137 17821
1411 1 5 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.775 -2.374 17821
1412 1 5 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.956 -3.356 17821
1413 1 5 . 1 1 24 24 LEU H H 24 8.270 8.270 8.403 -0.133 17821
1414 1 5 . 1 1 25 25 LYS N N 25 123.400 123.400 123.806 -0.406 17821
1415 1 5 . 1 1 25 25 LYS C C 25 171.600 171.600 174.207 -2.607 17821
1416 1 5 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.080 -3.180 17821
1417 1 5 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.839 -4.039 17821
1418 1 5 . 1 1 25 25 LYS H H 25 8.180 8.180 8.335 -0.155 17821
1419 1 5 . 1 1 28 28 CYS CA C 28 46.000 46.000 58.629 -12.629 17821
1420 1 5 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.349 2.651 17821
1421 1 5 . 1 1 29 29 ALA N N 29 123.800 123.800 124.233 -0.433 17821
1422 1 5 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.539 -0.389 17821
1423 1 5 . 1 1 29 29 ALA C C 29 173.200 173.200 176.645 -3.445 17821
1424 1 5 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.599 -1.899 17821
1425 1 5 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.611 -3.011 17821
1426 1 5 . 1 1 29 29 ALA H H 29 8.050 8.050 7.465 0.585 17821
1427 1 5 . 1 1 30 30 SER N N 30 112.800 112.800 114.989 -2.189 17821
1428 1 5 . 1 1 30 30 SER HA H 30 4.580 4.580 4.964 -0.384 17821
1429 1 5 . 1 1 30 30 SER C C 30 173.300 173.300 173.766 -0.466 17821
1430 1 5 . 1 1 30 30 SER CA C 30 52.600 52.600 55.740 -3.140 17821
1431 1 5 . 1 1 30 30 SER CB C 30 59.400 59.400 62.901 -3.502 17821
1432 1 5 . 1 1 30 30 SER H H 30 8.270 8.270 8.696 -0.426 17821
1433 1 5 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.204 -0.044 17821
1434 1 5 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.836 -3.036 17821
1435 1 5 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.028 -2.728 17821
1436 1 5 . 1 1 32 32 GLU N N 32 119.100 119.100 117.905 1.195 17821
1437 1 5 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.162 -0.102 17821
1438 1 5 . 1 1 32 32 GLU C C 32 177.300 177.300 178.325 -1.025 17821
1439 1 5 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.301 -2.401 17821
1440 1 5 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.863 -2.863 17821
1441 1 5 . 1 1 32 32 GLU H H 32 8.720 8.720 8.826 -0.106 17821
1442 1 5 . 1 1 33 33 THR N N 33 110.800 110.800 113.803 -3.003 17821
1443 1 5 . 1 1 33 33 THR HA H 33 4.040 4.040 4.119 -0.079 17821
1444 1 5 . 1 1 33 33 THR C C 33 176.000 176.000 176.347 -0.347 17821
1445 1 5 . 1 1 33 33 THR CA C 33 61.700 61.700 65.629 -3.929 17821
1446 1 5 . 1 1 33 33 THR CB C 33 64.100 64.100 68.896 -4.796 17821
1447 1 5 . 1 1 33 33 THR H H 33 7.620 7.620 7.883 -0.263 17821
1448 1 5 . 1 1 34 34 LYS N N 34 127.100 127.100 122.327 4.773 17821
1449 1 5 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.924 -1.004 17821
1450 1 5 . 1 1 34 34 LYS C C 34 174.300 174.300 178.600 -4.300 17821
1451 1 5 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.028 -1.728 17821
1452 1 5 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.096 -2.096 17821
1453 1 5 . 1 1 34 34 LYS H H 34 7.740 7.740 7.503 0.237 17821
1454 1 5 . 1 1 35 35 LYS N N 35 118.500 118.500 118.918 -0.418 17821
1455 1 5 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.040 -0.150 17821
1456 1 5 . 1 1 35 35 LYS C C 35 176.500 176.500 179.009 -2.509 17821
1457 1 5 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.840 -2.140 17821
1458 1 5 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.838 -2.338 17821
1459 1 5 . 1 1 35 35 LYS H H 35 7.880 7.880 8.251 -0.371 17821
1460 1 5 . 1 1 36 36 ALA N N 36 120.100 120.100 121.792 -1.692 17821
1461 1 5 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.146 -0.106 17821
1462 1 5 . 1 1 36 36 ALA C C 36 177.600 177.600 179.726 -2.126 17821
1463 1 5 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.990 -2.990 17821
1464 1 5 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.400 -3.000 17821
1465 1 5 . 1 1 36 36 ALA H H 36 7.490 7.490 7.988 -0.498 17821
1466 1 5 . 1 1 37 37 ARG N N 37 118.500 118.500 119.286 -0.786 17821
1467 1 5 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.983 -0.363 17821
1468 1 5 . 1 1 37 37 ARG C C 37 174.100 174.100 177.770 -3.670 17821
1469 1 5 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.790 -3.190 17821
1470 1 5 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.295 -3.195 17821
1471 1 5 . 1 1 37 37 ARG H H 37 7.630 7.630 8.162 -0.532 17821
1472 1 5 . 1 1 38 38 ASP N N 38 120.200 120.200 119.550 0.650 17821
1473 1 5 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.313 -0.043 17821
1474 1 5 . 1 1 38 38 ASP C C 38 175.500 175.500 178.309 -2.809 17821
1475 1 5 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.535 -2.835 17821
1476 1 5 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.652 -4.452 17821
1477 1 5 . 1 1 38 38 ASP H H 38 8.680 8.680 8.344 0.336 17821
1478 1 5 . 1 1 39 39 ALA N N 39 121.100 121.100 121.163 -0.063 17821
1479 1 5 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.045 -0.035 17821
1480 1 5 . 1 1 39 39 ALA C C 39 176.800 176.800 179.471 -2.671 17821
1481 1 5 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.247 -3.147 17821
1482 1 5 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.186 -2.986 17821
1483 1 5 . 1 1 39 39 ALA H H 39 8.040 8.040 8.193 -0.153 17821
1484 1 5 . 1 1 40 40 CYS N N 40 117.600 117.600 118.556 -0.956 17821
1485 1 5 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.133 0.047 17821
1486 1 5 . 1 1 40 40 CYS C C 40 173.800 173.800 176.986 -3.186 17821
1487 1 5 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.826 -4.926 17821
1488 1 5 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.781 10.619 17821
1489 1 5 . 1 1 40 40 CYS H H 40 7.340 7.340 7.956 -0.616 17821
1490 1 5 . 1 1 41 41 ILE N N 41 121.500 121.500 121.160 0.340 17821
1491 1 5 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.780 -0.730 17821
1492 1 5 . 1 1 41 41 ILE C C 41 176.100 176.100 178.554 -2.454 17821
1493 1 5 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.993 -1.593 17821
1494 1 5 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.894 -2.594 17821
1495 1 5 . 1 1 41 41 ILE H H 41 8.230 8.230 8.435 -0.205 17821
1496 1 5 . 1 1 42 42 ILE N N 42 119.200 119.200 119.636 -0.436 17821
1497 1 5 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.760 -0.070 17821
1498 1 5 . 1 1 42 42 ILE C C 42 174.200 174.200 177.569 -3.369 17821
1499 1 5 . 1 1 42 42 ILE CA C 42 61.300 61.300 63.958 -2.658 17821
1500 1 5 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.673 -0.873 17821
1501 1 5 . 1 1 42 42 ILE H H 42 7.770 7.770 8.236 -0.466 17821
1502 1 5 . 1 1 43 43 GLU N N 43 118.700 118.700 120.108 -1.408 17821
1503 1 5 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.206 -0.156 17821
1504 1 5 . 1 1 43 43 GLU C C 43 175.300 175.300 177.982 -2.682 17821
1505 1 5 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.571 -2.271 17821
1506 1 5 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.452 -2.252 17821
1507 1 5 . 1 1 43 43 GLU H H 43 7.600 7.600 8.008 -0.408 17821
1508 1 5 . 1 1 44 44 LYS N N 44 114.600 114.600 115.404 -0.804 17821
1509 1 5 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.423 0.027 17821
1510 1 5 . 1 1 44 44 LYS C C 44 174.500 174.500 176.562 -2.062 17821
1511 1 5 . 1 1 44 44 LYS CA C 44 53.800 53.800 55.997 -2.197 17821
1512 1 5 . 1 1 44 44 LYS CB C 44 32.700 32.700 33.931 -1.231 17821
1513 1 5 . 1 1 44 44 LYS H H 44 8.860 8.860 8.382 0.478 17821
1514 1 5 . 1 1 45 45 GLY N N 45 108.700 108.700 109.157 -0.457 17821
1515 1 5 . 1 1 45 45 GLY C C 45 171.000 171.000 175.366 -4.366 17821
1516 1 5 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.425 -3.125 17821
1517 1 5 . 1 1 45 45 GLY H H 45 7.690 7.690 7.521 0.169 17821
1518 1 5 . 1 1 46 46 GLU N N 46 120.800 120.800 121.671 -0.871 17821
1519 1 5 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.895 -0.455 17821
1520 1 5 . 1 1 46 46 GLU C C 46 175.800 175.800 178.162 -2.362 17821
1521 1 5 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.292 -0.992 17821
1522 1 5 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.516 -2.416 17821
1523 1 5 . 1 1 46 46 GLU H H 46 8.900 8.900 8.899 0.001 17821
1524 1 5 . 1 1 47 47 GLU N N 47 118.700 118.700 117.245 1.455 17821
1525 1 5 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.230 -0.290 17821
1526 1 5 . 1 1 47 47 GLU C C 47 174.300 174.300 177.475 -3.175 17821
1527 1 5 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.702 -1.802 17821
1528 1 5 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.037 -3.537 17821
1529 1 5 . 1 1 47 47 GLU H H 47 9.530 9.530 8.712 0.818 17821
1530 1 5 . 1 1 48 48 HIS N N 48 117.500 117.500 116.928 0.572 17821
1531 1 5 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.823 0.047 17821
1532 1 5 . 1 1 48 48 HIS C C 48 173.300 173.300 174.917 -1.617 17821
1533 1 5 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.587 -2.487 17821
1534 1 5 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.164 -2.264 17821
1535 1 5 . 1 1 48 48 HIS H H 48 7.500 7.500 7.745 -0.245 17821
1536 1 5 . 1 1 49 49 CYS N N 49 116.100 116.100 119.984 -3.884 17821
1537 1 5 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.799 0.251 17821
1538 1 5 . 1 1 49 49 CYS C C 49 173.700 173.700 175.438 -1.738 17821
1539 1 5 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.022 -6.322 17821
1540 1 5 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.530 11.970 17821
1541 1 5 . 1 1 49 49 CYS H H 49 7.460 7.460 7.407 0.053 17821
1542 1 5 . 1 1 50 50 GLY N N 50 112.900 112.900 110.474 2.426 17821
1543 1 5 . 1 1 50 50 GLY C C 50 172.500 172.500 175.692 -3.192 17821
1544 1 5 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.387 -2.087 17821
1545 1 5 . 1 1 50 50 GLY H H 50 9.150 9.150 8.490 0.660 17821
1546 1 5 . 1 1 51 51 HIS C C 51 175.400 175.400 177.482 -2.082 17821
1547 1 5 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.119 -1.719 17821
1548 1 5 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.278 -3.278 17821
1549 1 5 . 1 1 52 52 LEU N N 52 122.000 122.000 120.210 1.790 17821
1550 1 5 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.249 -0.139 17821
1551 1 5 . 1 1 52 52 LEU C C 52 177.700 177.700 178.747 -1.047 17821
1552 1 5 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.164 -2.364 17821
1553 1 5 . 1 1 52 52 LEU CB C 52 39.500 39.500 40.861 -1.361 17821
1554 1 5 . 1 1 52 52 LEU H H 52 6.810 6.810 7.862 -1.052 17821
1555 1 5 . 1 1 53 53 ILE N N 53 124.200 124.200 121.804 2.396 17821
1556 1 5 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.688 -0.258 17821
1557 1 5 . 1 1 53 53 ILE C C 53 176.100 176.100 178.323 -2.223 17821
1558 1 5 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.248 -3.048 17821
1559 1 5 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.977 -2.077 17821
1560 1 5 . 1 1 53 53 ILE H H 53 8.170 8.170 8.275 -0.105 17821
1561 1 5 . 1 1 54 54 GLU N N 54 120.600 120.600 120.158 0.442 17821
1562 1 5 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.909 0.121 17821
1563 1 5 . 1 1 54 54 GLU C C 54 175.400 175.400 178.651 -3.251 17821
1564 1 5 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.991 -3.891 17821
1565 1 5 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.664 -3.664 17821
1566 1 5 . 1 1 54 54 GLU H H 54 8.380 8.380 8.407 -0.027 17821
1567 1 5 . 1 1 55 55 ALA N N 55 120.800 120.800 122.049 -1.249 17821
1568 1 5 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.259 -0.139 17821
1569 1 5 . 1 1 55 55 ALA C C 55 177.900 177.900 179.390 -1.490 17821
1570 1 5 . 1 1 55 55 ALA CA C 55 52.200 52.200 54.935 -2.735 17821
1571 1 5 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.214 -3.114 17821
1572 1 5 . 1 1 55 55 ALA H H 55 7.880 7.880 7.996 -0.116 17821
1573 1 5 . 1 1 56 56 HIS N N 56 117.400 117.400 119.183 -1.783 17821
1574 1 5 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.229 0.071 17821
1575 1 5 . 1 1 56 56 HIS C C 56 173.500 173.500 177.203 -3.703 17821
1576 1 5 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.629 -2.629 17821
1577 1 5 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.153 -1.853 17821
1578 1 5 . 1 1 56 56 HIS H H 56 7.640 7.640 8.551 -0.911 17821
1579 1 5 . 1 1 57 57 LYS N N 57 119.200 119.200 119.066 0.134 17821
1580 1 5 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.737 -0.137 17821
1581 1 5 . 1 1 57 57 LYS C C 57 176.200 176.200 178.871 -2.671 17821
1582 1 5 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.438 -1.839 17821
1583 1 5 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.905 -2.405 17821
1584 1 5 . 1 1 57 57 LYS H H 57 7.620 7.620 8.216 -0.596 17821
1585 1 5 . 1 1 58 58 GLU N N 58 118.400 118.400 120.492 -2.092 17821
1586 1 5 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.001 -0.031 17821
1587 1 5 . 1 1 58 58 GLU C C 58 176.200 176.200 179.121 -2.921 17821
1588 1 5 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.178 -2.978 17821
1589 1 5 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.321 -3.021 17821
1590 1 5 . 1 1 58 58 GLU H H 58 8.490 8.490 8.542 -0.052 17821
1591 1 5 . 1 1 59 59 SER N N 59 116.100 116.100 115.160 0.940 17821
1592 1 5 . 1 1 59 59 SER HA H 59 4.150 4.150 4.231 -0.081 17821
1593 1 5 . 1 1 59 59 SER CA C 59 58.400 58.400 61.602 -3.202 17821
1594 1 5 . 1 1 59 59 SER CB C 59 60.300 60.300 63.205 -2.905 17821
1595 1 5 . 1 1 59 59 SER H H 59 7.790 7.790 8.104 -0.314 17821
1596 1 5 . 1 1 60 60 MET N N 60 117.500 117.500 117.686 -0.186 17821
1597 1 5 . 1 1 60 60 MET HA H 60 4.170 4.170 4.285 -0.115 17821
1598 1 5 . 1 1 60 60 MET C C 60 176.400 176.400 177.389 -0.989 17821
1599 1 5 . 1 1 60 60 MET CA C 60 54.400 54.400 54.967 -0.567 17821
1600 1 5 . 1 1 60 60 MET CB C 60 29.100 29.100 32.102 -3.002 17821
1601 1 5 . 1 1 60 60 MET H H 60 7.880 7.880 8.024 -0.144 17821
1602 1 5 . 1 1 61 61 ARG N N 61 121.300 121.300 120.925 0.375 17821
1603 1 5 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.968 0.202 17821
1604 1 5 . 1 1 61 61 ARG C C 61 177.500 177.500 178.626 -1.126 17821
1605 1 5 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.043 -2.943 17821
1606 1 5 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.036 -2.536 17821
1607 1 5 . 1 1 61 61 ARG H H 61 8.290 8.290 8.414 -0.124 17821
1608 1 5 . 1 1 62 62 ALA N N 62 123.200 123.200 122.830 0.370 17821
1609 1 5 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.071 -0.001 17821
1610 1 5 . 1 1 62 62 ALA C C 62 176.400 176.400 178.874 -2.474 17821
1611 1 5 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.479 -2.979 17821
1612 1 5 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.302 -3.202 17821
1613 1 5 . 1 1 62 62 ALA H H 62 7.950 7.950 7.892 0.058 17821
1614 1 5 . 1 1 63 63 LEU N N 63 117.500 117.500 117.348 0.152 17821
1615 1 5 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.254 -0.054 17821
1616 1 5 . 1 1 63 63 LEU C C 63 174.400 174.400 177.589 -3.189 17821
1617 1 5 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.469 -1.569 17821
1618 1 5 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.236 -1.436 17821
1619 1 5 . 1 1 63 63 LEU H H 63 7.450 7.450 7.401 0.049 17821
1620 1 5 . 1 1 64 64 GLY N N 64 106.300 106.300 108.059 -1.759 17821
1621 1 5 . 1 1 64 64 GLY C C 64 171.400 171.400 175.283 -3.883 17821
1622 1 5 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.994 -3.894 17821
1623 1 5 . 1 1 64 64 GLY H H 64 7.780 7.780 7.724 0.056 17821
1624 1 5 . 1 1 65 65 PHE N N 65 119.800 119.800 116.091 3.709 17821
1625 1 5 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.946 -0.476 17821
1626 1 5 . 1 1 65 65 PHE C C 65 172.300 172.300 175.462 -3.162 17821
1627 1 5 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.139 -1.239 17821
1628 1 5 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.109 -2.209 17821
1629 1 5 . 1 1 65 65 PHE H H 65 7.840 7.840 7.517 0.323 17821
1630 1 5 . 1 1 66 66 LYS N N 66 124.000 124.000 121.375 2.625 17821
1631 1 5 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.462 -0.202 17821
1632 1 5 . 1 1 66 66 LYS C C 66 172.200 172.200 175.595 -3.395 17821
1633 1 5 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.011 -3.811 17821
1634 1 5 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.626 -4.326 17821
1635 1 5 . 1 1 66 66 LYS H H 66 8.370 8.370 8.281 0.089 17821
1636 1 6 . 1 1 4 4 THR N N 4 117.400 117.400 121.212 -3.812 17821
1637 1 6 . 1 1 4 4 THR HA H 4 4.130 4.130 4.343 -0.213 17821
1638 1 6 . 1 1 4 4 THR C C 4 170.800 170.800 174.543 -3.743 17821
1639 1 6 . 1 1 4 4 THR CA C 4 58.800 58.800 62.389 -3.589 17821
1640 1 6 . 1 1 4 4 THR CB C 4 67.000 67.000 69.289 -2.289 17821
1641 1 6 . 1 1 4 4 THR H H 4 7.980 7.980 7.928 0.052 17821
1642 1 6 . 1 1 5 5 MET N N 5 124.400 124.400 125.256 -0.856 17821
1643 1 6 . 1 1 5 5 MET C C 5 171.200 171.200 174.817 -3.617 17821
1644 1 6 . 1 1 5 5 MET CA C 5 50.400 50.400 54.968 -4.568 17821
1645 1 6 . 1 1 5 5 MET CB C 5 29.600 29.600 32.080 -2.480 17821
1646 1 6 . 1 1 5 5 MET H H 5 8.250 8.250 8.559 -0.309 17821
1647 1 6 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.654 -0.374 17821
1648 1 6 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.834 -2.334 17821
1649 1 6 . 1 1 6 6 PRO CB C 6 29.200 29.200 33.176 -3.976 17821
1650 1 6 . 1 1 7 7 GLY N N 7 109.000 109.000 107.791 1.209 17821
1651 1 6 . 1 1 7 7 GLY C C 7 171.200 171.200 175.464 -4.264 17821
1652 1 6 . 1 1 7 7 GLY CA C 7 42.400 42.400 46.163 -3.763 17821
1653 1 6 . 1 1 7 7 GLY H H 7 8.360 8.360 8.712 -0.352 17821
1654 1 6 . 1 1 8 8 LEU N N 8 121.700 121.700 121.804 -0.104 17821
1655 1 6 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.575 -0.315 17821
1656 1 6 . 1 1 8 8 LEU C C 8 174.600 174.600 176.314 -1.714 17821
1657 1 6 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.177 -2.877 17821
1658 1 6 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.637 -1.237 17821
1659 1 6 . 1 1 8 8 LEU H H 8 7.920 7.920 7.797 0.123 17821
1660 1 6 . 1 1 9 9 VAL N N 9 120.900 120.900 115.283 5.617 17821
1661 1 6 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.494 -0.514 17821
1662 1 6 . 1 1 9 9 VAL C C 9 172.900 172.900 174.077 -1.177 17821
1663 1 6 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.717 -1.317 17821
1664 1 6 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.564 -4.564 17821
1665 1 6 . 1 1 9 9 VAL H H 9 8.050 8.050 7.463 0.587 17821
1666 1 6 . 1 1 10 10 ASP N N 10 124.300 124.300 121.448 2.852 17821
1667 1 6 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.869 -0.399 17821
1668 1 6 . 1 1 10 10 ASP C C 10 173.100 173.100 175.492 -2.392 17821
1669 1 6 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.370 -1.870 17821
1670 1 6 . 1 1 10 10 ASP CB C 10 38.300 38.300 42.974 -4.674 17821
1671 1 6 . 1 1 10 10 ASP H H 10 8.300 8.300 8.305 -0.005 17821
1672 1 6 . 1 1 11 11 SER N N 11 116.400 116.400 118.539 -2.139 17821
1673 1 6 . 1 1 11 11 SER HA H 11 4.290 4.290 4.500 -0.210 17821
1674 1 6 . 1 1 11 11 SER C C 11 171.200 171.200 174.528 -3.328 17821
1675 1 6 . 1 1 11 11 SER CA C 11 55.500 55.500 57.817 -2.317 17821
1676 1 6 . 1 1 11 11 SER CB C 11 60.900 60.900 64.092 -3.192 17821
1677 1 6 . 1 1 11 11 SER H H 11 8.130 8.130 8.183 -0.053 17821
1678 1 6 . 1 1 12 12 ASN N N 12 121.600 121.600 118.405 3.195 17821
1679 1 6 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.856 -0.626 17821
1680 1 6 . 1 1 12 12 ASN C C 12 170.000 170.000 173.959 -3.959 17821
1681 1 6 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.176 4.324 17821
1682 1 6 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.227 -2.227 17821
1683 1 6 . 1 1 12 12 ASN H H 12 8.360 8.360 8.580 -0.220 17821
1684 1 6 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.547 -0.257 17821
1685 1 6 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.287 -1.987 17821
1686 1 6 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.879 -3.679 17821
1687 1 6 . 1 1 14 14 ALA N N 14 125.700 125.700 123.080 2.620 17821
1688 1 6 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.434 -0.024 17821
1689 1 6 . 1 1 14 14 ALA C C 14 172.200 172.200 176.474 -4.274 17821
1690 1 6 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.133 -3.633 17821
1691 1 6 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.133 -3.033 17821
1692 1 6 . 1 1 14 14 ALA H H 14 8.260 8.260 8.216 0.044 17821
1693 1 6 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.556 -0.276 17821
1694 1 6 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.609 -2.109 17821
1695 1 6 . 1 1 16 16 PRO CB C 16 29.200 29.200 30.631 -1.431 17821
1696 1 6 . 1 1 17 17 GLU N N 17 120.600 120.600 119.453 1.147 17821
1697 1 6 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.238 -0.118 17821
1698 1 6 . 1 1 17 17 GLU C C 17 173.900 173.900 176.952 -3.052 17821
1699 1 6 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.962 -2.861 17821
1700 1 6 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.673 -2.573 17821
1701 1 6 . 1 1 17 17 GLU H H 17 8.550 8.550 8.303 0.247 17821
1702 1 6 . 1 1 18 18 SER N N 18 116.400 116.400 117.628 -1.228 17821
1703 1 6 . 1 1 18 18 SER HA H 18 4.310 4.310 4.487 -0.177 17821
1704 1 6 . 1 1 18 18 SER C C 18 171.900 171.900 174.172 -2.272 17821
1705 1 6 . 1 1 18 18 SER CA C 18 55.600 55.600 57.974 -2.374 17821
1706 1 6 . 1 1 18 18 SER CB C 18 60.800 60.800 63.833 -3.033 17821
1707 1 6 . 1 1 18 18 SER H H 18 8.240 8.240 8.107 0.133 17821
1708 1 6 . 1 1 19 19 GLN N N 19 122.300 122.300 122.219 0.081 17821
1709 1 6 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.275 -0.075 17821
1710 1 6 . 1 1 19 19 GLN C C 19 173.100 173.100 175.265 -2.165 17821
1711 1 6 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.229 -3.229 17821
1712 1 6 . 1 1 19 19 GLN CB C 19 26.500 26.500 26.918 -0.418 17821
1713 1 6 . 1 1 19 19 GLN H H 19 8.310 8.310 8.770 -0.460 17821
1714 1 6 . 1 1 20 20 GLU N N 20 121.600 121.600 121.561 0.039 17821
1715 1 6 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.591 -0.301 17821
1716 1 6 . 1 1 20 20 GLU C C 20 173.500 173.500 175.058 -1.558 17821
1717 1 6 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.051 -1.151 17821
1718 1 6 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.093 -3.693 17821
1719 1 6 . 1 1 20 20 GLU H H 20 8.240 8.240 8.020 0.220 17821
1720 1 6 . 1 1 21 21 LYS N N 21 122.900 122.900 120.659 2.241 17821
1721 1 6 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.511 -0.331 17821
1722 1 6 . 1 1 21 21 LYS C C 21 173.400 173.400 175.876 -2.476 17821
1723 1 6 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.940 -2.640 17821
1724 1 6 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.104 -3.304 17821
1725 1 6 . 1 1 21 21 LYS H H 21 8.260 8.260 8.436 -0.176 17821
1726 1 6 . 1 1 22 22 LYS N N 22 124.000 124.000 123.230 0.770 17821
1727 1 6 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.765 -0.315 17821
1728 1 6 . 1 1 22 22 LYS C C 22 171.500 171.500 174.569 -3.069 17821
1729 1 6 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.763 -2.563 17821
1730 1 6 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.825 -3.325 17821
1731 1 6 . 1 1 22 22 LYS H H 22 8.220 8.220 8.418 -0.198 17821
1732 1 6 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.457 -0.167 17821
1733 1 6 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.573 -2.473 17821
1734 1 6 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.405 -3.205 17821
1735 1 6 . 1 1 24 24 LEU N N 24 122.700 122.700 123.609 -0.909 17821
1736 1 6 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.410 -0.250 17821
1737 1 6 . 1 1 24 24 LEU C C 24 174.400 174.400 176.457 -2.057 17821
1738 1 6 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.694 -2.294 17821
1739 1 6 . 1 1 24 24 LEU CB C 24 39.600 39.600 39.475 0.125 17821
1740 1 6 . 1 1 24 24 LEU H H 24 8.270 8.270 8.493 -0.223 17821
1741 1 6 . 1 1 25 25 LYS N N 25 123.400 123.400 125.754 -2.354 17821
1742 1 6 . 1 1 25 25 LYS C C 25 171.600 171.600 174.989 -3.389 17821
1743 1 6 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.584 -3.684 17821
1744 1 6 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.389 -3.588 17821
1745 1 6 . 1 1 25 25 LYS H H 25 8.180 8.180 7.851 0.329 17821
1746 1 6 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.347 -13.348 17821
1747 1 6 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.110 4.890 17821
1748 1 6 . 1 1 29 29 ALA N N 29 123.800 123.800 122.125 1.675 17821
1749 1 6 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.388 -0.238 17821
1750 1 6 . 1 1 29 29 ALA C C 29 173.200 173.200 177.100 -3.900 17821
1751 1 6 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.540 -1.840 17821
1752 1 6 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.534 -2.934 17821
1753 1 6 . 1 1 29 29 ALA H H 29 8.050 8.050 7.762 0.288 17821
1754 1 6 . 1 1 30 30 SER N N 30 112.800 112.800 114.419 -1.619 17821
1755 1 6 . 1 1 30 30 SER HA H 30 4.580 4.580 5.259 -0.679 17821
1756 1 6 . 1 1 30 30 SER C C 30 173.300 173.300 173.344 -0.044 17821
1757 1 6 . 1 1 30 30 SER CA C 30 52.600 52.600 55.957 -3.357 17821
1758 1 6 . 1 1 30 30 SER CB C 30 59.400 59.400 62.513 -3.113 17821
1759 1 6 . 1 1 30 30 SER H H 30 8.270 8.270 8.248 0.022 17821
1760 1 6 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.285 -0.125 17821
1761 1 6 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.036 -3.236 17821
1762 1 6 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.784 -2.484 17821
1763 1 6 . 1 1 32 32 GLU N N 32 119.100 119.100 118.172 0.928 17821
1764 1 6 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.029 0.031 17821
1765 1 6 . 1 1 32 32 GLU C C 32 177.300 177.300 178.458 -1.158 17821
1766 1 6 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.233 -2.333 17821
1767 1 6 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.221 -2.221 17821
1768 1 6 . 1 1 32 32 GLU H H 32 8.720 8.720 8.965 -0.245 17821
1769 1 6 . 1 1 33 33 THR N N 33 110.800 110.800 110.279 0.521 17821
1770 1 6 . 1 1 33 33 THR HA H 33 4.040 4.040 4.240 -0.200 17821
1771 1 6 . 1 1 33 33 THR C C 33 176.000 176.000 176.422 -0.422 17821
1772 1 6 . 1 1 33 33 THR CA C 33 61.700 61.700 65.144 -3.444 17821
1773 1 6 . 1 1 33 33 THR CB C 33 64.100 64.100 69.145 -5.045 17821
1774 1 6 . 1 1 33 33 THR H H 33 7.620 7.620 8.292 -0.672 17821
1775 1 6 . 1 1 34 34 LYS N N 34 127.100 127.100 122.377 4.723 17821
1776 1 6 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.941 -1.021 17821
1777 1 6 . 1 1 34 34 LYS C C 34 174.300 174.300 178.436 -4.136 17821
1778 1 6 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.270 -1.970 17821
1779 1 6 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.954 -1.954 17821
1780 1 6 . 1 1 34 34 LYS H H 34 7.740 7.740 7.717 0.023 17821
1781 1 6 . 1 1 35 35 LYS N N 35 118.500 118.500 119.692 -1.192 17821
1782 1 6 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.133 -0.243 17821
1783 1 6 . 1 1 35 35 LYS C C 35 176.500 176.500 178.859 -2.359 17821
1784 1 6 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.833 -2.133 17821
1785 1 6 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.850 -2.350 17821
1786 1 6 . 1 1 35 35 LYS H H 35 7.880 7.880 8.230 -0.350 17821
1787 1 6 . 1 1 36 36 ALA N N 36 120.100 120.100 122.516 -2.416 17821
1788 1 6 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.164 -0.124 17821
1789 1 6 . 1 1 36 36 ALA C C 36 177.600 177.600 179.442 -1.842 17821
1790 1 6 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.962 -2.962 17821
1791 1 6 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.367 -2.967 17821
1792 1 6 . 1 1 36 36 ALA H H 36 7.490 7.490 8.133 -0.643 17821
1793 1 6 . 1 1 37 37 ARG N N 37 118.500 118.500 119.165 -0.665 17821
1794 1 6 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.898 -0.278 17821
1795 1 6 . 1 1 37 37 ARG C C 37 174.100 174.100 177.826 -3.726 17821
1796 1 6 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.837 -3.237 17821
1797 1 6 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.094 -2.994 17821
1798 1 6 . 1 1 37 37 ARG H H 37 7.630 7.630 8.318 -0.688 17821
1799 1 6 . 1 1 38 38 ASP N N 38 120.200 120.200 119.334 0.866 17821
1800 1 6 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.390 -0.120 17821
1801 1 6 . 1 1 38 38 ASP C C 38 175.500 175.500 178.460 -2.960 17821
1802 1 6 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.097 -2.397 17821
1803 1 6 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.197 -3.997 17821
1804 1 6 . 1 1 38 38 ASP H H 38 8.680 8.680 8.128 0.552 17821
1805 1 6 . 1 1 39 39 ALA N N 39 121.100 121.100 122.492 -1.392 17821
1806 1 6 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.060 -0.050 17821
1807 1 6 . 1 1 39 39 ALA C C 39 176.800 176.800 179.685 -2.885 17821
1808 1 6 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.200 -3.100 17821
1809 1 6 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.190 -2.990 17821
1810 1 6 . 1 1 39 39 ALA H H 39 8.040 8.040 8.120 -0.080 17821
1811 1 6 . 1 1 40 40 CYS N N 40 117.600 117.600 118.031 -0.431 17821
1812 1 6 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.217 -0.037 17821
1813 1 6 . 1 1 40 40 CYS C C 40 173.800 173.800 176.840 -3.040 17821
1814 1 6 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.862 -4.962 17821
1815 1 6 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.132 10.268 17821
1816 1 6 . 1 1 40 40 CYS H H 40 7.340 7.340 8.043 -0.703 17821
1817 1 6 . 1 1 41 41 ILE N N 41 121.500 121.500 121.039 0.461 17821
1818 1 6 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.843 -0.793 17821
1819 1 6 . 1 1 41 41 ILE C C 41 176.100 176.100 178.458 -2.358 17821
1820 1 6 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.828 -1.428 17821
1821 1 6 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.910 -2.610 17821
1822 1 6 . 1 1 41 41 ILE H H 41 8.230 8.230 8.428 -0.198 17821
1823 1 6 . 1 1 42 42 ILE N N 42 119.200 119.200 120.424 -1.224 17821
1824 1 6 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.656 0.034 17821
1825 1 6 . 1 1 42 42 ILE C C 42 174.200 174.200 177.820 -3.620 17821
1826 1 6 . 1 1 42 42 ILE CA C 42 61.300 61.300 65.114 -3.814 17821
1827 1 6 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.920 -2.120 17821
1828 1 6 . 1 1 42 42 ILE H H 42 7.770 7.770 8.361 -0.591 17821
1829 1 6 . 1 1 43 43 GLU N N 43 118.700 118.700 118.266 0.434 17821
1830 1 6 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.251 -0.201 17821
1831 1 6 . 1 1 43 43 GLU C C 43 175.300 175.300 177.813 -2.513 17821
1832 1 6 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.546 -2.246 17821
1833 1 6 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.358 -2.158 17821
1834 1 6 . 1 1 43 43 GLU H H 43 7.600 7.600 8.038 -0.438 17821
1835 1 6 . 1 1 44 44 LYS N N 44 114.600 114.600 116.111 -1.511 17821
1836 1 6 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.587 -0.137 17821
1837 1 6 . 1 1 44 44 LYS C C 44 174.500 174.500 175.850 -1.350 17821
1838 1 6 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.352 -2.552 17821
1839 1 6 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.407 -2.707 17821
1840 1 6 . 1 1 44 44 LYS H H 44 8.860 8.860 8.563 0.297 17821
1841 1 6 . 1 1 45 45 GLY N N 45 108.700 108.700 108.373 0.327 17821
1842 1 6 . 1 1 45 45 GLY C C 45 171.000 171.000 174.773 -3.773 17821
1843 1 6 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.536 -3.236 17821
1844 1 6 . 1 1 45 45 GLY H H 45 7.690 7.690 7.928 -0.238 17821
1845 1 6 . 1 1 46 46 GLU N N 46 120.800 120.800 121.566 -0.766 17821
1846 1 6 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.906 -0.466 17821
1847 1 6 . 1 1 46 46 GLU C C 46 175.800 175.800 178.335 -2.535 17821
1848 1 6 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.254 -0.954 17821
1849 1 6 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.543 -2.443 17821
1850 1 6 . 1 1 46 46 GLU H H 46 8.900 8.900 9.006 -0.106 17821
1851 1 6 . 1 1 47 47 GLU N N 47 118.700 118.700 116.802 1.898 17821
1852 1 6 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.023 -0.083 17821
1853 1 6 . 1 1 47 47 GLU C C 47 174.300 174.300 177.172 -2.872 17821
1854 1 6 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.867 -1.967 17821
1855 1 6 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.943 -3.443 17821
1856 1 6 . 1 1 47 47 GLU H H 47 9.530 9.530 8.671 0.859 17821
1857 1 6 . 1 1 48 48 HIS N N 48 117.500 117.500 116.030 1.470 17821
1858 1 6 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.867 0.003 17821
1859 1 6 . 1 1 48 48 HIS C C 48 173.300 173.300 174.954 -1.654 17821
1860 1 6 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.720 -2.620 17821
1861 1 6 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.138 -2.238 17821
1862 1 6 . 1 1 48 48 HIS H H 48 7.500 7.500 7.836 -0.336 17821
1863 1 6 . 1 1 49 49 CYS N N 49 116.100 116.100 119.623 -3.523 17821
1864 1 6 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.948 0.102 17821
1865 1 6 . 1 1 49 49 CYS C C 49 173.700 173.700 175.535 -1.835 17821
1866 1 6 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.830 -6.130 17821
1867 1 6 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.999 12.501 17821
1868 1 6 . 1 1 49 49 CYS H H 49 7.460 7.460 7.848 -0.388 17821
1869 1 6 . 1 1 50 50 GLY N N 50 112.900 112.900 109.641 3.259 17821
1870 1 6 . 1 1 50 50 GLY C C 50 172.500 172.500 175.498 -2.998 17821
1871 1 6 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.763 -2.463 17821
1872 1 6 . 1 1 50 50 GLY H H 50 9.150 9.150 8.589 0.561 17821
1873 1 6 . 1 1 51 51 HIS C C 51 175.400 175.400 177.050 -1.650 17821
1874 1 6 . 1 1 51 51 HIS CA C 51 56.400 56.400 57.474 -1.074 17821
1875 1 6 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.860 -3.860 17821
1876 1 6 . 1 1 52 52 LEU N N 52 122.000 122.000 121.372 0.628 17821
1877 1 6 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.022 0.088 17821
1878 1 6 . 1 1 52 52 LEU C C 52 177.700 177.700 178.611 -0.911 17821
1879 1 6 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.404 -3.604 17821
1880 1 6 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.291 -1.791 17821
1881 1 6 . 1 1 52 52 LEU H H 52 6.810 6.810 7.432 -0.622 17821
1882 1 6 . 1 1 53 53 ILE N N 53 124.200 124.200 120.081 4.119 17821
1883 1 6 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.592 -0.162 17821
1884 1 6 . 1 1 53 53 ILE C C 53 176.100 176.100 178.322 -2.222 17821
1885 1 6 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.030 -2.830 17821
1886 1 6 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.835 -1.935 17821
1887 1 6 . 1 1 53 53 ILE H H 53 8.170 8.170 8.103 0.067 17821
1888 1 6 . 1 1 54 54 GLU N N 54 120.600 120.600 120.176 0.424 17821
1889 1 6 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.942 0.088 17821
1890 1 6 . 1 1 54 54 GLU C C 54 175.400 175.400 178.535 -3.135 17821
1891 1 6 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.888 -3.788 17821
1892 1 6 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.654 -3.655 17821
1893 1 6 . 1 1 54 54 GLU H H 54 8.380 8.380 8.157 0.223 17821
1894 1 6 . 1 1 55 55 ALA N N 55 120.800 120.800 121.813 -1.013 17821
1895 1 6 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.911 0.209 17821
1896 1 6 . 1 1 55 55 ALA C C 55 177.900 177.900 179.100 -1.200 17821
1897 1 6 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.083 -2.883 17821
1898 1 6 . 1 1 55 55 ALA CB C 55 15.100 15.100 17.943 -2.843 17821
1899 1 6 . 1 1 55 55 ALA H H 55 7.880 7.880 7.788 0.092 17821
1900 1 6 . 1 1 56 56 HIS N N 56 117.400 117.400 119.665 -2.265 17821
1901 1 6 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.240 0.060 17821
1902 1 6 . 1 1 56 56 HIS C C 56 173.500 173.500 177.382 -3.882 17821
1903 1 6 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.842 -2.842 17821
1904 1 6 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.301 -2.001 17821
1905 1 6 . 1 1 56 56 HIS H H 56 7.640 7.640 8.533 -0.893 17821
1906 1 6 . 1 1 57 57 LYS N N 57 119.200 119.200 118.786 0.414 17821
1907 1 6 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.818 -0.218 17821
1908 1 6 . 1 1 57 57 LYS C C 57 176.200 176.200 179.060 -2.860 17821
1909 1 6 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.532 -1.932 17821
1910 1 6 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.092 -2.592 17821
1911 1 6 . 1 1 57 57 LYS H H 57 7.620 7.620 8.117 -0.497 17821
1912 1 6 . 1 1 58 58 GLU N N 58 118.400 118.400 120.228 -1.828 17821
1913 1 6 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.060 -0.090 17821
1914 1 6 . 1 1 58 58 GLU C C 58 176.200 176.200 179.036 -2.836 17821
1915 1 6 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.020 -2.820 17821
1916 1 6 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.427 -3.127 17821
1917 1 6 . 1 1 58 58 GLU H H 58 8.490 8.490 8.348 0.142 17821
1918 1 6 . 1 1 59 59 SER N N 59 116.100 116.100 115.056 1.044 17821
1919 1 6 . 1 1 59 59 SER HA H 59 4.150 4.150 4.199 -0.049 17821
1920 1 6 . 1 1 59 59 SER CA C 59 58.400 58.400 61.436 -3.036 17821
1921 1 6 . 1 1 59 59 SER CB C 59 60.300 60.300 63.215 -2.915 17821
1922 1 6 . 1 1 59 59 SER H H 59 7.790 7.790 8.304 -0.514 17821
1923 1 6 . 1 1 60 60 MET N N 60 117.500 117.500 117.376 0.124 17821
1924 1 6 . 1 1 60 60 MET HA H 60 4.170 4.170 4.379 -0.209 17821
1925 1 6 . 1 1 60 60 MET C C 60 176.400 176.400 177.867 -1.467 17821
1926 1 6 . 1 1 60 60 MET CA C 60 54.400 54.400 55.733 -1.333 17821
1927 1 6 . 1 1 60 60 MET CB C 60 29.100 29.100 32.677 -3.577 17821
1928 1 6 . 1 1 60 60 MET H H 60 7.880 7.880 7.802 0.078 17821
1929 1 6 . 1 1 61 61 ARG N N 61 121.300 121.300 121.812 -0.512 17821
1930 1 6 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.010 0.160 17821
1931 1 6 . 1 1 61 61 ARG C C 61 177.500 177.500 178.327 -0.827 17821
1932 1 6 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.639 -2.539 17821
1933 1 6 . 1 1 61 61 ARG CB C 61 27.500 27.500 29.739 -2.239 17821
1934 1 6 . 1 1 61 61 ARG H H 61 8.290 8.290 8.231 0.059 17821
1935 1 6 . 1 1 62 62 ALA N N 62 123.200 123.200 123.291 -0.091 17821
1936 1 6 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.077 -0.007 17821
1937 1 6 . 1 1 62 62 ALA C C 62 176.400 176.400 178.526 -2.126 17821
1938 1 6 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.478 -2.978 17821
1939 1 6 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.379 -3.279 17821
1940 1 6 . 1 1 62 62 ALA H H 62 7.950 7.950 8.012 -0.062 17821
1941 1 6 . 1 1 63 63 LEU N N 63 117.500 117.500 117.176 0.324 17821
1942 1 6 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.167 0.033 17821
1943 1 6 . 1 1 63 63 LEU C C 63 174.400 174.400 177.227 -2.827 17821
1944 1 6 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.959 -1.059 17821
1945 1 6 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.637 -0.837 17821
1946 1 6 . 1 1 63 63 LEU H H 63 7.450 7.450 7.475 -0.025 17821
1947 1 6 . 1 1 64 64 GLY N N 64 106.300 106.300 108.364 -2.064 17821
1948 1 6 . 1 1 64 64 GLY C C 64 171.400 171.400 175.052 -3.652 17821
1949 1 6 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.182 -4.082 17821
1950 1 6 . 1 1 64 64 GLY H H 64 7.780 7.780 7.845 -0.065 17821
1951 1 6 . 1 1 65 65 PHE N N 65 119.800 119.800 115.272 4.528 17821
1952 1 6 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.850 -0.380 17821
1953 1 6 . 1 1 65 65 PHE C C 65 172.300 172.300 174.819 -2.519 17821
1954 1 6 . 1 1 65 65 PHE CA C 65 54.900 54.900 54.731 0.169 17821
1955 1 6 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.494 -1.594 17821
1956 1 6 . 1 1 65 65 PHE H H 65 7.840 7.840 7.316 0.524 17821
1957 1 6 . 1 1 66 66 LYS N N 66 124.000 124.000 121.382 2.618 17821
1958 1 6 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.447 -0.187 17821
1959 1 6 . 1 1 66 66 LYS C C 66 172.200 172.200 175.553 -3.353 17821
1960 1 6 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.986 -3.787 17821
1961 1 6 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.327 -4.027 17821
1962 1 6 . 1 1 66 66 LYS H H 66 8.370 8.370 8.283 0.087 17821
1963 1 7 . 1 1 4 4 THR N N 4 117.400 117.400 118.494 -1.094 17821
1964 1 7 . 1 1 4 4 THR HA H 4 4.130 4.130 4.392 -0.262 17821
1965 1 7 . 1 1 4 4 THR C C 4 170.800 170.800 174.119 -3.319 17821
1966 1 7 . 1 1 4 4 THR CA C 4 58.800 58.800 63.411 -4.611 17821
1967 1 7 . 1 1 4 4 THR CB C 4 67.000 67.000 69.185 -2.185 17821
1968 1 7 . 1 1 4 4 THR H H 4 7.980 7.980 8.561 -0.581 17821
1969 1 7 . 1 1 5 5 MET N N 5 124.400 124.400 126.253 -1.853 17821
1970 1 7 . 1 1 5 5 MET C C 5 171.200 171.200 174.425 -3.225 17821
1971 1 7 . 1 1 5 5 MET CA C 5 50.400 50.400 52.760 -2.360 17821
1972 1 7 . 1 1 5 5 MET CB C 5 29.600 29.600 33.139 -3.539 17821
1973 1 7 . 1 1 5 5 MET H H 5 8.250 8.250 8.291 -0.041 17821
1974 1 7 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.530 -0.250 17821
1975 1 7 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.068 -2.567 17821
1976 1 7 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.114 -2.914 17821
1977 1 7 . 1 1 7 7 GLY N N 7 109.000 109.000 111.258 -2.258 17821
1978 1 7 . 1 1 7 7 GLY C C 7 171.200 171.200 174.860 -3.660 17821
1979 1 7 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.643 -3.243 17821
1980 1 7 . 1 1 7 7 GLY H H 7 8.360 8.360 8.583 -0.223 17821
1981 1 7 . 1 1 8 8 LEU N N 8 121.700 121.700 121.316 0.384 17821
1982 1 7 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.628 -0.368 17821
1983 1 7 . 1 1 8 8 LEU C C 8 174.600 174.600 176.627 -2.027 17821
1984 1 7 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.841 -2.541 17821
1985 1 7 . 1 1 8 8 LEU CB C 8 39.400 39.400 41.841 -2.441 17821
1986 1 7 . 1 1 8 8 LEU H H 8 7.920 7.920 8.310 -0.390 17821
1987 1 7 . 1 1 9 9 VAL N N 9 120.900 120.900 116.753 4.147 17821
1988 1 7 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.493 -0.513 17821
1989 1 7 . 1 1 9 9 VAL C C 9 172.900 172.900 174.909 -2.009 17821
1990 1 7 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.115 -1.715 17821
1991 1 7 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.910 -3.910 17821
1992 1 7 . 1 1 9 9 VAL H H 9 8.050 8.050 7.686 0.364 17821
1993 1 7 . 1 1 10 10 ASP N N 10 124.300 124.300 127.845 -3.545 17821
1994 1 7 . 1 1 10 10 ASP HA H 10 4.470 4.470 5.036 -0.566 17821
1995 1 7 . 1 1 10 10 ASP C C 10 173.100 173.100 175.206 -2.106 17821
1996 1 7 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.244 -2.744 17821
1997 1 7 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.731 -2.431 17821
1998 1 7 . 1 1 10 10 ASP H H 10 8.300 8.300 8.609 -0.309 17821
1999 1 7 . 1 1 11 11 SER N N 11 116.400 116.400 117.462 -1.062 17821
2000 1 7 . 1 1 11 11 SER HA H 11 4.290 4.290 4.755 -0.465 17821
2001 1 7 . 1 1 11 11 SER C C 11 171.200 171.200 173.329 -2.129 17821
2002 1 7 . 1 1 11 11 SER CA C 11 55.500 55.500 57.696 -2.196 17821
2003 1 7 . 1 1 11 11 SER CB C 11 60.900 60.900 64.475 -3.575 17821
2004 1 7 . 1 1 11 11 SER H H 11 8.130 8.130 8.479 -0.349 17821
2005 1 7 . 1 1 12 12 ASN N N 12 121.600 121.600 121.383 0.217 17821
2006 1 7 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.992 -0.762 17821
2007 1 7 . 1 1 12 12 ASN C C 12 170.000 170.000 173.119 -3.119 17821
2008 1 7 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.576 4.924 17821
2009 1 7 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.571 -2.571 17821
2010 1 7 . 1 1 12 12 ASN H H 12 8.360 8.360 8.439 -0.079 17821
2011 1 7 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.561 -0.271 17821
2012 1 7 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.833 -2.533 17821
2013 1 7 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.698 -3.498 17821
2014 1 7 . 1 1 14 14 ALA N N 14 125.700 125.700 127.208 -1.508 17821
2015 1 7 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.506 -0.096 17821
2016 1 7 . 1 1 14 14 ALA C C 14 172.200 172.200 176.371 -4.171 17821
2017 1 7 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.680 -3.180 17821
2018 1 7 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.770 -3.670 17821
2019 1 7 . 1 1 14 14 ALA H H 14 8.260 8.260 8.231 0.029 17821
2020 1 7 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.456 -0.176 17821
2021 1 7 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.764 -2.264 17821
2022 1 7 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.750 -3.550 17821
2023 1 7 . 1 1 17 17 GLU N N 17 120.600 120.600 123.769 -3.169 17821
2024 1 7 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.207 -0.087 17821
2025 1 7 . 1 1 17 17 GLU C C 17 173.900 173.900 175.976 -2.076 17821
2026 1 7 . 1 1 17 17 GLU CA C 17 54.100 54.100 57.020 -2.920 17821
2027 1 7 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.067 -2.967 17821
2028 1 7 . 1 1 17 17 GLU H H 17 8.550 8.550 8.494 0.056 17821
2029 1 7 . 1 1 18 18 SER N N 18 116.400 116.400 117.655 -1.255 17821
2030 1 7 . 1 1 18 18 SER HA H 18 4.310 4.310 4.429 -0.119 17821
2031 1 7 . 1 1 18 18 SER C C 18 171.900 171.900 174.249 -2.349 17821
2032 1 7 . 1 1 18 18 SER CA C 18 55.600 55.600 57.611 -2.011 17821
2033 1 7 . 1 1 18 18 SER CB C 18 60.800 60.800 64.520 -3.720 17821
2034 1 7 . 1 1 18 18 SER H H 18 8.240 8.240 8.179 0.061 17821
2035 1 7 . 1 1 19 19 GLN N N 19 122.300 122.300 121.267 1.033 17821
2036 1 7 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.366 -0.166 17821
2037 1 7 . 1 1 19 19 GLN C C 19 173.100 173.100 176.106 -3.006 17821
2038 1 7 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.778 -2.777 17821
2039 1 7 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.303 -2.803 17821
2040 1 7 . 1 1 19 19 GLN H H 19 8.310 8.310 8.433 -0.123 17821
2041 1 7 . 1 1 20 20 GLU N N 20 121.600 121.600 121.460 0.140 17821
2042 1 7 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.362 -0.072 17821
2043 1 7 . 1 1 20 20 GLU C C 20 173.500 173.500 176.316 -2.816 17821
2044 1 7 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.522 -2.622 17821
2045 1 7 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.025 -2.625 17821
2046 1 7 . 1 1 20 20 GLU H H 20 8.240 8.240 8.615 -0.375 17821
2047 1 7 . 1 1 21 21 LYS N N 21 122.900 122.900 123.662 -0.762 17821
2048 1 7 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.501 -0.321 17821
2049 1 7 . 1 1 21 21 LYS C C 21 173.400 173.400 175.436 -2.036 17821
2050 1 7 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.987 -2.688 17821
2051 1 7 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.999 -4.199 17821
2052 1 7 . 1 1 21 21 LYS H H 21 8.260 8.260 8.400 -0.140 17821
2053 1 7 . 1 1 22 22 LYS N N 22 124.000 124.000 124.174 -0.174 17821
2054 1 7 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.658 -0.208 17821
2055 1 7 . 1 1 22 22 LYS C C 22 171.500 171.500 174.572 -3.072 17821
2056 1 7 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.382 -3.182 17821
2057 1 7 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.782 -3.283 17821
2058 1 7 . 1 1 22 22 LYS H H 22 8.220 8.220 8.802 -0.582 17821
2059 1 7 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.497 -0.207 17821
2060 1 7 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.587 -2.486 17821
2061 1 7 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.467 -3.267 17821
2062 1 7 . 1 1 24 24 LEU N N 24 122.700 122.700 123.156 -0.456 17821
2063 1 7 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.606 -0.446 17821
2064 1 7 . 1 1 24 24 LEU C C 24 174.400 174.400 176.084 -1.684 17821
2065 1 7 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.185 -1.786 17821
2066 1 7 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.882 -3.282 17821
2067 1 7 . 1 1 24 24 LEU H H 24 8.270 8.270 8.263 0.007 17821
2068 1 7 . 1 1 25 25 LYS N N 25 123.400 123.400 127.782 -4.382 17821
2069 1 7 . 1 1 25 25 LYS C C 25 171.600 171.600 175.188 -3.588 17821
2070 1 7 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.025 -3.125 17821
2071 1 7 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.690 -2.890 17821
2072 1 7 . 1 1 25 25 LYS H H 25 8.180 8.180 8.505 -0.325 17821
2073 1 7 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.017 -13.017 17821
2074 1 7 . 1 1 28 28 CYS CB C 28 31.000 31.000 29.223 1.777 17821
2075 1 7 . 1 1 29 29 ALA N N 29 123.800 123.800 121.656 2.144 17821
2076 1 7 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.559 -0.408 17821
2077 1 7 . 1 1 29 29 ALA C C 29 173.200 173.200 175.391 -2.191 17821
2078 1 7 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.143 -1.443 17821
2079 1 7 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.355 -3.755 17821
2080 1 7 . 1 1 29 29 ALA H H 29 8.050 8.050 7.917 0.133 17821
2081 1 7 . 1 1 30 30 SER N N 30 112.800 112.800 114.402 -1.602 17821
2082 1 7 . 1 1 30 30 SER HA H 30 4.580 4.580 4.990 -0.410 17821
2083 1 7 . 1 1 30 30 SER C C 30 173.300 173.300 173.651 -0.351 17821
2084 1 7 . 1 1 30 30 SER CA C 30 52.600 52.600 56.175 -3.575 17821
2085 1 7 . 1 1 30 30 SER CB C 30 59.400 59.400 62.655 -3.255 17821
2086 1 7 . 1 1 30 30 SER H H 30 8.270 8.270 8.750 -0.480 17821
2087 1 7 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.294 -0.134 17821
2088 1 7 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.863 -3.063 17821
2089 1 7 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.995 -2.696 17821
2090 1 7 . 1 1 32 32 GLU N N 32 119.100 119.100 118.466 0.634 17821
2091 1 7 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.025 0.035 17821
2092 1 7 . 1 1 32 32 GLU C C 32 177.300 177.300 178.457 -1.157 17821
2093 1 7 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.507 -2.607 17821
2094 1 7 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.884 -2.884 17821
2095 1 7 . 1 1 32 32 GLU H H 32 8.720 8.720 8.856 -0.136 17821
2096 1 7 . 1 1 33 33 THR N N 33 110.800 110.800 112.407 -1.607 17821
2097 1 7 . 1 1 33 33 THR HA H 33 4.040 4.040 4.105 -0.065 17821
2098 1 7 . 1 1 33 33 THR C C 33 176.000 176.000 176.140 -0.140 17821
2099 1 7 . 1 1 33 33 THR CA C 33 61.700 61.700 66.622 -4.922 17821
2100 1 7 . 1 1 33 33 THR CB C 33 64.100 64.100 68.686 -4.587 17821
2101 1 7 . 1 1 33 33 THR H H 33 7.620 7.620 8.281 -0.661 17821
2102 1 7 . 1 1 34 34 LYS N N 34 127.100 127.100 122.177 4.923 17821
2103 1 7 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.809 -0.889 17821
2104 1 7 . 1 1 34 34 LYS C C 34 174.300 174.300 178.257 -3.957 17821
2105 1 7 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.232 -1.932 17821
2106 1 7 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.501 -1.501 17821
2107 1 7 . 1 1 34 34 LYS H H 34 7.740 7.740 8.118 -0.378 17821
2108 1 7 . 1 1 35 35 LYS N N 35 118.500 118.500 120.281 -1.781 17821
2109 1 7 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.094 -0.204 17821
2110 1 7 . 1 1 35 35 LYS C C 35 176.500 176.500 178.935 -2.435 17821
2111 1 7 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.224 -2.524 17821
2112 1 7 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.000 -2.500 17821
2113 1 7 . 1 1 35 35 LYS H H 35 7.880 7.880 8.171 -0.291 17821
2114 1 7 . 1 1 36 36 ALA N N 36 120.100 120.100 121.702 -1.602 17821
2115 1 7 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.180 -0.140 17821
2116 1 7 . 1 1 36 36 ALA C C 36 177.600 177.600 179.577 -1.977 17821
2117 1 7 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.806 -2.806 17821
2118 1 7 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.368 -2.968 17821
2119 1 7 . 1 1 36 36 ALA H H 36 7.490 7.490 8.092 -0.602 17821
2120 1 7 . 1 1 37 37 ARG N N 37 118.500 118.500 119.472 -0.972 17821
2121 1 7 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.938 -0.318 17821
2122 1 7 . 1 1 37 37 ARG C C 37 174.100 174.100 177.800 -3.700 17821
2123 1 7 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.798 -3.198 17821
2124 1 7 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.156 -3.056 17821
2125 1 7 . 1 1 37 37 ARG H H 37 7.630 7.630 8.186 -0.556 17821
2126 1 7 . 1 1 38 38 ASP N N 38 120.200 120.200 119.715 0.485 17821
2127 1 7 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.278 -0.008 17821
2128 1 7 . 1 1 38 38 ASP C C 38 175.500 175.500 178.477 -2.977 17821
2129 1 7 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.315 -2.615 17821
2130 1 7 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.147 -3.947 17821
2131 1 7 . 1 1 38 38 ASP H H 38 8.680 8.680 8.320 0.360 17821
2132 1 7 . 1 1 39 39 ALA N N 39 121.100 121.100 122.035 -0.935 17821
2133 1 7 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.051 -0.041 17821
2134 1 7 . 1 1 39 39 ALA C C 39 176.800 176.800 179.605 -2.805 17821
2135 1 7 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.384 -3.284 17821
2136 1 7 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.245 -3.045 17821
2137 1 7 . 1 1 39 39 ALA H H 39 8.040 8.040 8.046 -0.006 17821
2138 1 7 . 1 1 40 40 CYS N N 40 117.600 117.600 117.886 -0.286 17821
2139 1 7 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.216 -0.036 17821
2140 1 7 . 1 1 40 40 CYS C C 40 173.800 173.800 176.965 -3.165 17821
2141 1 7 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.862 -4.962 17821
2142 1 7 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.039 10.361 17821
2143 1 7 . 1 1 40 40 CYS H H 40 7.340 7.340 8.026 -0.686 17821
2144 1 7 . 1 1 41 41 ILE N N 41 121.500 121.500 121.041 0.459 17821
2145 1 7 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.730 -0.680 17821
2146 1 7 . 1 1 41 41 ILE C C 41 176.100 176.100 178.363 -2.263 17821
2147 1 7 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.579 -1.179 17821
2148 1 7 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.724 -2.425 17821
2149 1 7 . 1 1 41 41 ILE H H 41 8.230 8.230 8.502 -0.272 17821
2150 1 7 . 1 1 42 42 ILE N N 42 119.200 119.200 120.224 -1.024 17821
2151 1 7 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.664 0.026 17821
2152 1 7 . 1 1 42 42 ILE C C 42 174.200 174.200 177.963 -3.763 17821
2153 1 7 . 1 1 42 42 ILE CA C 42 61.300 61.300 65.075 -3.775 17821
2154 1 7 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.968 -2.167 17821
2155 1 7 . 1 1 42 42 ILE H H 42 7.770 7.770 8.300 -0.530 17821
2156 1 7 . 1 1 43 43 GLU N N 43 118.700 118.700 118.385 0.315 17821
2157 1 7 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.208 -0.158 17821
2158 1 7 . 1 1 43 43 GLU C C 43 175.300 175.300 177.791 -2.491 17821
2159 1 7 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.714 -2.414 17821
2160 1 7 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.331 -2.131 17821
2161 1 7 . 1 1 43 43 GLU H H 43 7.600 7.600 8.335 -0.735 17821
2162 1 7 . 1 1 44 44 LYS N N 44 114.600 114.600 115.736 -1.136 17821
2163 1 7 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.667 -0.217 17821
2164 1 7 . 1 1 44 44 LYS C C 44 174.500 174.500 176.497 -1.997 17821
2165 1 7 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.163 -2.363 17821
2166 1 7 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.519 -2.819 17821
2167 1 7 . 1 1 44 44 LYS H H 44 8.860 8.860 8.229 0.631 17821
2168 1 7 . 1 1 45 45 GLY N N 45 108.700 108.700 109.118 -0.418 17821
2169 1 7 . 1 1 45 45 GLY C C 45 171.000 171.000 175.023 -4.023 17821
2170 1 7 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.451 -3.151 17821
2171 1 7 . 1 1 45 45 GLY H H 45 7.690 7.690 7.695 -0.005 17821
2172 1 7 . 1 1 46 46 GLU N N 46 120.800 120.800 122.175 -1.375 17821
2173 1 7 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.942 -0.502 17821
2174 1 7 . 1 1 46 46 GLU C C 46 175.800 175.800 178.170 -2.370 17821
2175 1 7 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.357 -1.057 17821
2176 1 7 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.446 -2.346 17821
2177 1 7 . 1 1 46 46 GLU H H 46 8.900 8.900 8.945 -0.045 17821
2178 1 7 . 1 1 47 47 GLU N N 47 118.700 118.700 116.996 1.704 17821
2179 1 7 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.184 -0.244 17821
2180 1 7 . 1 1 47 47 GLU C C 47 174.300 174.300 177.354 -3.054 17821
2181 1 7 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.552 -1.652 17821
2182 1 7 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.906 -3.406 17821
2183 1 7 . 1 1 47 47 GLU H H 47 9.530 9.530 8.553 0.977 17821
2184 1 7 . 1 1 48 48 HIS N N 48 117.500 117.500 116.519 0.981 17821
2185 1 7 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.919 -0.049 17821
2186 1 7 . 1 1 48 48 HIS C C 48 173.300 173.300 174.139 -0.839 17821
2187 1 7 . 1 1 48 48 HIS CA C 48 53.100 53.100 54.536 -1.436 17821
2188 1 7 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.501 -1.601 17821
2189 1 7 . 1 1 48 48 HIS H H 48 7.500 7.500 7.770 -0.270 17821
2190 1 7 . 1 1 49 49 CYS N N 49 116.100 116.100 118.695 -2.595 17821
2191 1 7 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.867 0.183 17821
2192 1 7 . 1 1 49 49 CYS C C 49 173.700 173.700 175.502 -1.802 17821
2193 1 7 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.129 -6.429 17821
2194 1 7 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.699 11.801 17821
2195 1 7 . 1 1 49 49 CYS H H 49 7.460 7.460 7.396 0.064 17821
2196 1 7 . 1 1 50 50 GLY N N 50 112.900 112.900 111.385 1.515 17821
2197 1 7 . 1 1 50 50 GLY C C 50 172.500 172.500 175.748 -3.248 17821
2198 1 7 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.584 -2.284 17821
2199 1 7 . 1 1 50 50 GLY H H 50 9.150 9.150 8.616 0.534 17821
2200 1 7 . 1 1 51 51 HIS C C 51 175.400 175.400 176.847 -1.447 17821
2201 1 7 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.042 -1.642 17821
2202 1 7 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.579 -3.579 17821
2203 1 7 . 1 1 52 52 LEU N N 52 122.000 122.000 121.552 0.448 17821
2204 1 7 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.245 -0.135 17821
2205 1 7 . 1 1 52 52 LEU C C 52 177.700 177.700 179.023 -1.323 17821
2206 1 7 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.207 -3.407 17821
2207 1 7 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.410 -1.910 17821
2208 1 7 . 1 1 52 52 LEU H H 52 6.810 6.810 7.487 -0.677 17821
2209 1 7 . 1 1 53 53 ILE N N 53 124.200 124.200 120.828 3.372 17821
2210 1 7 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.624 -0.194 17821
2211 1 7 . 1 1 53 53 ILE C C 53 176.100 176.100 178.301 -2.201 17821
2212 1 7 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.236 -3.035 17821
2213 1 7 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.882 -1.982 17821
2214 1 7 . 1 1 53 53 ILE H H 53 8.170 8.170 8.734 -0.564 17821
2215 1 7 . 1 1 54 54 GLU N N 54 120.600 120.600 119.977 0.623 17821
2216 1 7 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.953 0.077 17821
2217 1 7 . 1 1 54 54 GLU C C 54 175.400 175.400 178.678 -3.278 17821
2218 1 7 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.860 -3.760 17821
2219 1 7 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.558 -3.558 17821
2220 1 7 . 1 1 54 54 GLU H H 54 8.380 8.380 8.222 0.158 17821
2221 1 7 . 1 1 55 55 ALA N N 55 120.800 120.800 122.410 -1.610 17821
2222 1 7 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.092 0.028 17821
2223 1 7 . 1 1 55 55 ALA C C 55 177.900 177.900 179.361 -1.461 17821
2224 1 7 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.047 -2.847 17821
2225 1 7 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.296 -3.196 17821
2226 1 7 . 1 1 55 55 ALA H H 55 7.880 7.880 7.944 -0.064 17821
2227 1 7 . 1 1 56 56 HIS N N 56 117.400 117.400 119.149 -1.749 17821
2228 1 7 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.284 0.016 17821
2229 1 7 . 1 1 56 56 HIS C C 56 173.500 173.500 177.277 -3.777 17821
2230 1 7 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.955 -2.955 17821
2231 1 7 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.482 -2.182 17821
2232 1 7 . 1 1 56 56 HIS H H 56 7.640 7.640 8.579 -0.939 17821
2233 1 7 . 1 1 57 57 LYS N N 57 119.200 119.200 118.956 0.244 17821
2234 1 7 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.834 -0.234 17821
2235 1 7 . 1 1 57 57 LYS C C 57 176.200 176.200 178.868 -2.668 17821
2236 1 7 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.727 -2.127 17821
2237 1 7 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.997 -2.497 17821
2238 1 7 . 1 1 57 57 LYS H H 57 7.620 7.620 8.224 -0.604 17821
2239 1 7 . 1 1 58 58 GLU N N 58 118.400 118.400 120.022 -1.622 17821
2240 1 7 . 1 1 58 58 GLU HA H 58 3.970 3.970 3.995 -0.025 17821
2241 1 7 . 1 1 58 58 GLU C C 58 176.200 176.200 178.827 -2.627 17821
2242 1 7 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.270 -3.071 17821
2243 1 7 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.358 -3.058 17821
2244 1 7 . 1 1 58 58 GLU H H 58 8.490 8.490 8.383 0.107 17821
2245 1 7 . 1 1 59 59 SER N N 59 116.100 116.100 115.085 1.015 17821
2246 1 7 . 1 1 59 59 SER HA H 59 4.150 4.150 4.246 -0.096 17821
2247 1 7 . 1 1 59 59 SER CA C 59 58.400 58.400 61.054 -2.654 17821
2248 1 7 . 1 1 59 59 SER CB C 59 60.300 60.300 63.141 -2.841 17821
2249 1 7 . 1 1 59 59 SER H H 59 7.790 7.790 7.970 -0.180 17821
2250 1 7 . 1 1 60 60 MET N N 60 117.500 117.500 118.691 -1.191 17821
2251 1 7 . 1 1 60 60 MET HA H 60 4.170 4.170 4.374 -0.204 17821
2252 1 7 . 1 1 60 60 MET C C 60 176.400 176.400 177.516 -1.116 17821
2253 1 7 . 1 1 60 60 MET CA C 60 54.400 54.400 56.645 -2.245 17821
2254 1 7 . 1 1 60 60 MET CB C 60 29.100 29.100 32.852 -3.752 17821
2255 1 7 . 1 1 60 60 MET H H 60 7.880 7.880 7.853 0.027 17821
2256 1 7 . 1 1 61 61 ARG N N 61 121.300 121.300 121.811 -0.511 17821
2257 1 7 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.146 0.024 17821
2258 1 7 . 1 1 61 61 ARG C C 61 177.500 177.500 178.832 -1.332 17821
2259 1 7 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.286 -3.186 17821
2260 1 7 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.273 -2.773 17821
2261 1 7 . 1 1 61 61 ARG H H 61 8.290 8.290 8.298 -0.008 17821
2262 1 7 . 1 1 62 62 ALA N N 62 123.200 123.200 122.906 0.294 17821
2263 1 7 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.085 -0.015 17821
2264 1 7 . 1 1 62 62 ALA C C 62 176.400 176.400 178.588 -2.188 17821
2265 1 7 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.453 -2.953 17821
2266 1 7 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.411 -3.311 17821
2267 1 7 . 1 1 62 62 ALA H H 62 7.950 7.950 7.990 -0.040 17821
2268 1 7 . 1 1 63 63 LEU N N 63 117.500 117.500 117.720 -0.220 17821
2269 1 7 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.156 0.044 17821
2270 1 7 . 1 1 63 63 LEU C C 63 174.400 174.400 177.738 -3.338 17821
2271 1 7 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.300 -1.400 17821
2272 1 7 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.066 -1.266 17821
2273 1 7 . 1 1 63 63 LEU H H 63 7.450 7.450 7.246 0.204 17821
2274 1 7 . 1 1 64 64 GLY N N 64 106.300 106.300 108.074 -1.774 17821
2275 1 7 . 1 1 64 64 GLY C C 64 171.400 171.400 175.019 -3.619 17821
2276 1 7 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.979 -3.879 17821
2277 1 7 . 1 1 64 64 GLY H H 64 7.780 7.780 7.831 -0.051 17821
2278 1 7 . 1 1 65 65 PHE N N 65 119.800 119.800 115.368 4.432 17821
2279 1 7 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.816 -0.346 17821
2280 1 7 . 1 1 65 65 PHE C C 65 172.300 172.300 174.357 -2.057 17821
2281 1 7 . 1 1 65 65 PHE CA C 65 54.900 54.900 54.642 0.258 17821
2282 1 7 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.124 -2.224 17821
2283 1 7 . 1 1 65 65 PHE H H 65 7.840 7.840 7.274 0.566 17821
2284 1 7 . 1 1 66 66 LYS N N 66 124.000 124.000 121.845 2.155 17821
2285 1 7 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.560 -0.300 17821
2286 1 7 . 1 1 66 66 LYS C C 66 172.200 172.200 175.625 -3.425 17821
2287 1 7 . 1 1 66 66 LYS CA C 66 53.200 53.200 55.485 -2.285 17821
2288 1 7 . 1 1 66 66 LYS CB C 66 29.300 29.300 34.769 -5.469 17821
2289 1 7 . 1 1 66 66 LYS H H 66 8.370 8.370 7.709 0.661 17821
2290 1 8 . 1 1 4 4 THR N N 4 117.400 117.400 117.681 -0.281 17821
2291 1 8 . 1 1 4 4 THR HA H 4 4.130 4.130 4.495 -0.365 17821
2292 1 8 . 1 1 4 4 THR C C 4 170.800 170.800 172.552 -1.752 17821
2293 1 8 . 1 1 4 4 THR CA C 4 58.800 58.800 60.721 -1.921 17821
2294 1 8 . 1 1 4 4 THR CB C 4 67.000 67.000 70.326 -3.326 17821
2295 1 8 . 1 1 4 4 THR H H 4 7.980 7.980 7.675 0.305 17821
2296 1 8 . 1 1 5 5 MET N N 5 124.400 124.400 121.078 3.322 17821
2297 1 8 . 1 1 5 5 MET C C 5 171.200 171.200 175.036 -3.836 17821
2298 1 8 . 1 1 5 5 MET CA C 5 50.400 50.400 52.921 -2.521 17821
2299 1 8 . 1 1 5 5 MET CB C 5 29.600 29.600 31.611 -2.011 17821
2300 1 8 . 1 1 5 5 MET H H 5 8.250 8.250 8.441 -0.191 17821
2301 1 8 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.372 -0.092 17821
2302 1 8 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.277 -2.777 17821
2303 1 8 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.117 -2.917 17821
2304 1 8 . 1 1 7 7 GLY N N 7 109.000 109.000 111.920 -2.920 17821
2305 1 8 . 1 1 7 7 GLY C C 7 171.200 171.200 175.556 -4.356 17821
2306 1 8 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.460 -3.060 17821
2307 1 8 . 1 1 7 7 GLY H H 7 8.360 8.360 8.481 -0.121 17821
2308 1 8 . 1 1 8 8 LEU N N 8 121.700 121.700 119.725 1.975 17821
2309 1 8 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.396 -0.136 17821
2310 1 8 . 1 1 8 8 LEU C C 8 174.600 174.600 175.933 -1.333 17821
2311 1 8 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.800 -2.500 17821
2312 1 8 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.767 -0.367 17821
2313 1 8 . 1 1 8 8 LEU H H 8 7.920 7.920 8.186 -0.266 17821
2314 1 8 . 1 1 9 9 VAL N N 9 120.900 120.900 117.703 3.197 17821
2315 1 8 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.345 -0.365 17821
2316 1 8 . 1 1 9 9 VAL C C 9 172.900 172.900 175.215 -2.315 17821
2317 1 8 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.983 -1.583 17821
2318 1 8 . 1 1 9 9 VAL CB C 9 30.000 30.000 32.958 -2.958 17821
2319 1 8 . 1 1 9 9 VAL H H 9 8.050 8.050 7.837 0.213 17821
2320 1 8 . 1 1 10 10 ASP N N 10 124.300 124.300 127.266 -2.966 17821
2321 1 8 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.736 -0.266 17821
2322 1 8 . 1 1 10 10 ASP C C 10 173.100 173.100 175.569 -2.469 17821
2323 1 8 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.392 -2.892 17821
2324 1 8 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.227 -1.927 17821
2325 1 8 . 1 1 10 10 ASP H H 10 8.300 8.300 8.559 -0.259 17821
2326 1 8 . 1 1 11 11 SER N N 11 116.400 116.400 118.100 -1.700 17821
2327 1 8 . 1 1 11 11 SER HA H 11 4.290 4.290 4.764 -0.474 17821
2328 1 8 . 1 1 11 11 SER C C 11 171.200 171.200 173.786 -2.586 17821
2329 1 8 . 1 1 11 11 SER CA C 11 55.500 55.500 57.428 -1.928 17821
2330 1 8 . 1 1 11 11 SER CB C 11 60.900 60.900 64.856 -3.956 17821
2331 1 8 . 1 1 11 11 SER H H 11 8.130 8.130 8.001 0.129 17821
2332 1 8 . 1 1 12 12 ASN N N 12 121.600 121.600 121.339 0.261 17821
2333 1 8 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.154 -0.924 17821
2334 1 8 . 1 1 12 12 ASN C C 12 170.000 170.000 173.841 -3.841 17821
2335 1 8 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.406 5.094 17821
2336 1 8 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.135 -2.135 17821
2337 1 8 . 1 1 12 12 ASN H H 12 8.360 8.360 8.438 -0.079 17821
2338 1 8 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.558 -0.268 17821
2339 1 8 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.755 -2.455 17821
2340 1 8 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.562 -3.362 17821
2341 1 8 . 1 1 14 14 ALA N N 14 125.700 125.700 124.367 1.333 17821
2342 1 8 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.606 -0.196 17821
2343 1 8 . 1 1 14 14 ALA C C 14 172.200 172.200 175.522 -3.322 17821
2344 1 8 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.235 -2.735 17821
2345 1 8 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.980 -3.880 17821
2346 1 8 . 1 1 14 14 ALA H H 14 8.260 8.260 8.181 0.079 17821
2347 1 8 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.436 -0.156 17821
2348 1 8 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.735 -2.235 17821
2349 1 8 . 1 1 16 16 PRO CB C 16 29.200 29.200 30.820 -1.619 17821
2350 1 8 . 1 1 17 17 GLU N N 17 120.600 120.600 119.707 0.893 17821
2351 1 8 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.290 -0.170 17821
2352 1 8 . 1 1 17 17 GLU C C 17 173.900 173.900 176.214 -2.314 17821
2353 1 8 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.352 -1.252 17821
2354 1 8 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.272 -3.172 17821
2355 1 8 . 1 1 17 17 GLU H H 17 8.550 8.550 7.830 0.720 17821
2356 1 8 . 1 1 18 18 SER N N 18 116.400 116.400 115.796 0.604 17821
2357 1 8 . 1 1 18 18 SER HA H 18 4.310 4.310 4.375 -0.065 17821
2358 1 8 . 1 1 18 18 SER C C 18 171.900 171.900 175.102 -3.202 17821
2359 1 8 . 1 1 18 18 SER CA C 18 55.600 55.600 58.621 -3.021 17821
2360 1 8 . 1 1 18 18 SER CB C 18 60.800 60.800 63.241 -2.441 17821
2361 1 8 . 1 1 18 18 SER H H 18 8.240 8.240 8.361 -0.121 17821
2362 1 8 . 1 1 19 19 GLN N N 19 122.300 122.300 123.876 -1.576 17821
2363 1 8 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.417 -0.217 17821
2364 1 8 . 1 1 19 19 GLN C C 19 173.100 173.100 175.293 -2.193 17821
2365 1 8 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.706 -3.706 17821
2366 1 8 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.194 -2.694 17821
2367 1 8 . 1 1 19 19 GLN H H 19 8.310 8.310 8.607 -0.297 17821
2368 1 8 . 1 1 20 20 GLU N N 20 121.600 121.600 118.653 2.947 17821
2369 1 8 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.594 -0.304 17821
2370 1 8 . 1 1 20 20 GLU C C 20 173.500 173.500 174.632 -1.132 17821
2371 1 8 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.348 -1.448 17821
2372 1 8 . 1 1 20 20 GLU CB C 20 27.400 27.400 32.806 -5.406 17821
2373 1 8 . 1 1 20 20 GLU H H 20 8.240 8.240 7.809 0.431 17821
2374 1 8 . 1 1 21 21 LYS N N 21 122.900 122.900 122.407 0.493 17821
2375 1 8 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.147 0.033 17821
2376 1 8 . 1 1 21 21 LYS C C 21 173.400 173.400 176.142 -2.742 17821
2377 1 8 . 1 1 21 21 LYS CA C 21 53.300 53.300 57.120 -3.820 17821
2378 1 8 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.910 -3.111 17821
2379 1 8 . 1 1 21 21 LYS H H 21 8.260 8.260 8.169 0.091 17821
2380 1 8 . 1 1 22 22 LYS N N 22 124.000 124.000 126.761 -2.761 17821
2381 1 8 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.542 -0.092 17821
2382 1 8 . 1 1 22 22 LYS C C 22 171.500 171.500 174.572 -3.072 17821
2383 1 8 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.473 -3.273 17821
2384 1 8 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.286 -2.786 17821
2385 1 8 . 1 1 22 22 LYS H H 22 8.220 8.220 8.322 -0.102 17821
2386 1 8 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.447 -0.157 17821
2387 1 8 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.901 -2.801 17821
2388 1 8 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.156 -2.956 17821
2389 1 8 . 1 1 24 24 LEU N N 24 122.700 122.700 119.155 3.545 17821
2390 1 8 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.629 -0.469 17821
2391 1 8 . 1 1 24 24 LEU C C 24 174.400 174.400 176.121 -1.721 17821
2392 1 8 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.166 -2.766 17821
2393 1 8 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.116 -2.516 17821
2394 1 8 . 1 1 24 24 LEU H H 24 8.270 8.270 8.212 0.058 17821
2395 1 8 . 1 1 25 25 LYS N N 25 123.400 123.400 124.331 -0.931 17821
2396 1 8 . 1 1 25 25 LYS C C 25 171.600 171.600 174.412 -2.812 17821
2397 1 8 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.239 -2.339 17821
2398 1 8 . 1 1 25 25 LYS CB C 25 29.800 29.800 34.397 -4.597 17821
2399 1 8 . 1 1 25 25 LYS H H 25 8.180 8.180 8.443 -0.263 17821
2400 1 8 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.915 -13.915 17821
2401 1 8 . 1 1 28 28 CYS CB C 28 31.000 31.000 25.316 5.684 17821
2402 1 8 . 1 1 29 29 ALA N N 29 123.800 123.800 127.843 -4.043 17821
2403 1 8 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.633 -0.483 17821
2404 1 8 . 1 1 29 29 ALA C C 29 173.200 173.200 176.412 -3.212 17821
2405 1 8 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.190 -1.490 17821
2406 1 8 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.274 -3.674 17821
2407 1 8 . 1 1 29 29 ALA H H 29 8.050 8.050 7.817 0.233 17821
2408 1 8 . 1 1 30 30 SER N N 30 112.800 112.800 115.554 -2.754 17821
2409 1 8 . 1 1 30 30 SER HA H 30 4.580 4.580 4.962 -0.382 17821
2410 1 8 . 1 1 30 30 SER C C 30 173.300 173.300 173.891 -0.591 17821
2411 1 8 . 1 1 30 30 SER CA C 30 52.600 52.600 56.308 -3.708 17821
2412 1 8 . 1 1 30 30 SER CB C 30 59.400 59.400 63.456 -4.056 17821
2413 1 8 . 1 1 30 30 SER H H 30 8.270 8.270 8.726 -0.456 17821
2414 1 8 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.305 -0.145 17821
2415 1 8 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.632 -2.832 17821
2416 1 8 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.954 -2.654 17821
2417 1 8 . 1 1 32 32 GLU N N 32 119.100 119.100 118.357 0.743 17821
2418 1 8 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.998 0.062 17821
2419 1 8 . 1 1 32 32 GLU C C 32 177.300 177.300 178.456 -1.156 17821
2420 1 8 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.254 -2.354 17821
2421 1 8 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.295 -2.295 17821
2422 1 8 . 1 1 32 32 GLU H H 32 8.720 8.720 8.783 -0.063 17821
2423 1 8 . 1 1 33 33 THR N N 33 110.800 110.800 112.557 -1.757 17821
2424 1 8 . 1 1 33 33 THR HA H 33 4.040 4.040 4.065 -0.025 17821
2425 1 8 . 1 1 33 33 THR C C 33 176.000 176.000 176.503 -0.503 17821
2426 1 8 . 1 1 33 33 THR CA C 33 61.700 61.700 65.875 -4.175 17821
2427 1 8 . 1 1 33 33 THR CB C 33 64.100 64.100 68.782 -4.682 17821
2428 1 8 . 1 1 33 33 THR H H 33 7.620 7.620 8.116 -0.496 17821
2429 1 8 . 1 1 34 34 LYS N N 34 127.100 127.100 122.505 4.595 17821
2430 1 8 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.787 -0.867 17821
2431 1 8 . 1 1 34 34 LYS C C 34 174.300 174.300 178.466 -4.166 17821
2432 1 8 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.062 -1.762 17821
2433 1 8 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.753 -1.753 17821
2434 1 8 . 1 1 34 34 LYS H H 34 7.740 7.740 7.868 -0.128 17821
2435 1 8 . 1 1 35 35 LYS N N 35 118.500 118.500 118.688 -0.188 17821
2436 1 8 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.107 -0.217 17821
2437 1 8 . 1 1 35 35 LYS C C 35 176.500 176.500 178.901 -2.401 17821
2438 1 8 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.782 -2.083 17821
2439 1 8 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.767 -2.267 17821
2440 1 8 . 1 1 35 35 LYS H H 35 7.880 7.880 8.448 -0.568 17821
2441 1 8 . 1 1 36 36 ALA N N 36 120.100 120.100 122.412 -2.312 17821
2442 1 8 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.181 -0.141 17821
2443 1 8 . 1 1 36 36 ALA C C 36 177.600 177.600 179.481 -1.881 17821
2444 1 8 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.912 -2.912 17821
2445 1 8 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.372 -2.972 17821
2446 1 8 . 1 1 36 36 ALA H H 36 7.490 7.490 8.056 -0.566 17821
2447 1 8 . 1 1 37 37 ARG N N 37 118.500 118.500 119.500 -1.000 17821
2448 1 8 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.912 -0.292 17821
2449 1 8 . 1 1 37 37 ARG C C 37 174.100 174.100 177.890 -3.790 17821
2450 1 8 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.958 -3.358 17821
2451 1 8 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.120 -3.020 17821
2452 1 8 . 1 1 37 37 ARG H H 37 7.630 7.630 8.312 -0.682 17821
2453 1 8 . 1 1 38 38 ASP N N 38 120.200 120.200 119.478 0.722 17821
2454 1 8 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.309 -0.039 17821
2455 1 8 . 1 1 38 38 ASP C C 38 175.500 175.500 178.567 -3.067 17821
2456 1 8 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.283 -2.583 17821
2457 1 8 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.154 -3.954 17821
2458 1 8 . 1 1 38 38 ASP H H 38 8.680 8.680 8.327 0.353 17821
2459 1 8 . 1 1 39 39 ALA N N 39 121.100 121.100 122.282 -1.182 17821
2460 1 8 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.061 -0.051 17821
2461 1 8 . 1 1 39 39 ALA C C 39 176.800 176.800 179.587 -2.787 17821
2462 1 8 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.337 -3.237 17821
2463 1 8 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.267 -3.067 17821
2464 1 8 . 1 1 39 39 ALA H H 39 8.040 8.040 8.045 -0.005 17821
2465 1 8 . 1 1 40 40 CYS N N 40 117.600 117.600 117.773 -0.173 17821
2466 1 8 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.173 0.007 17821
2467 1 8 . 1 1 40 40 CYS C C 40 173.800 173.800 176.983 -3.183 17821
2468 1 8 . 1 1 40 40 CYS CA C 40 57.900 57.900 63.003 -5.103 17821
2469 1 8 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.052 10.348 17821
2470 1 8 . 1 1 40 40 CYS H H 40 7.340 7.340 8.203 -0.863 17821
2471 1 8 . 1 1 41 41 ILE N N 41 121.500 121.500 120.719 0.781 17821
2472 1 8 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.851 -0.801 17821
2473 1 8 . 1 1 41 41 ILE C C 41 176.100 176.100 178.424 -2.324 17821
2474 1 8 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.620 -1.220 17821
2475 1 8 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.852 -2.552 17821
2476 1 8 . 1 1 41 41 ILE H H 41 8.230 8.230 8.430 -0.200 17821
2477 1 8 . 1 1 42 42 ILE N N 42 119.200 119.200 119.894 -0.694 17821
2478 1 8 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.719 -0.029 17821
2479 1 8 . 1 1 42 42 ILE C C 42 174.200 174.200 177.594 -3.394 17821
2480 1 8 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.533 -3.233 17821
2481 1 8 . 1 1 42 42 ILE CB C 42 35.800 35.800 38.043 -2.243 17821
2482 1 8 . 1 1 42 42 ILE H H 42 7.770 7.770 8.015 -0.245 17821
2483 1 8 . 1 1 43 43 GLU N N 43 118.700 118.700 118.418 0.282 17821
2484 1 8 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.289 -0.239 17821
2485 1 8 . 1 1 43 43 GLU C C 43 175.300 175.300 177.603 -2.303 17821
2486 1 8 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.348 -2.048 17821
2487 1 8 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.705 -2.505 17821
2488 1 8 . 1 1 43 43 GLU H H 43 7.600 7.600 8.373 -0.773 17821
2489 1 8 . 1 1 44 44 LYS N N 44 114.600 114.600 116.772 -2.172 17821
2490 1 8 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.632 -0.182 17821
2491 1 8 . 1 1 44 44 LYS C C 44 174.500 174.500 176.705 -2.205 17821
2492 1 8 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.167 -2.367 17821
2493 1 8 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.328 -2.628 17821
2494 1 8 . 1 1 44 44 LYS H H 44 8.860 8.860 8.226 0.634 17821
2495 1 8 . 1 1 45 45 GLY N N 45 108.700 108.700 109.117 -0.417 17821
2496 1 8 . 1 1 45 45 GLY C C 45 171.000 171.000 175.180 -4.180 17821
2497 1 8 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.449 -3.149 17821
2498 1 8 . 1 1 45 45 GLY H H 45 7.690 7.690 7.768 -0.078 17821
2499 1 8 . 1 1 46 46 GLU N N 46 120.800 120.800 122.323 -1.523 17821
2500 1 8 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.802 -0.362 17821
2501 1 8 . 1 1 46 46 GLU C C 46 175.800 175.800 178.307 -2.507 17821
2502 1 8 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.607 -1.307 17821
2503 1 8 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.506 -2.406 17821
2504 1 8 . 1 1 46 46 GLU H H 46 8.900 8.900 8.892 0.008 17821
2505 1 8 . 1 1 47 47 GLU N N 47 118.700 118.700 118.246 0.454 17821
2506 1 8 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.063 -0.123 17821
2507 1 8 . 1 1 47 47 GLU C C 47 174.300 174.300 177.589 -3.289 17821
2508 1 8 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.248 -2.348 17821
2509 1 8 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.763 -3.263 17821
2510 1 8 . 1 1 47 47 GLU H H 47 9.530 9.530 8.690 0.840 17821
2511 1 8 . 1 1 48 48 HIS N N 48 117.500 117.500 115.479 2.021 17821
2512 1 8 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.879 -0.009 17821
2513 1 8 . 1 1 48 48 HIS C C 48 173.300 173.300 174.050 -0.750 17821
2514 1 8 . 1 1 48 48 HIS CA C 48 53.100 53.100 54.399 -1.299 17821
2515 1 8 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.478 -1.578 17821
2516 1 8 . 1 1 48 48 HIS H H 48 7.500 7.500 7.868 -0.368 17821
2517 1 8 . 1 1 49 49 CYS N N 49 116.100 116.100 117.895 -1.795 17821
2518 1 8 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.914 0.136 17821
2519 1 8 . 1 1 49 49 CYS C C 49 173.700 173.700 175.889 -2.189 17821
2520 1 8 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.190 -6.490 17821
2521 1 8 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.383 12.117 17821
2522 1 8 . 1 1 49 49 CYS H H 49 7.460 7.460 7.679 -0.219 17821
2523 1 8 . 1 1 50 50 GLY N N 50 112.900 112.900 110.179 2.721 17821
2524 1 8 . 1 1 50 50 GLY C C 50 172.500 172.500 175.491 -2.991 17821
2525 1 8 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.443 -2.143 17821
2526 1 8 . 1 1 50 50 GLY H H 50 9.150 9.150 8.695 0.455 17821
2527 1 8 . 1 1 51 51 HIS C C 51 175.400 175.400 177.205 -1.805 17821
2528 1 8 . 1 1 51 51 HIS CA C 51 56.400 56.400 57.191 -0.790 17821
2529 1 8 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.777 -3.777 17821
2530 1 8 . 1 1 52 52 LEU N N 52 122.000 122.000 121.967 0.033 17821
2531 1 8 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.137 -0.027 17821
2532 1 8 . 1 1 52 52 LEU C C 52 177.700 177.700 178.406 -0.706 17821
2533 1 8 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.318 -3.518 17821
2534 1 8 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.244 -1.744 17821
2535 1 8 . 1 1 52 52 LEU H H 52 6.810 6.810 7.689 -0.879 17821
2536 1 8 . 1 1 53 53 ILE N N 53 124.200 124.200 120.389 3.811 17821
2537 1 8 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.683 -0.253 17821
2538 1 8 . 1 1 53 53 ILE C C 53 176.100 176.100 178.355 -2.255 17821
2539 1 8 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.038 -2.838 17821
2540 1 8 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.947 -2.047 17821
2541 1 8 . 1 1 53 53 ILE H H 53 8.170 8.170 8.578 -0.408 17821
2542 1 8 . 1 1 54 54 GLU N N 54 120.600 120.600 120.227 0.373 17821
2543 1 8 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.960 0.070 17821
2544 1 8 . 1 1 54 54 GLU C C 54 175.400 175.400 178.669 -3.269 17821
2545 1 8 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.976 -3.876 17821
2546 1 8 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.696 -3.696 17821
2547 1 8 . 1 1 54 54 GLU H H 54 8.380 8.380 8.218 0.162 17821
2548 1 8 . 1 1 55 55 ALA N N 55 120.800 120.800 121.843 -1.043 17821
2549 1 8 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.014 0.106 17821
2550 1 8 . 1 1 55 55 ALA C C 55 177.900 177.900 179.203 -1.303 17821
2551 1 8 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.287 -3.087 17821
2552 1 8 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.120 -3.021 17821
2553 1 8 . 1 1 55 55 ALA H H 55 7.880 7.880 7.969 -0.089 17821
2554 1 8 . 1 1 56 56 HIS N N 56 117.400 117.400 119.424 -2.024 17821
2555 1 8 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.230 0.070 17821
2556 1 8 . 1 1 56 56 HIS C C 56 173.500 173.500 177.292 -3.792 17821
2557 1 8 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.998 -2.998 17821
2558 1 8 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.351 -2.051 17821
2559 1 8 . 1 1 56 56 HIS H H 56 7.640 7.640 8.610 -0.970 17821
2560 1 8 . 1 1 57 57 LYS N N 57 119.200 119.200 118.746 0.454 17821
2561 1 8 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.855 -0.255 17821
2562 1 8 . 1 1 57 57 LYS C C 57 176.200 176.200 178.996 -2.796 17821
2563 1 8 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.489 -1.889 17821
2564 1 8 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.117 -2.617 17821
2565 1 8 . 1 1 57 57 LYS H H 57 7.620 7.620 8.293 -0.673 17821
2566 1 8 . 1 1 58 58 GLU N N 58 118.400 118.400 120.299 -1.899 17821
2567 1 8 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.026 -0.056 17821
2568 1 8 . 1 1 58 58 GLU C C 58 176.200 176.200 178.937 -2.737 17821
2569 1 8 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.971 -2.771 17821
2570 1 8 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.267 -2.967 17821
2571 1 8 . 1 1 58 58 GLU H H 58 8.490 8.490 8.313 0.177 17821
2572 1 8 . 1 1 59 59 SER N N 59 116.100 116.100 116.122 -0.022 17821
2573 1 8 . 1 1 59 59 SER HA H 59 4.150 4.150 4.175 -0.025 17821
2574 1 8 . 1 1 59 59 SER CA C 59 58.400 58.400 61.625 -3.225 17821
2575 1 8 . 1 1 59 59 SER CB C 59 60.300 60.300 63.233 -2.933 17821
2576 1 8 . 1 1 59 59 SER H H 59 7.790 7.790 8.089 -0.299 17821
2577 1 8 . 1 1 60 60 MET N N 60 117.500 117.500 119.160 -1.660 17821
2578 1 8 . 1 1 60 60 MET HA H 60 4.170 4.170 4.213 -0.043 17821
2579 1 8 . 1 1 60 60 MET C C 60 176.400 176.400 177.547 -1.147 17821
2580 1 8 . 1 1 60 60 MET CA C 60 54.400 54.400 56.378 -1.978 17821
2581 1 8 . 1 1 60 60 MET CB C 60 29.100 29.100 32.007 -2.906 17821
2582 1 8 . 1 1 60 60 MET H H 60 7.880 7.880 8.204 -0.324 17821
2583 1 8 . 1 1 61 61 ARG N N 61 121.300 121.300 121.115 0.185 17821
2584 1 8 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.058 0.112 17821
2585 1 8 . 1 1 61 61 ARG C C 61 177.500 177.500 178.049 -0.549 17821
2586 1 8 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.793 -2.693 17821
2587 1 8 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.111 -2.611 17821
2588 1 8 . 1 1 61 61 ARG H H 61 8.290 8.290 8.261 0.029 17821
2589 1 8 . 1 1 62 62 ALA N N 62 123.200 123.200 121.402 1.798 17821
2590 1 8 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.138 -0.068 17821
2591 1 8 . 1 1 62 62 ALA C C 62 176.400 176.400 178.483 -2.083 17821
2592 1 8 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.757 -2.257 17821
2593 1 8 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.260 -3.160 17821
2594 1 8 . 1 1 62 62 ALA H H 62 7.950 7.950 7.669 0.281 17821
2595 1 8 . 1 1 63 63 LEU N N 63 117.500 117.500 116.673 0.827 17821
2596 1 8 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.016 0.184 17821
2597 1 8 . 1 1 63 63 LEU C C 63 174.400 174.400 177.460 -3.060 17821
2598 1 8 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.600 -1.700 17821
2599 1 8 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.859 -1.059 17821
2600 1 8 . 1 1 63 63 LEU H H 63 7.450 7.450 7.304 0.146 17821
2601 1 8 . 1 1 64 64 GLY N N 64 106.300 106.300 107.865 -1.565 17821
2602 1 8 . 1 1 64 64 GLY C C 64 171.400 171.400 174.876 -3.476 17821
2603 1 8 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.820 -3.720 17821
2604 1 8 . 1 1 64 64 GLY H H 64 7.780 7.780 7.611 0.169 17821
2605 1 8 . 1 1 65 65 PHE N N 65 119.800 119.800 115.357 4.443 17821
2606 1 8 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.922 -0.452 17821
2607 1 8 . 1 1 65 65 PHE C C 65 172.300 172.300 174.716 -2.416 17821
2608 1 8 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.096 -1.196 17821
2609 1 8 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.736 -1.837 17821
2610 1 8 . 1 1 65 65 PHE H H 65 7.840 7.840 7.717 0.123 17821
2611 1 8 . 1 1 66 66 LYS N N 66 124.000 124.000 120.929 3.071 17821
2612 1 8 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.420 -0.160 17821
2613 1 8 . 1 1 66 66 LYS C C 66 172.200 172.200 175.603 -3.403 17821
2614 1 8 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.993 -3.793 17821
2615 1 8 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.471 -4.171 17821
2616 1 8 . 1 1 66 66 LYS H H 66 8.370 8.370 8.312 0.058 17821
2617 1 9 . 1 1 4 4 THR N N 4 117.400 117.400 114.137 3.263 17821
2618 1 9 . 1 1 4 4 THR HA H 4 4.130 4.130 4.224 -0.094 17821
2619 1 9 . 1 1 4 4 THR C C 4 170.800 170.800 173.999 -3.199 17821
2620 1 9 . 1 1 4 4 THR CA C 4 58.800 58.800 62.512 -3.712 17821
2621 1 9 . 1 1 4 4 THR CB C 4 67.000 67.000 69.141 -2.142 17821
2622 1 9 . 1 1 4 4 THR H H 4 7.980 7.980 8.335 -0.355 17821
2623 1 9 . 1 1 5 5 MET N N 5 124.400 124.400 125.301 -0.901 17821
2624 1 9 . 1 1 5 5 MET C C 5 171.200 171.200 174.927 -3.727 17821
2625 1 9 . 1 1 5 5 MET CA C 5 50.400 50.400 53.325 -2.925 17821
2626 1 9 . 1 1 5 5 MET CB C 5 29.600 29.600 32.698 -3.098 17821
2627 1 9 . 1 1 5 5 MET H H 5 8.250 8.250 8.177 0.073 17821
2628 1 9 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.410 -0.130 17821
2629 1 9 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.912 -2.412 17821
2630 1 9 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.111 -2.910 17821
2631 1 9 . 1 1 7 7 GLY N N 7 109.000 109.000 109.286 -0.286 17821
2632 1 9 . 1 1 7 7 GLY C C 7 171.200 171.200 175.018 -3.818 17821
2633 1 9 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.840 -2.440 17821
2634 1 9 . 1 1 7 7 GLY H H 7 8.360 8.360 8.458 -0.098 17821
2635 1 9 . 1 1 8 8 LEU N N 8 121.700 121.700 121.974 -0.274 17821
2636 1 9 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.498 -0.238 17821
2637 1 9 . 1 1 8 8 LEU C C 8 174.600 174.600 176.782 -2.182 17821
2638 1 9 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.004 -2.704 17821
2639 1 9 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.514 -0.113 17821
2640 1 9 . 1 1 8 8 LEU H H 8 7.920 7.920 8.266 -0.346 17821
2641 1 9 . 1 1 9 9 VAL N N 9 120.900 120.900 119.519 1.381 17821
2642 1 9 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.468 -0.488 17821
2643 1 9 . 1 1 9 9 VAL C C 9 172.900 172.900 174.698 -1.798 17821
2644 1 9 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.093 -1.693 17821
2645 1 9 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.773 -4.773 17821
2646 1 9 . 1 1 9 9 VAL H H 9 8.050 8.050 7.781 0.269 17821
2647 1 9 . 1 1 10 10 ASP N N 10 124.300 124.300 123.651 0.649 17821
2648 1 9 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.797 -0.327 17821
2649 1 9 . 1 1 10 10 ASP C C 10 173.100 173.100 176.639 -3.539 17821
2650 1 9 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.334 -1.834 17821
2651 1 9 . 1 1 10 10 ASP CB C 10 38.300 38.300 42.514 -4.214 17821
2652 1 9 . 1 1 10 10 ASP H H 10 8.300 8.300 8.376 -0.076 17821
2653 1 9 . 1 1 11 11 SER N N 11 116.400 116.400 121.968 -5.568 17821
2654 1 9 . 1 1 11 11 SER HA H 11 4.290 4.290 4.426 -0.136 17821
2655 1 9 . 1 1 11 11 SER C C 11 171.200 171.200 173.513 -2.313 17821
2656 1 9 . 1 1 11 11 SER CA C 11 55.500 55.500 57.939 -2.439 17821
2657 1 9 . 1 1 11 11 SER CB C 11 60.900 60.900 62.347 -1.448 17821
2658 1 9 . 1 1 11 11 SER H H 11 8.130 8.130 8.591 -0.461 17821
2659 1 9 . 1 1 12 12 ASN N N 12 121.600 121.600 122.202 -0.602 17821
2660 1 9 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.498 -0.268 17821
2661 1 9 . 1 1 12 12 ASN C C 12 170.000 170.000 174.292 -4.292 17821
2662 1 9 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.777 3.723 17821
2663 1 9 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.821 -2.821 17821
2664 1 9 . 1 1 12 12 ASN H H 12 8.360 8.360 7.696 0.664 17821
2665 1 9 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.412 -0.122 17821
2666 1 9 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.235 -2.935 17821
2667 1 9 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.324 -3.124 17821
2668 1 9 . 1 1 14 14 ALA N N 14 125.700 125.700 126.030 -0.330 17821
2669 1 9 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.436 -0.026 17821
2670 1 9 . 1 1 14 14 ALA C C 14 172.200 172.200 176.277 -4.077 17821
2671 1 9 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.733 -3.233 17821
2672 1 9 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.406 -3.306 17821
2673 1 9 . 1 1 14 14 ALA H H 14 8.260 8.260 8.180 0.080 17821
2674 1 9 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.520 -0.240 17821
2675 1 9 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.195 -2.695 17821
2676 1 9 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.311 -3.111 17821
2677 1 9 . 1 1 17 17 GLU N N 17 120.600 120.600 119.771 0.829 17821
2678 1 9 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.359 -0.239 17821
2679 1 9 . 1 1 17 17 GLU C C 17 173.900 173.900 176.259 -2.359 17821
2680 1 9 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.486 -2.386 17821
2681 1 9 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.915 -2.815 17821
2682 1 9 . 1 1 17 17 GLU H H 17 8.550 8.550 8.776 -0.226 17821
2683 1 9 . 1 1 18 18 SER N N 18 116.400 116.400 114.674 1.726 17821
2684 1 9 . 1 1 18 18 SER HA H 18 4.310 4.310 4.497 -0.187 17821
2685 1 9 . 1 1 18 18 SER C C 18 171.900 171.900 174.829 -2.929 17821
2686 1 9 . 1 1 18 18 SER CA C 18 55.600 55.600 57.917 -2.317 17821
2687 1 9 . 1 1 18 18 SER CB C 18 60.800 60.800 63.479 -2.679 17821
2688 1 9 . 1 1 18 18 SER H H 18 8.240 8.240 7.837 0.403 17821
2689 1 9 . 1 1 19 19 GLN N N 19 122.300 122.300 122.176 0.124 17821
2690 1 9 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.339 -0.139 17821
2691 1 9 . 1 1 19 19 GLN C C 19 173.100 173.100 175.150 -2.050 17821
2692 1 9 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.208 -3.208 17821
2693 1 9 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.487 -2.987 17821
2694 1 9 . 1 1 19 19 GLN H H 19 8.310 8.310 7.884 0.426 17821
2695 1 9 . 1 1 20 20 GLU N N 20 121.600 121.600 123.089 -1.489 17821
2696 1 9 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.509 -0.219 17821
2697 1 9 . 1 1 20 20 GLU C C 20 173.500 173.500 175.362 -1.862 17821
2698 1 9 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.355 -1.455 17821
2699 1 9 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.801 -4.401 17821
2700 1 9 . 1 1 20 20 GLU H H 20 8.240 8.240 8.510 -0.270 17821
2701 1 9 . 1 1 21 21 LYS N N 21 122.900 122.900 122.419 0.481 17821
2702 1 9 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.285 -0.105 17821
2703 1 9 . 1 1 21 21 LYS C C 21 173.400 173.400 176.123 -2.723 17821
2704 1 9 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.726 -3.426 17821
2705 1 9 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.959 -3.159 17821
2706 1 9 . 1 1 21 21 LYS H H 21 8.260 8.260 8.050 0.210 17821
2707 1 9 . 1 1 22 22 LYS N N 22 124.000 124.000 125.092 -1.092 17821
2708 1 9 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.732 -0.282 17821
2709 1 9 . 1 1 22 22 LYS C C 22 171.500 171.500 174.499 -2.999 17821
2710 1 9 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.279 -3.079 17821
2711 1 9 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.678 -3.179 17821
2712 1 9 . 1 1 22 22 LYS H H 22 8.220 8.220 8.737 -0.517 17821
2713 1 9 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.509 -0.219 17821
2714 1 9 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.808 -2.708 17821
2715 1 9 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.326 -3.126 17821
2716 1 9 . 1 1 24 24 LEU N N 24 122.700 122.700 122.137 0.563 17821
2717 1 9 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.535 -0.375 17821
2718 1 9 . 1 1 24 24 LEU C C 24 174.400 174.400 177.255 -2.855 17821
2719 1 9 . 1 1 24 24 LEU CA C 24 52.400 52.400 53.821 -1.421 17821
2720 1 9 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.903 -3.303 17821
2721 1 9 . 1 1 24 24 LEU H H 24 8.270 8.270 8.226 0.044 17821
2722 1 9 . 1 1 25 25 LYS N N 25 123.400 123.400 123.699 -0.299 17821
2723 1 9 . 1 1 25 25 LYS C C 25 171.600 171.600 174.999 -3.399 17821
2724 1 9 . 1 1 25 25 LYS CA C 25 50.900 50.900 55.113 -4.213 17821
2725 1 9 . 1 1 25 25 LYS CB C 25 29.800 29.800 31.940 -2.140 17821
2726 1 9 . 1 1 25 25 LYS H H 25 8.180 8.180 8.324 -0.144 17821
2727 1 9 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.432 -13.432 17821
2728 1 9 . 1 1 28 28 CYS CB C 28 31.000 31.000 25.890 5.110 17821
2729 1 9 . 1 1 29 29 ALA N N 29 123.800 123.800 122.916 0.884 17821
2730 1 9 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.560 -0.410 17821
2731 1 9 . 1 1 29 29 ALA C C 29 173.200 173.200 176.621 -3.421 17821
2732 1 9 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.453 -1.753 17821
2733 1 9 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.229 -2.629 17821
2734 1 9 . 1 1 29 29 ALA H H 29 8.050 8.050 7.809 0.241 17821
2735 1 9 . 1 1 30 30 SER N N 30 112.800 112.800 115.162 -2.362 17821
2736 1 9 . 1 1 30 30 SER HA H 30 4.580 4.580 4.829 -0.249 17821
2737 1 9 . 1 1 30 30 SER C C 30 173.300 173.300 173.782 -0.482 17821
2738 1 9 . 1 1 30 30 SER CA C 30 52.600 52.600 56.317 -3.717 17821
2739 1 9 . 1 1 30 30 SER CB C 30 59.400 59.400 62.631 -3.231 17821
2740 1 9 . 1 1 30 30 SER H H 30 8.270 8.270 8.377 -0.107 17821
2741 1 9 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.349 -0.189 17821
2742 1 9 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.736 -2.936 17821
2743 1 9 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.000 -2.700 17821
2744 1 9 . 1 1 32 32 GLU N N 32 119.100 119.100 118.198 0.902 17821
2745 1 9 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.078 -0.018 17821
2746 1 9 . 1 1 32 32 GLU C C 32 177.300 177.300 178.197 -0.897 17821
2747 1 9 . 1 1 32 32 GLU CA C 32 56.900 56.900 60.348 -3.448 17821
2748 1 9 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.701 -2.700 17821
2749 1 9 . 1 1 32 32 GLU H H 32 8.720 8.720 8.876 -0.156 17821
2750 1 9 . 1 1 33 33 THR N N 33 110.800 110.800 112.216 -1.416 17821
2751 1 9 . 1 1 33 33 THR HA H 33 4.040 4.040 4.057 -0.017 17821
2752 1 9 . 1 1 33 33 THR C C 33 176.000 176.000 176.404 -0.404 17821
2753 1 9 . 1 1 33 33 THR CA C 33 61.700 61.700 65.581 -3.881 17821
2754 1 9 . 1 1 33 33 THR CB C 33 64.100 64.100 67.896 -3.796 17821
2755 1 9 . 1 1 33 33 THR H H 33 7.620 7.620 7.983 -0.363 17821
2756 1 9 . 1 1 34 34 LYS N N 34 127.100 127.100 122.774 4.326 17821
2757 1 9 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.913 -0.993 17821
2758 1 9 . 1 1 34 34 LYS C C 34 174.300 174.300 178.617 -4.317 17821
2759 1 9 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.233 -1.933 17821
2760 1 9 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.764 -1.764 17821
2761 1 9 . 1 1 34 34 LYS H H 34 7.740 7.740 7.303 0.437 17821
2762 1 9 . 1 1 35 35 LYS N N 35 118.500 118.500 118.417 0.083 17821
2763 1 9 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.093 -0.203 17821
2764 1 9 . 1 1 35 35 LYS C C 35 176.500 176.500 178.968 -2.468 17821
2765 1 9 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.049 -2.349 17821
2766 1 9 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.914 -2.414 17821
2767 1 9 . 1 1 35 35 LYS H H 35 7.880 7.880 8.075 -0.195 17821
2768 1 9 . 1 1 36 36 ALA N N 36 120.100 120.100 121.876 -1.776 17821
2769 1 9 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.314 -0.274 17821
2770 1 9 . 1 1 36 36 ALA C C 36 177.600 177.600 179.827 -2.227 17821
2771 1 9 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.748 -2.748 17821
2772 1 9 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.491 -3.091 17821
2773 1 9 . 1 1 36 36 ALA H H 36 7.490 7.490 8.343 -0.853 17821
2774 1 9 . 1 1 37 37 ARG N N 37 118.500 118.500 120.042 -1.542 17821
2775 1 9 . 1 1 37 37 ARG HA H 37 3.620 3.620 4.096 -0.476 17821
2776 1 9 . 1 1 37 37 ARG C C 37 174.100 174.100 177.997 -3.897 17821
2777 1 9 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.142 -2.542 17821
2778 1 9 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.855 -2.755 17821
2779 1 9 . 1 1 37 37 ARG H H 37 7.630 7.630 8.523 -0.893 17821
2780 1 9 . 1 1 38 38 ASP N N 38 120.200 120.200 119.556 0.644 17821
2781 1 9 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.329 -0.059 17821
2782 1 9 . 1 1 38 38 ASP C C 38 175.500 175.500 178.681 -3.181 17821
2783 1 9 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.418 -2.718 17821
2784 1 9 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.178 -3.978 17821
2785 1 9 . 1 1 38 38 ASP H H 38 8.680 8.680 8.314 0.366 17821
2786 1 9 . 1 1 39 39 ALA N N 39 121.100 121.100 121.954 -0.854 17821
2787 1 9 . 1 1 39 39 ALA HA H 39 4.010 4.010 3.977 0.033 17821
2788 1 9 . 1 1 39 39 ALA C C 39 176.800 176.800 178.992 -2.192 17821
2789 1 9 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.691 -3.591 17821
2790 1 9 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.379 -3.179 17821
2791 1 9 . 1 1 39 39 ALA H H 39 8.040 8.040 8.106 -0.066 17821
2792 1 9 . 1 1 40 40 CYS N N 40 117.600 117.600 117.843 -0.243 17821
2793 1 9 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.237 -0.057 17821
2794 1 9 . 1 1 40 40 CYS C C 40 173.800 173.800 176.980 -3.180 17821
2795 1 9 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.844 -4.944 17821
2796 1 9 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.081 10.319 17821
2797 1 9 . 1 1 40 40 CYS H H 40 7.340 7.340 8.161 -0.821 17821
2798 1 9 . 1 1 41 41 ILE N N 41 121.500 121.500 121.142 0.358 17821
2799 1 9 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.798 -0.748 17821
2800 1 9 . 1 1 41 41 ILE C C 41 176.100 176.100 178.464 -2.364 17821
2801 1 9 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.493 -1.093 17821
2802 1 9 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.728 -2.429 17821
2803 1 9 . 1 1 41 41 ILE H H 41 8.230 8.230 8.535 -0.305 17821
2804 1 9 . 1 1 42 42 ILE N N 42 119.200 119.200 120.039 -0.839 17821
2805 1 9 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.757 -0.067 17821
2806 1 9 . 1 1 42 42 ILE C C 42 174.200 174.200 177.802 -3.602 17821
2807 1 9 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.874 -3.574 17821
2808 1 9 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.981 -2.181 17821
2809 1 9 . 1 1 42 42 ILE H H 42 7.770 7.770 8.421 -0.651 17821
2810 1 9 . 1 1 43 43 GLU N N 43 118.700 118.700 118.873 -0.173 17821
2811 1 9 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.264 -0.214 17821
2812 1 9 . 1 1 43 43 GLU C C 43 175.300 175.300 177.682 -2.382 17821
2813 1 9 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.536 -2.236 17821
2814 1 9 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.358 -2.159 17821
2815 1 9 . 1 1 43 43 GLU H H 43 7.600 7.600 8.245 -0.645 17821
2816 1 9 . 1 1 44 44 LYS N N 44 114.600 114.600 115.899 -1.299 17821
2817 1 9 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.488 -0.038 17821
2818 1 9 . 1 1 44 44 LYS C C 44 174.500 174.500 176.123 -1.623 17821
2819 1 9 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.454 -2.654 17821
2820 1 9 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.299 -2.599 17821
2821 1 9 . 1 1 44 44 LYS H H 44 8.860 8.860 8.301 0.559 17821
2822 1 9 . 1 1 45 45 GLY N N 45 108.700 108.700 108.489 0.211 17821
2823 1 9 . 1 1 45 45 GLY C C 45 171.000 171.000 175.191 -4.191 17821
2824 1 9 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.529 -3.229 17821
2825 1 9 . 1 1 45 45 GLY H H 45 7.690 7.690 8.123 -0.433 17821
2826 1 9 . 1 1 46 46 GLU N N 46 120.800 120.800 122.901 -2.101 17821
2827 1 9 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.856 -0.416 17821
2828 1 9 . 1 1 46 46 GLU C C 46 175.800 175.800 178.620 -2.820 17821
2829 1 9 . 1 1 46 46 GLU CA C 46 58.300 58.300 60.064 -1.764 17821
2830 1 9 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.665 -2.565 17821
2831 1 9 . 1 1 46 46 GLU H H 46 8.900 8.900 8.952 -0.052 17821
2832 1 9 . 1 1 47 47 GLU N N 47 118.700 118.700 117.539 1.161 17821
2833 1 9 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.112 -0.172 17821
2834 1 9 . 1 1 47 47 GLU C C 47 174.300 174.300 177.559 -3.259 17821
2835 1 9 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.904 -2.004 17821
2836 1 9 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.202 -3.702 17821
2837 1 9 . 1 1 47 47 GLU H H 47 9.530 9.530 8.794 0.736 17821
2838 1 9 . 1 1 48 48 HIS N N 48 117.500 117.500 115.037 2.463 17821
2839 1 9 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.858 0.012 17821
2840 1 9 . 1 1 48 48 HIS C C 48 173.300 173.300 175.152 -1.852 17821
2841 1 9 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.468 -3.368 17821
2842 1 9 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.745 -1.845 17821
2843 1 9 . 1 1 48 48 HIS H H 48 7.500 7.500 7.894 -0.394 17821
2844 1 9 . 1 1 49 49 CYS N N 49 116.100 116.100 118.561 -2.461 17821
2845 1 9 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.956 0.094 17821
2846 1 9 . 1 1 49 49 CYS C C 49 173.700 173.700 176.100 -2.400 17821
2847 1 9 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.129 -6.429 17821
2848 1 9 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.139 12.361 17821
2849 1 9 . 1 1 49 49 CYS H H 49 7.460 7.460 7.742 -0.282 17821
2850 1 9 . 1 1 50 50 GLY N N 50 112.900 112.900 110.414 2.486 17821
2851 1 9 . 1 1 50 50 GLY C C 50 172.500 172.500 175.408 -2.908 17821
2852 1 9 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.219 -1.919 17821
2853 1 9 . 1 1 50 50 GLY H H 50 9.150 9.150 8.815 0.335 17821
2854 1 9 . 1 1 51 51 HIS C C 51 175.400 175.400 177.454 -2.054 17821
2855 1 9 . 1 1 51 51 HIS CA C 51 56.400 56.400 59.166 -2.766 17821
2856 1 9 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.541 -3.542 17821
2857 1 9 . 1 1 52 52 LEU N N 52 122.000 122.000 120.592 1.408 17821
2858 1 9 . 1 1 52 52 LEU HA H 52 4.110 4.110 3.848 0.262 17821
2859 1 9 . 1 1 52 52 LEU C C 52 177.700 177.700 178.492 -0.792 17821
2860 1 9 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.324 -3.524 17821
2861 1 9 . 1 1 52 52 LEU CB C 52 39.500 39.500 40.749 -1.249 17821
2862 1 9 . 1 1 52 52 LEU H H 52 6.810 6.810 8.097 -1.287 17821
2863 1 9 . 1 1 53 53 ILE N N 53 124.200 124.200 118.819 5.381 17821
2864 1 9 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.576 -0.146 17821
2865 1 9 . 1 1 53 53 ILE C C 53 176.100 176.100 178.401 -2.301 17821
2866 1 9 . 1 1 53 53 ILE CA C 53 63.200 63.200 64.933 -1.733 17821
2867 1 9 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.542 -1.642 17821
2868 1 9 . 1 1 53 53 ILE H H 53 8.170 8.170 7.460 0.710 17821
2869 1 9 . 1 1 54 54 GLU N N 54 120.600 120.600 120.337 0.263 17821
2870 1 9 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.833 0.197 17821
2871 1 9 . 1 1 54 54 GLU C C 54 175.400 175.400 178.648 -3.248 17821
2872 1 9 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.900 -3.800 17821
2873 1 9 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.507 -3.507 17821
2874 1 9 . 1 1 54 54 GLU H H 54 8.380 8.380 8.199 0.181 17821
2875 1 9 . 1 1 55 55 ALA N N 55 120.800 120.800 121.530 -0.730 17821
2876 1 9 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.009 0.111 17821
2877 1 9 . 1 1 55 55 ALA C C 55 177.900 177.900 179.857 -1.957 17821
2878 1 9 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.109 -2.909 17821
2879 1 9 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.505 -3.405 17821
2880 1 9 . 1 1 55 55 ALA H H 55 7.880 7.880 7.789 0.091 17821
2881 1 9 . 1 1 56 56 HIS N N 56 117.400 117.400 117.281 0.119 17821
2882 1 9 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.332 -0.032 17821
2883 1 9 . 1 1 56 56 HIS C C 56 173.500 173.500 178.025 -4.525 17821
2884 1 9 . 1 1 56 56 HIS CA C 56 57.000 57.000 58.573 -1.573 17821
2885 1 9 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.088 -1.788 17821
2886 1 9 . 1 1 56 56 HIS H H 56 7.640 7.640 8.015 -0.375 17821
2887 1 9 . 1 1 57 57 LYS N N 57 119.200 119.200 120.672 -1.472 17821
2888 1 9 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.031 -0.431 17821
2889 1 9 . 1 1 57 57 LYS C C 57 176.200 176.200 178.810 -2.610 17821
2890 1 9 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.798 -2.198 17821
2891 1 9 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.139 -2.639 17821
2892 1 9 . 1 1 57 57 LYS H H 57 7.620 7.620 8.624 -1.004 17821
2893 1 9 . 1 1 58 58 GLU N N 58 118.400 118.400 119.788 -1.388 17821
2894 1 9 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.136 -0.166 17821
2895 1 9 . 1 1 58 58 GLU C C 58 176.200 176.200 178.869 -2.669 17821
2896 1 9 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.808 -2.608 17821
2897 1 9 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.326 -3.026 17821
2898 1 9 . 1 1 58 58 GLU H H 58 8.490 8.490 8.275 0.215 17821
2899 1 9 . 1 1 59 59 SER N N 59 116.100 116.100 116.440 -0.340 17821
2900 1 9 . 1 1 59 59 SER HA H 59 4.150 4.150 4.190 -0.040 17821
2901 1 9 . 1 1 59 59 SER CA C 59 58.400 58.400 61.500 -3.100 17821
2902 1 9 . 1 1 59 59 SER CB C 59 60.300 60.300 63.227 -2.927 17821
2903 1 9 . 1 1 59 59 SER H H 59 7.790 7.790 8.315 -0.525 17821
2904 1 9 . 1 1 60 60 MET N N 60 117.500 117.500 119.251 -1.751 17821
2905 1 9 . 1 1 60 60 MET HA H 60 4.170 4.170 4.159 0.011 17821
2906 1 9 . 1 1 60 60 MET C C 60 176.400 176.400 178.008 -1.608 17821
2907 1 9 . 1 1 60 60 MET CA C 60 54.400 54.400 56.185 -1.785 17821
2908 1 9 . 1 1 60 60 MET CB C 60 29.100 29.100 31.257 -2.157 17821
2909 1 9 . 1 1 60 60 MET H H 60 7.880 7.880 7.998 -0.118 17821
2910 1 9 . 1 1 61 61 ARG N N 61 121.300 121.300 120.512 0.788 17821
2911 1 9 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.053 0.117 17821
2912 1 9 . 1 1 61 61 ARG C C 61 177.500 177.500 178.771 -1.271 17821
2913 1 9 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.033 -2.933 17821
2914 1 9 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.039 -2.539 17821
2915 1 9 . 1 1 61 61 ARG H H 61 8.290 8.290 8.432 -0.142 17821
2916 1 9 . 1 1 62 62 ALA N N 62 123.200 123.200 122.947 0.253 17821
2917 1 9 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.135 -0.065 17821
2918 1 9 . 1 1 62 62 ALA C C 62 176.400 176.400 178.475 -2.075 17821
2919 1 9 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.237 -2.737 17821
2920 1 9 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.342 -3.242 17821
2921 1 9 . 1 1 62 62 ALA H H 62 7.950 7.950 7.857 0.093 17821
2922 1 9 . 1 1 63 63 LEU N N 63 117.500 117.500 117.460 0.040 17821
2923 1 9 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.252 -0.052 17821
2924 1 9 . 1 1 63 63 LEU C C 63 174.400 174.400 177.134 -2.734 17821
2925 1 9 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.977 -1.077 17821
2926 1 9 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.337 -0.537 17821
2927 1 9 . 1 1 63 63 LEU H H 63 7.450 7.450 7.159 0.291 17821
2928 1 9 . 1 1 64 64 GLY N N 64 106.300 106.300 108.118 -1.818 17821
2929 1 9 . 1 1 64 64 GLY C C 64 171.400 171.400 174.978 -3.578 17821
2930 1 9 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.023 -3.924 17821
2931 1 9 . 1 1 64 64 GLY H H 64 7.780 7.780 7.753 0.027 17821
2932 1 9 . 1 1 65 65 PHE N N 65 119.800 119.800 115.741 4.059 17821
2933 1 9 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.929 -0.459 17821
2934 1 9 . 1 1 65 65 PHE C C 65 172.300 172.300 174.984 -2.684 17821
2935 1 9 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.935 -1.035 17821
2936 1 9 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.786 -1.887 17821
2937 1 9 . 1 1 65 65 PHE H H 65 7.840 7.840 7.523 0.317 17821
2938 1 9 . 1 1 66 66 LYS N N 66 124.000 124.000 120.395 3.605 17821
2939 1 9 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.457 -0.197 17821
2940 1 9 . 1 1 66 66 LYS C C 66 172.200 172.200 175.612 -3.412 17821
2941 1 9 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.124 -3.924 17821
2942 1 9 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.699 -4.399 17821
2943 1 9 . 1 1 66 66 LYS H H 66 8.370 8.370 8.324 0.046 17821
2944 1 10 . 1 1 4 4 THR N N 4 117.400 117.400 116.843 0.557 17821
2945 1 10 . 1 1 4 4 THR HA H 4 4.130 4.130 4.584 -0.454 17821
2946 1 10 . 1 1 4 4 THR C C 4 170.800 170.800 174.273 -3.473 17821
2947 1 10 . 1 1 4 4 THR CA C 4 58.800 58.800 61.035 -2.235 17821
2948 1 10 . 1 1 4 4 THR CB C 4 67.000 67.000 69.840 -2.840 17821
2949 1 10 . 1 1 4 4 THR H H 4 7.980 7.980 8.197 -0.217 17821
2950 1 10 . 1 1 5 5 MET N N 5 124.400 124.400 123.772 0.628 17821
2951 1 10 . 1 1 5 5 MET C C 5 171.200 171.200 174.253 -3.053 17821
2952 1 10 . 1 1 5 5 MET CA C 5 50.400 50.400 53.942 -3.542 17821
2953 1 10 . 1 1 5 5 MET CB C 5 29.600 29.600 31.160 -1.560 17821
2954 1 10 . 1 1 5 5 MET H H 5 8.250 8.250 8.381 -0.131 17821
2955 1 10 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.534 -0.254 17821
2956 1 10 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.678 -2.178 17821
2957 1 10 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.755 -3.555 17821
2958 1 10 . 1 1 7 7 GLY N N 7 109.000 109.000 110.416 -1.416 17821
2959 1 10 . 1 1 7 7 GLY C C 7 171.200 171.200 174.326 -3.126 17821
2960 1 10 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.872 -2.472 17821
2961 1 10 . 1 1 7 7 GLY H H 7 8.360 8.360 8.595 -0.235 17821
2962 1 10 . 1 1 8 8 LEU N N 8 121.700 121.700 122.044 -0.344 17821
2963 1 10 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.361 -0.101 17821
2964 1 10 . 1 1 8 8 LEU C C 8 174.600 174.600 176.413 -1.813 17821
2965 1 10 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.279 -1.979 17821
2966 1 10 . 1 1 8 8 LEU CB C 8 39.400 39.400 38.995 0.405 17821
2967 1 10 . 1 1 8 8 LEU H H 8 7.920 7.920 8.202 -0.282 17821
2968 1 10 . 1 1 9 9 VAL N N 9 120.900 120.900 119.154 1.746 17821
2969 1 10 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.435 -0.455 17821
2970 1 10 . 1 1 9 9 VAL C C 9 172.900 172.900 175.393 -2.493 17821
2971 1 10 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.171 -1.771 17821
2972 1 10 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.258 -3.258 17821
2973 1 10 . 1 1 9 9 VAL H H 9 8.050 8.050 7.782 0.268 17821
2974 1 10 . 1 1 10 10 ASP N N 10 124.300 124.300 128.416 -4.116 17821
2975 1 10 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.922 -0.452 17821
2976 1 10 . 1 1 10 10 ASP C C 10 173.100 173.100 175.890 -2.790 17821
2977 1 10 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.675 -3.175 17821
2978 1 10 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.899 -2.599 17821
2979 1 10 . 1 1 10 10 ASP H H 10 8.300 8.300 8.702 -0.402 17821
2980 1 10 . 1 1 11 11 SER N N 11 116.400 116.400 116.797 -0.397 17821
2981 1 10 . 1 1 11 11 SER HA H 11 4.290 4.290 4.479 -0.189 17821
2982 1 10 . 1 1 11 11 SER C C 11 171.200 171.200 174.793 -3.593 17821
2983 1 10 . 1 1 11 11 SER CA C 11 55.500 55.500 57.812 -2.312 17821
2984 1 10 . 1 1 11 11 SER CB C 11 60.900 60.900 63.929 -3.029 17821
2985 1 10 . 1 1 11 11 SER H H 11 8.130 8.130 8.432 -0.302 17821
2986 1 10 . 1 1 12 12 ASN N N 12 121.600 121.600 123.592 -1.992 17821
2987 1 10 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.852 -0.622 17821
2988 1 10 . 1 1 12 12 ASN C C 12 170.000 170.000 173.983 -3.983 17821
2989 1 10 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.983 4.517 17821
2990 1 10 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.804 -2.804 17821
2991 1 10 . 1 1 12 12 ASN H H 12 8.360 8.360 8.144 0.216 17821
2992 1 10 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.378 -0.088 17821
2993 1 10 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.571 -2.271 17821
2994 1 10 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.275 -3.075 17821
2995 1 10 . 1 1 14 14 ALA N N 14 125.700 125.700 124.322 1.378 17821
2996 1 10 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.287 0.123 17821
2997 1 10 . 1 1 14 14 ALA C C 14 172.200 172.200 176.735 -4.535 17821
2998 1 10 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.055 -3.555 17821
2999 1 10 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.775 -3.675 17821
3000 1 10 . 1 1 14 14 ALA H H 14 8.260 8.260 8.277 -0.017 17821
3001 1 10 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.522 -0.242 17821
3002 1 10 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.697 -2.197 17821
3003 1 10 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.438 -3.238 17821
3004 1 10 . 1 1 17 17 GLU N N 17 120.600 120.600 122.109 -1.509 17821
3005 1 10 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.197 -0.077 17821
3006 1 10 . 1 1 17 17 GLU C C 17 173.900 173.900 176.238 -2.338 17821
3007 1 10 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.867 -2.767 17821
3008 1 10 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.225 -3.125 17821
3009 1 10 . 1 1 17 17 GLU H H 17 8.550 8.550 8.572 -0.022 17821
3010 1 10 . 1 1 18 18 SER N N 18 116.400 116.400 119.606 -3.206 17821
3011 1 10 . 1 1 18 18 SER HA H 18 4.310 4.310 4.598 -0.288 17821
3012 1 10 . 1 1 18 18 SER C C 18 171.900 171.900 173.686 -1.786 17821
3013 1 10 . 1 1 18 18 SER CA C 18 55.600 55.600 57.268 -1.668 17821
3014 1 10 . 1 1 18 18 SER CB C 18 60.800 60.800 64.229 -3.429 17821
3015 1 10 . 1 1 18 18 SER H H 18 8.240 8.240 8.510 -0.270 17821
3016 1 10 . 1 1 19 19 GLN N N 19 122.300 122.300 121.323 0.977 17821
3017 1 10 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.321 -0.121 17821
3018 1 10 . 1 1 19 19 GLN C C 19 173.100 173.100 176.175 -3.075 17821
3019 1 10 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.295 -3.295 17821
3020 1 10 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.332 -1.832 17821
3021 1 10 . 1 1 19 19 GLN H H 19 8.310 8.310 8.470 -0.160 17821
3022 1 10 . 1 1 20 20 GLU N N 20 121.600 121.600 123.060 -1.460 17821
3023 1 10 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.523 -0.233 17821
3024 1 10 . 1 1 20 20 GLU C C 20 173.500 173.500 175.866 -2.366 17821
3025 1 10 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.467 -1.567 17821
3026 1 10 . 1 1 20 20 GLU CB C 20 27.400 27.400 32.293 -4.893 17821
3027 1 10 . 1 1 20 20 GLU H H 20 8.240 8.240 8.458 -0.218 17821
3028 1 10 . 1 1 21 21 LYS N N 21 122.900 122.900 122.060 0.840 17821
3029 1 10 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.379 -0.199 17821
3030 1 10 . 1 1 21 21 LYS C C 21 173.400 173.400 175.795 -2.395 17821
3031 1 10 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.664 -3.364 17821
3032 1 10 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.015 -3.215 17821
3033 1 10 . 1 1 21 21 LYS H H 21 8.260 8.260 8.167 0.093 17821
3034 1 10 . 1 1 22 22 LYS N N 22 124.000 124.000 122.128 1.872 17821
3035 1 10 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.717 -0.267 17821
3036 1 10 . 1 1 22 22 LYS C C 22 171.500 171.500 174.670 -3.170 17821
3037 1 10 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.173 -2.974 17821
3038 1 10 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.182 -2.682 17821
3039 1 10 . 1 1 22 22 LYS H H 22 8.220 8.220 8.146 0.074 17821
3040 1 10 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.316 -0.026 17821
3041 1 10 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.155 -3.055 17821
3042 1 10 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.160 -2.961 17821
3043 1 10 . 1 1 24 24 LEU N N 24 122.700 122.700 122.827 -0.127 17821
3044 1 10 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.465 -0.305 17821
3045 1 10 . 1 1 24 24 LEU C C 24 174.400 174.400 177.451 -3.051 17821
3046 1 10 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.644 -2.244 17821
3047 1 10 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.639 -3.039 17821
3048 1 10 . 1 1 24 24 LEU H H 24 8.270 8.270 8.232 0.038 17821
3049 1 10 . 1 1 25 25 LYS N N 25 123.400 123.400 124.471 -1.071 17821
3050 1 10 . 1 1 25 25 LYS C C 25 171.600 171.600 174.988 -3.388 17821
3051 1 10 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.725 -3.825 17821
3052 1 10 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.417 -2.617 17821
3053 1 10 . 1 1 25 25 LYS H H 25 8.180 8.180 8.363 -0.183 17821
3054 1 10 . 1 1 28 28 CYS CA C 28 46.000 46.000 60.086 -14.086 17821
3055 1 10 . 1 1 28 28 CYS CB C 28 31.000 31.000 27.410 3.591 17821
3056 1 10 . 1 1 29 29 ALA N N 29 123.800 123.800 122.695 1.105 17821
3057 1 10 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.530 -0.380 17821
3058 1 10 . 1 1 29 29 ALA C C 29 173.200 173.200 175.377 -2.177 17821
3059 1 10 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.417 -1.717 17821
3060 1 10 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.548 -2.948 17821
3061 1 10 . 1 1 29 29 ALA H H 29 8.050 8.050 7.727 0.323 17821
3062 1 10 . 1 1 30 30 SER N N 30 112.800 112.800 113.628 -0.828 17821
3063 1 10 . 1 1 30 30 SER HA H 30 4.580 4.580 4.926 -0.346 17821
3064 1 10 . 1 1 30 30 SER C C 30 173.300 173.300 174.310 -1.010 17821
3065 1 10 . 1 1 30 30 SER CA C 30 52.600 52.600 54.634 -2.034 17821
3066 1 10 . 1 1 30 30 SER CB C 30 59.400 59.400 62.992 -3.592 17821
3067 1 10 . 1 1 30 30 SER H H 30 8.270 8.270 8.593 -0.323 17821
3068 1 10 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.213 -0.053 17821
3069 1 10 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.193 -3.393 17821
3070 1 10 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.012 -2.712 17821
3071 1 10 . 1 1 32 32 GLU N N 32 119.100 119.100 117.930 1.170 17821
3072 1 10 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.121 -0.061 17821
3073 1 10 . 1 1 32 32 GLU C C 32 177.300 177.300 178.713 -1.413 17821
3074 1 10 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.587 -2.687 17821
3075 1 10 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.558 -2.558 17821
3076 1 10 . 1 1 32 32 GLU H H 32 8.720 8.720 8.861 -0.141 17821
3077 1 10 . 1 1 33 33 THR N N 33 110.800 110.800 112.409 -1.609 17821
3078 1 10 . 1 1 33 33 THR HA H 33 4.040 4.040 4.102 -0.062 17821
3079 1 10 . 1 1 33 33 THR C C 33 176.000 176.000 176.472 -0.472 17821
3080 1 10 . 1 1 33 33 THR CA C 33 61.700 61.700 65.716 -4.016 17821
3081 1 10 . 1 1 33 33 THR CB C 33 64.100 64.100 68.862 -4.762 17821
3082 1 10 . 1 1 33 33 THR H H 33 7.620 7.620 7.888 -0.268 17821
3083 1 10 . 1 1 34 34 LYS N N 34 127.100 127.100 123.062 4.038 17821
3084 1 10 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.090 -1.170 17821
3085 1 10 . 1 1 34 34 LYS C C 34 174.300 174.300 178.746 -4.446 17821
3086 1 10 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.789 -2.489 17821
3087 1 10 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.575 -2.575 17821
3088 1 10 . 1 1 34 34 LYS H H 34 7.740 7.740 7.821 -0.081 17821
3089 1 10 . 1 1 35 35 LYS N N 35 118.500 118.500 119.315 -0.815 17821
3090 1 10 . 1 1 35 35 LYS HA H 35 3.890 3.890 3.984 -0.094 17821
3091 1 10 . 1 1 35 35 LYS C C 35 176.500 176.500 179.027 -2.527 17821
3092 1 10 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.290 -2.590 17821
3093 1 10 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.096 -2.596 17821
3094 1 10 . 1 1 35 35 LYS H H 35 7.880 7.880 8.171 -0.291 17821
3095 1 10 . 1 1 36 36 ALA N N 36 120.100 120.100 121.473 -1.373 17821
3096 1 10 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.127 -0.087 17821
3097 1 10 . 1 1 36 36 ALA C C 36 177.600 177.600 179.654 -2.054 17821
3098 1 10 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.024 -3.024 17821
3099 1 10 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.305 -2.905 17821
3100 1 10 . 1 1 36 36 ALA H H 36 7.490 7.490 8.263 -0.773 17821
3101 1 10 . 1 1 37 37 ARG N N 37 118.500 118.500 119.355 -0.855 17821
3102 1 10 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.919 -0.299 17821
3103 1 10 . 1 1 37 37 ARG C C 37 174.100 174.100 177.818 -3.718 17821
3104 1 10 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.936 -3.336 17821
3105 1 10 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.139 -3.039 17821
3106 1 10 . 1 1 37 37 ARG H H 37 7.630 7.630 8.388 -0.758 17821
3107 1 10 . 1 1 38 38 ASP N N 38 120.200 120.200 118.876 1.324 17821
3108 1 10 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.402 -0.132 17821
3109 1 10 . 1 1 38 38 ASP C C 38 175.500 175.500 178.423 -2.923 17821
3110 1 10 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.285 -2.585 17821
3111 1 10 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.744 -4.544 17821
3112 1 10 . 1 1 38 38 ASP H H 38 8.680 8.680 8.071 0.609 17821
3113 1 10 . 1 1 39 39 ALA N N 39 121.100 121.100 121.887 -0.787 17821
3114 1 10 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.085 -0.075 17821
3115 1 10 . 1 1 39 39 ALA C C 39 176.800 176.800 179.194 -2.394 17821
3116 1 10 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.276 -3.176 17821
3117 1 10 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.164 -2.964 17821
3118 1 10 . 1 1 39 39 ALA H H 39 8.040 8.040 8.462 -0.422 17821
3119 1 10 . 1 1 40 40 CYS N N 40 117.600 117.600 118.683 -1.083 17821
3120 1 10 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.144 0.036 17821
3121 1 10 . 1 1 40 40 CYS C C 40 173.800 173.800 176.925 -3.125 17821
3122 1 10 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.793 -4.893 17821
3123 1 10 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.810 10.590 17821
3124 1 10 . 1 1 40 40 CYS H H 40 7.340 7.340 8.166 -0.826 17821
3125 1 10 . 1 1 41 41 ILE N N 41 121.500 121.500 120.916 0.584 17821
3126 1 10 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.764 -0.714 17821
3127 1 10 . 1 1 41 41 ILE C C 41 176.100 176.100 178.239 -2.139 17821
3128 1 10 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.997 -1.597 17821
3129 1 10 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.705 -2.405 17821
3130 1 10 . 1 1 41 41 ILE H H 41 8.230 8.230 8.542 -0.312 17821
3131 1 10 . 1 1 42 42 ILE N N 42 119.200 119.200 119.479 -0.279 17821
3132 1 10 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.792 -0.102 17821
3133 1 10 . 1 1 42 42 ILE C C 42 174.200 174.200 178.049 -3.849 17821
3134 1 10 . 1 1 42 42 ILE CA C 42 61.300 61.300 63.583 -2.283 17821
3135 1 10 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.207 -1.407 17821
3136 1 10 . 1 1 42 42 ILE H H 42 7.770 7.770 7.865 -0.095 17821
3137 1 10 . 1 1 43 43 GLU N N 43 118.700 118.700 117.798 0.902 17821
3138 1 10 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.187 -0.137 17821
3139 1 10 . 1 1 43 43 GLU C C 43 175.300 175.300 178.006 -2.706 17821
3140 1 10 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.355 -2.055 17821
3141 1 10 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.776 -2.576 17821
3142 1 10 . 1 1 43 43 GLU H H 43 7.600 7.600 8.297 -0.697 17821
3143 1 10 . 1 1 44 44 LYS N N 44 114.600 114.600 114.878 -0.278 17821
3144 1 10 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.632 -0.182 17821
3145 1 10 . 1 1 44 44 LYS C C 44 174.500 174.500 175.844 -1.344 17821
3146 1 10 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.190 -2.390 17821
3147 1 10 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.226 -2.526 17821
3148 1 10 . 1 1 44 44 LYS H H 44 8.860 8.860 8.503 0.357 17821
3149 1 10 . 1 1 45 45 GLY N N 45 108.700 108.700 109.310 -0.610 17821
3150 1 10 . 1 1 45 45 GLY C C 45 171.000 171.000 174.902 -3.902 17821
3151 1 10 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.702 -3.402 17821
3152 1 10 . 1 1 45 45 GLY H H 45 7.690 7.690 8.005 -0.315 17821
3153 1 10 . 1 1 46 46 GLU N N 46 120.800 120.800 122.210 -1.410 17821
3154 1 10 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.789 -0.349 17821
3155 1 10 . 1 1 46 46 GLU C C 46 175.800 175.800 178.350 -2.550 17821
3156 1 10 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.904 -1.604 17821
3157 1 10 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.565 -2.465 17821
3158 1 10 . 1 1 46 46 GLU H H 46 8.900 8.900 8.923 -0.023 17821
3159 1 10 . 1 1 47 47 GLU N N 47 118.700 118.700 117.753 0.947 17821
3160 1 10 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.038 -0.098 17821
3161 1 10 . 1 1 47 47 GLU C C 47 174.300 174.300 177.261 -2.961 17821
3162 1 10 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.763 -1.863 17821
3163 1 10 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.548 -3.048 17821
3164 1 10 . 1 1 47 47 GLU H H 47 9.530 9.530 8.753 0.777 17821
3165 1 10 . 1 1 48 48 HIS N N 48 117.500 117.500 116.033 1.467 17821
3166 1 10 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.846 0.024 17821
3167 1 10 . 1 1 48 48 HIS C C 48 173.300 173.300 174.731 -1.431 17821
3168 1 10 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.032 -2.932 17821
3169 1 10 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.655 -1.755 17821
3170 1 10 . 1 1 48 48 HIS H H 48 7.500 7.500 7.663 -0.163 17821
3171 1 10 . 1 1 49 49 CYS N N 49 116.100 116.100 118.708 -2.608 17821
3172 1 10 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.855 0.195 17821
3173 1 10 . 1 1 49 49 CYS C C 49 173.700 173.700 175.783 -2.083 17821
3174 1 10 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.774 -6.074 17821
3175 1 10 . 1 1 49 49 CYS CB C 49 39.500 39.500 28.112 11.388 17821
3176 1 10 . 1 1 49 49 CYS H H 49 7.460 7.460 7.599 -0.139 17821
3177 1 10 . 1 1 50 50 GLY N N 50 112.900 112.900 110.783 2.117 17821
3178 1 10 . 1 1 50 50 GLY C C 50 172.500 172.500 175.528 -3.028 17821
3179 1 10 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.612 -2.312 17821
3180 1 10 . 1 1 50 50 GLY H H 50 9.150 9.150 8.560 0.590 17821
3181 1 10 . 1 1 51 51 HIS C C 51 175.400 175.400 177.121 -1.721 17821
3182 1 10 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.776 -2.376 17821
3183 1 10 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.863 -3.863 17821
3184 1 10 . 1 1 52 52 LEU N N 52 122.000 122.000 120.787 1.213 17821
3185 1 10 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.131 -0.021 17821
3186 1 10 . 1 1 52 52 LEU C C 52 177.700 177.700 178.797 -1.097 17821
3187 1 10 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.339 -3.538 17821
3188 1 10 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.296 -1.796 17821
3189 1 10 . 1 1 52 52 LEU H H 52 6.810 6.810 7.757 -0.947 17821
3190 1 10 . 1 1 53 53 ILE N N 53 124.200 124.200 120.692 3.508 17821
3191 1 10 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.556 -0.126 17821
3192 1 10 . 1 1 53 53 ILE C C 53 176.100 176.100 178.151 -2.051 17821
3193 1 10 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.048 -2.848 17821
3194 1 10 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.794 -1.895 17821
3195 1 10 . 1 1 53 53 ILE H H 53 8.170 8.170 8.343 -0.173 17821
3196 1 10 . 1 1 54 54 GLU N N 54 120.600 120.600 120.281 0.319 17821
3197 1 10 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.906 0.124 17821
3198 1 10 . 1 1 54 54 GLU C C 54 175.400 175.400 178.577 -3.177 17821
3199 1 10 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.948 -3.848 17821
3200 1 10 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.631 -3.631 17821
3201 1 10 . 1 1 54 54 GLU H H 54 8.380 8.380 8.512 -0.132 17821
3202 1 10 . 1 1 55 55 ALA N N 55 120.800 120.800 122.175 -1.375 17821
3203 1 10 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.910 0.210 17821
3204 1 10 . 1 1 55 55 ALA C C 55 177.900 177.900 179.285 -1.385 17821
3205 1 10 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.123 -2.923 17821
3206 1 10 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.001 -2.901 17821
3207 1 10 . 1 1 55 55 ALA H H 55 7.880 7.880 7.803 0.077 17821
3208 1 10 . 1 1 56 56 HIS N N 56 117.400 117.400 119.011 -1.611 17821
3209 1 10 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.282 0.018 17821
3210 1 10 . 1 1 56 56 HIS C C 56 173.500 173.500 177.577 -4.077 17821
3211 1 10 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.891 -2.891 17821
3212 1 10 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.374 -2.074 17821
3213 1 10 . 1 1 56 56 HIS H H 56 7.640 7.640 8.502 -0.862 17821
3214 1 10 . 1 1 57 57 LYS N N 57 119.200 119.200 118.872 0.328 17821
3215 1 10 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.075 -0.475 17821
3216 1 10 . 1 1 57 57 LYS C C 57 176.200 176.200 178.922 -2.722 17821
3217 1 10 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.565 -1.965 17821
3218 1 10 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.254 -2.754 17821
3219 1 10 . 1 1 57 57 LYS H H 57 7.620 7.620 8.250 -0.630 17821
3220 1 10 . 1 1 58 58 GLU N N 58 118.400 118.400 120.829 -2.429 17821
3221 1 10 . 1 1 58 58 GLU HA H 58 3.970 3.970 3.971 -0.001 17821
3222 1 10 . 1 1 58 58 GLU C C 58 176.200 176.200 178.939 -2.739 17821
3223 1 10 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.160 -2.960 17821
3224 1 10 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.324 -3.024 17821
3225 1 10 . 1 1 58 58 GLU H H 58 8.490 8.490 8.529 -0.039 17821
3226 1 10 . 1 1 59 59 SER N N 59 116.100 116.100 115.299 0.801 17821
3227 1 10 . 1 1 59 59 SER HA H 59 4.150 4.150 4.128 0.022 17821
3228 1 10 . 1 1 59 59 SER CA C 59 58.400 58.400 61.169 -2.769 17821
3229 1 10 . 1 1 59 59 SER CB C 59 60.300 60.300 63.123 -2.823 17821
3230 1 10 . 1 1 59 59 SER H H 59 7.790 7.790 8.153 -0.363 17821
3231 1 10 . 1 1 60 60 MET N N 60 117.500 117.500 120.057 -2.557 17821
3232 1 10 . 1 1 60 60 MET HA H 60 4.170 4.170 3.966 0.204 17821
3233 1 10 . 1 1 60 60 MET C C 60 176.400 176.400 177.458 -1.058 17821
3234 1 10 . 1 1 60 60 MET CA C 60 54.400 54.400 57.951 -3.551 17821
3235 1 10 . 1 1 60 60 MET CB C 60 29.100 29.100 32.550 -3.450 17821
3236 1 10 . 1 1 60 60 MET H H 60 7.880 7.880 7.875 0.005 17821
3237 1 10 . 1 1 61 61 ARG N N 61 121.300 121.300 120.430 0.870 17821
3238 1 10 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.902 0.268 17821
3239 1 10 . 1 1 61 61 ARG C C 61 177.500 177.500 178.166 -0.666 17821
3240 1 10 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.035 -2.935 17821
3241 1 10 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.173 -2.673 17821
3242 1 10 . 1 1 61 61 ARG H H 61 8.290 8.290 7.976 0.314 17821
3243 1 10 . 1 1 62 62 ALA N N 62 123.200 123.200 121.454 1.746 17821
3244 1 10 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.107 -0.037 17821
3245 1 10 . 1 1 62 62 ALA C C 62 176.400 176.400 178.466 -2.066 17821
3246 1 10 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.962 -2.462 17821
3247 1 10 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.518 -3.418 17821
3248 1 10 . 1 1 62 62 ALA H H 62 7.950 7.950 7.755 0.195 17821
3249 1 10 . 1 1 63 63 LEU N N 63 117.500 117.500 116.824 0.676 17821
3250 1 10 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.367 -0.167 17821
3251 1 10 . 1 1 63 63 LEU C C 63 174.400 174.400 177.391 -2.991 17821
3252 1 10 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.553 -1.653 17821
3253 1 10 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.455 -1.655 17821
3254 1 10 . 1 1 63 63 LEU H H 63 7.450 7.450 7.521 -0.071 17821
3255 1 10 . 1 1 64 64 GLY N N 64 106.300 106.300 108.219 -1.919 17821
3256 1 10 . 1 1 64 64 GLY C C 64 171.400 171.400 175.080 -3.680 17821
3257 1 10 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.669 -3.569 17821
3258 1 10 . 1 1 64 64 GLY H H 64 7.780 7.780 7.408 0.372 17821
3259 1 10 . 1 1 65 65 PHE N N 65 119.800 119.800 115.879 3.921 17821
3260 1 10 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.940 -0.470 17821
3261 1 10 . 1 1 65 65 PHE C C 65 172.300 172.300 175.048 -2.748 17821
3262 1 10 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.275 -1.375 17821
3263 1 10 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.899 -1.999 17821
3264 1 10 . 1 1 65 65 PHE H H 65 7.840 7.840 7.234 0.606 17821
3265 1 10 . 1 1 66 66 LYS N N 66 124.000 124.000 120.896 3.104 17821
3266 1 10 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.675 -0.415 17821
3267 1 10 . 1 1 66 66 LYS C C 66 172.200 172.200 175.727 -3.527 17821
3268 1 10 . 1 1 66 66 LYS CA C 66 53.200 53.200 55.561 -2.361 17821
3269 1 10 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.633 -4.333 17821
3270 1 10 . 1 1 66 66 LYS H H 66 8.370 8.370 7.676 0.694 17821
3271 1 11 . 1 1 4 4 THR N N 4 117.400 117.400 111.296 6.104 17821
3272 1 11 . 1 1 4 4 THR HA H 4 4.130 4.130 4.074 0.056 17821
3273 1 11 . 1 1 4 4 THR C C 4 170.800 170.800 175.368 -4.568 17821
3274 1 11 . 1 1 4 4 THR CA C 4 58.800 58.800 62.948 -4.148 17821
3275 1 11 . 1 1 4 4 THR CB C 4 67.000 67.000 68.965 -1.965 17821
3276 1 11 . 1 1 4 4 THR H H 4 7.980 7.980 7.809 0.171 17821
3277 1 11 . 1 1 5 5 MET N N 5 124.400 124.400 123.474 0.926 17821
3278 1 11 . 1 1 5 5 MET C C 5 171.200 171.200 174.403 -3.203 17821
3279 1 11 . 1 1 5 5 MET CA C 5 50.400 50.400 53.301 -2.901 17821
3280 1 11 . 1 1 5 5 MET CB C 5 29.600 29.600 32.812 -3.212 17821
3281 1 11 . 1 1 5 5 MET H H 5 8.250 8.250 7.373 0.877 17821
3282 1 11 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.470 -0.190 17821
3283 1 11 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.112 -2.612 17821
3284 1 11 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.012 -2.812 17821
3285 1 11 . 1 1 7 7 GLY N N 7 109.000 109.000 113.112 -4.112 17821
3286 1 11 . 1 1 7 7 GLY C C 7 171.200 171.200 175.270 -4.070 17821
3287 1 11 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.537 -3.137 17821
3288 1 11 . 1 1 7 7 GLY H H 7 8.360 8.360 8.447 -0.087 17821
3289 1 11 . 1 1 8 8 LEU N N 8 121.700 121.700 117.937 3.763 17821
3290 1 11 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.409 -0.149 17821
3291 1 11 . 1 1 8 8 LEU C C 8 174.600 174.600 177.592 -2.992 17821
3292 1 11 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.016 -2.716 17821
3293 1 11 . 1 1 8 8 LEU CB C 8 39.400 39.400 41.498 -2.098 17821
3294 1 11 . 1 1 8 8 LEU H H 8 7.920 7.920 7.747 0.173 17821
3295 1 11 . 1 1 9 9 VAL N N 9 120.900 120.900 118.620 2.280 17821
3296 1 11 . 1 1 9 9 VAL HA H 9 3.980 3.980 3.905 0.075 17821
3297 1 11 . 1 1 9 9 VAL C C 9 172.900 172.900 175.843 -2.943 17821
3298 1 11 . 1 1 9 9 VAL CA C 9 59.400 59.400 62.115 -2.715 17821
3299 1 11 . 1 1 9 9 VAL CB C 9 30.000 30.000 30.104 -0.104 17821
3300 1 11 . 1 1 9 9 VAL H H 9 8.050 8.050 7.541 0.509 17821
3301 1 11 . 1 1 10 10 ASP N N 10 124.300 124.300 127.924 -3.624 17821
3302 1 11 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.457 0.013 17821
3303 1 11 . 1 1 10 10 ASP C C 10 173.100 173.100 176.208 -3.108 17821
3304 1 11 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.496 -2.996 17821
3305 1 11 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.263 -2.963 17821
3306 1 11 . 1 1 10 10 ASP H H 10 8.300 8.300 8.175 0.125 17821
3307 1 11 . 1 1 11 11 SER N N 11 116.400 116.400 119.851 -3.451 17821
3308 1 11 . 1 1 11 11 SER HA H 11 4.290 4.290 4.411 -0.121 17821
3309 1 11 . 1 1 11 11 SER C C 11 171.200 171.200 174.375 -3.175 17821
3310 1 11 . 1 1 11 11 SER CA C 11 55.500 55.500 58.156 -2.655 17821
3311 1 11 . 1 1 11 11 SER CB C 11 60.900 60.900 64.081 -3.181 17821
3312 1 11 . 1 1 11 11 SER H H 11 8.130 8.130 8.447 -0.317 17821
3313 1 11 . 1 1 12 12 ASN N N 12 121.600 121.600 122.107 -0.507 17821
3314 1 11 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.778 -0.548 17821
3315 1 11 . 1 1 12 12 ASN C C 12 170.000 170.000 174.057 -4.057 17821
3316 1 11 . 1 1 12 12 ASN CA C 12 56.500 56.500 52.451 4.049 17821
3317 1 11 . 1 1 12 12 ASN CB C 12 36.000 36.000 37.656 -1.655 17821
3318 1 11 . 1 1 12 12 ASN H H 12 8.360 8.360 8.435 -0.075 17821
3319 1 11 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.366 -0.076 17821
3320 1 11 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.943 -2.643 17821
3321 1 11 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.294 -3.094 17821
3322 1 11 . 1 1 14 14 ALA N N 14 125.700 125.700 123.366 2.334 17821
3323 1 11 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.233 0.177 17821
3324 1 11 . 1 1 14 14 ALA C C 14 172.200 172.200 176.563 -4.363 17821
3325 1 11 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.209 -3.709 17821
3326 1 11 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.467 -3.367 17821
3327 1 11 . 1 1 14 14 ALA H H 14 8.260 8.260 8.244 0.016 17821
3328 1 11 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.508 -0.228 17821
3329 1 11 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.587 -2.087 17821
3330 1 11 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.488 -3.288 17821
3331 1 11 . 1 1 17 17 GLU N N 17 120.600 120.600 119.754 0.846 17821
3332 1 11 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.270 -0.150 17821
3333 1 11 . 1 1 17 17 GLU C C 17 173.900 173.900 176.284 -2.384 17821
3334 1 11 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.983 -1.883 17821
3335 1 11 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.978 -2.878 17821
3336 1 11 . 1 1 17 17 GLU H H 17 8.550 8.550 8.299 0.251 17821
3337 1 11 . 1 1 18 18 SER N N 18 116.400 116.400 115.971 0.429 17821
3338 1 11 . 1 1 18 18 SER HA H 18 4.310 4.310 4.323 -0.013 17821
3339 1 11 . 1 1 18 18 SER C C 18 171.900 171.900 173.760 -1.860 17821
3340 1 11 . 1 1 18 18 SER CA C 18 55.600 55.600 59.406 -3.806 17821
3341 1 11 . 1 1 18 18 SER CB C 18 60.800 60.800 63.516 -2.716 17821
3342 1 11 . 1 1 18 18 SER H H 18 8.240 8.240 8.384 -0.144 17821
3343 1 11 . 1 1 19 19 GLN N N 19 122.300 122.300 121.100 1.200 17821
3344 1 11 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.607 -0.407 17821
3345 1 11 . 1 1 19 19 GLN C C 19 173.100 173.100 174.621 -1.521 17821
3346 1 11 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.188 -2.188 17821
3347 1 11 . 1 1 19 19 GLN CB C 19 26.500 26.500 31.006 -4.506 17821
3348 1 11 . 1 1 19 19 GLN H H 19 8.310 8.310 8.238 0.072 17821
3349 1 11 . 1 1 20 20 GLU N N 20 121.600 121.600 121.554 0.046 17821
3350 1 11 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.611 -0.321 17821
3351 1 11 . 1 1 20 20 GLU C C 20 173.500 173.500 175.941 -2.441 17821
3352 1 11 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.046 -2.146 17821
3353 1 11 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.495 -4.095 17821
3354 1 11 . 1 1 20 20 GLU H H 20 8.240 8.240 8.691 -0.451 17821
3355 1 11 . 1 1 21 21 LYS N N 21 122.900 122.900 124.530 -1.630 17821
3356 1 11 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.344 -0.164 17821
3357 1 11 . 1 1 21 21 LYS C C 21 173.400 173.400 176.543 -3.143 17821
3358 1 11 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.722 -3.422 17821
3359 1 11 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.982 -3.182 17821
3360 1 11 . 1 1 21 21 LYS H H 21 8.260 8.260 8.548 -0.288 17821
3361 1 11 . 1 1 22 22 LYS N N 22 124.000 124.000 121.986 2.014 17821
3362 1 11 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.699 -0.249 17821
3363 1 11 . 1 1 22 22 LYS C C 22 171.500 171.500 174.461 -2.961 17821
3364 1 11 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.283 -3.083 17821
3365 1 11 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.403 -2.903 17821
3366 1 11 . 1 1 22 22 LYS H H 22 8.220 8.220 8.296 -0.076 17821
3367 1 11 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.356 -0.066 17821
3368 1 11 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.671 -2.571 17821
3369 1 11 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.316 -3.116 17821
3370 1 11 . 1 1 24 24 LEU N N 24 122.700 122.700 124.554 -1.854 17821
3371 1 11 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.442 -0.282 17821
3372 1 11 . 1 1 24 24 LEU C C 24 174.400 174.400 176.858 -2.458 17821
3373 1 11 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.579 -2.179 17821
3374 1 11 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.795 -3.195 17821
3375 1 11 . 1 1 24 24 LEU H H 24 8.270 8.270 8.196 0.074 17821
3376 1 11 . 1 1 25 25 LYS N N 25 123.400 123.400 125.709 -2.309 17821
3377 1 11 . 1 1 25 25 LYS C C 25 171.600 171.600 175.014 -3.414 17821
3378 1 11 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.538 -3.639 17821
3379 1 11 . 1 1 25 25 LYS CB C 25 29.800 29.800 31.722 -1.922 17821
3380 1 11 . 1 1 25 25 LYS H H 25 8.180 8.180 8.351 -0.171 17821
3381 1 11 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.224 -13.224 17821
3382 1 11 . 1 1 28 28 CYS CB C 28 31.000 31.000 25.690 5.310 17821
3383 1 11 . 1 1 29 29 ALA N N 29 123.800 123.800 121.052 2.748 17821
3384 1 11 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.594 -0.444 17821
3385 1 11 . 1 1 29 29 ALA C C 29 173.200 173.200 175.099 -1.899 17821
3386 1 11 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.216 -1.516 17821
3387 1 11 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.188 -3.588 17821
3388 1 11 . 1 1 29 29 ALA H H 29 8.050 8.050 7.535 0.515 17821
3389 1 11 . 1 1 30 30 SER N N 30 112.800 112.800 114.774 -1.974 17821
3390 1 11 . 1 1 30 30 SER HA H 30 4.580 4.580 4.982 -0.402 17821
3391 1 11 . 1 1 30 30 SER C C 30 173.300 173.300 173.939 -0.639 17821
3392 1 11 . 1 1 30 30 SER CA C 30 52.600 52.600 55.678 -3.078 17821
3393 1 11 . 1 1 30 30 SER CB C 30 59.400 59.400 62.812 -3.412 17821
3394 1 11 . 1 1 30 30 SER H H 30 8.270 8.270 8.736 -0.466 17821
3395 1 11 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.314 -0.154 17821
3396 1 11 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.543 -2.743 17821
3397 1 11 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.080 -2.780 17821
3398 1 11 . 1 1 32 32 GLU N N 32 119.100 119.100 118.032 1.068 17821
3399 1 11 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.995 0.065 17821
3400 1 11 . 1 1 32 32 GLU C C 32 177.300 177.300 178.495 -1.195 17821
3401 1 11 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.332 -2.432 17821
3402 1 11 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.404 -2.404 17821
3403 1 11 . 1 1 32 32 GLU H H 32 8.720 8.720 8.708 0.012 17821
3404 1 11 . 1 1 33 33 THR N N 33 110.800 110.800 112.543 -1.743 17821
3405 1 11 . 1 1 33 33 THR HA H 33 4.040 4.040 4.089 -0.049 17821
3406 1 11 . 1 1 33 33 THR C C 33 176.000 176.000 176.402 -0.402 17821
3407 1 11 . 1 1 33 33 THR CA C 33 61.700 61.700 65.757 -4.057 17821
3408 1 11 . 1 1 33 33 THR CB C 33 64.100 64.100 68.785 -4.685 17821
3409 1 11 . 1 1 33 33 THR H H 33 7.620 7.620 8.185 -0.565 17821
3410 1 11 . 1 1 34 34 LYS N N 34 127.100 127.100 122.873 4.227 17821
3411 1 11 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.410 -0.490 17821
3412 1 11 . 1 1 34 34 LYS C C 34 174.300 174.300 178.507 -4.207 17821
3413 1 11 . 1 1 34 34 LYS CA C 34 57.300 57.300 58.898 -1.598 17821
3414 1 11 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.535 -1.535 17821
3415 1 11 . 1 1 34 34 LYS H H 34 7.740 7.740 7.971 -0.231 17821
3416 1 11 . 1 1 35 35 LYS N N 35 118.500 118.500 119.082 -0.582 17821
3417 1 11 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.248 -0.358 17821
3418 1 11 . 1 1 35 35 LYS C C 35 176.500 176.500 178.975 -2.475 17821
3419 1 11 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.833 -2.133 17821
3420 1 11 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.819 -2.319 17821
3421 1 11 . 1 1 35 35 LYS H H 35 7.880 7.880 8.311 -0.431 17821
3422 1 11 . 1 1 36 36 ALA N N 36 120.100 120.100 122.160 -2.060 17821
3423 1 11 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.151 -0.111 17821
3424 1 11 . 1 1 36 36 ALA C C 36 177.600 177.600 179.742 -2.142 17821
3425 1 11 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.012 -3.012 17821
3426 1 11 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.294 -2.894 17821
3427 1 11 . 1 1 36 36 ALA H H 36 7.490 7.490 8.188 -0.698 17821
3428 1 11 . 1 1 37 37 ARG N N 37 118.500 118.500 118.978 -0.478 17821
3429 1 11 . 1 1 37 37 ARG HA H 37 3.620 3.620 4.070 -0.450 17821
3430 1 11 . 1 1 37 37 ARG C C 37 174.100 174.100 178.080 -3.980 17821
3431 1 11 . 1 1 37 37 ARG CA C 37 56.600 56.600 58.816 -2.216 17821
3432 1 11 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.723 -2.623 17821
3433 1 11 . 1 1 37 37 ARG H H 37 7.630 7.630 8.085 -0.455 17821
3434 1 11 . 1 1 38 38 ASP N N 38 120.200 120.200 119.897 0.303 17821
3435 1 11 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.346 -0.076 17821
3436 1 11 . 1 1 38 38 ASP C C 38 175.500 175.500 178.379 -2.879 17821
3437 1 11 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.404 -2.704 17821
3438 1 11 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.383 -4.183 17821
3439 1 11 . 1 1 38 38 ASP H H 38 8.680 8.680 8.305 0.375 17821
3440 1 11 . 1 1 39 39 ALA N N 39 121.100 121.100 122.309 -1.209 17821
3441 1 11 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.068 -0.058 17821
3442 1 11 . 1 1 39 39 ALA C C 39 176.800 176.800 179.595 -2.795 17821
3443 1 11 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.349 -3.249 17821
3444 1 11 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.241 -3.041 17821
3445 1 11 . 1 1 39 39 ALA H H 39 8.040 8.040 8.127 -0.087 17821
3446 1 11 . 1 1 40 40 CYS N N 40 117.600 117.600 117.671 -0.071 17821
3447 1 11 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.215 -0.035 17821
3448 1 11 . 1 1 40 40 CYS C C 40 173.800 173.800 176.936 -3.136 17821
3449 1 11 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.997 -5.097 17821
3450 1 11 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.977 10.423 17821
3451 1 11 . 1 1 40 40 CYS H H 40 7.340 7.340 8.140 -0.800 17821
3452 1 11 . 1 1 41 41 ILE N N 41 121.500 121.500 120.890 0.610 17821
3453 1 11 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.857 -0.807 17821
3454 1 11 . 1 1 41 41 ILE C C 41 176.100 176.100 178.263 -2.163 17821
3455 1 11 . 1 1 41 41 ILE CA C 41 63.400 63.400 63.953 -0.553 17821
3456 1 11 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.519 -2.219 17821
3457 1 11 . 1 1 41 41 ILE H H 41 8.230 8.230 8.153 0.077 17821
3458 1 11 . 1 1 42 42 ILE N N 42 119.200 119.200 120.541 -1.341 17821
3459 1 11 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.708 -0.018 17821
3460 1 11 . 1 1 42 42 ILE C C 42 174.200 174.200 178.142 -3.942 17821
3461 1 11 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.367 -3.067 17821
3462 1 11 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.666 -0.866 17821
3463 1 11 . 1 1 42 42 ILE H H 42 7.770 7.770 8.236 -0.466 17821
3464 1 11 . 1 1 43 43 GLU N N 43 118.700 118.700 118.757 -0.057 17821
3465 1 11 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.193 -0.143 17821
3466 1 11 . 1 1 43 43 GLU C C 43 175.300 175.300 178.044 -2.744 17821
3467 1 11 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.728 -2.428 17821
3468 1 11 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.341 -2.141 17821
3469 1 11 . 1 1 43 43 GLU H H 43 7.600 7.600 8.268 -0.668 17821
3470 1 11 . 1 1 44 44 LYS N N 44 114.600 114.600 115.705 -1.105 17821
3471 1 11 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.640 -0.190 17821
3472 1 11 . 1 1 44 44 LYS C C 44 174.500 174.500 176.534 -2.034 17821
3473 1 11 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.223 -2.423 17821
3474 1 11 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.298 -2.598 17821
3475 1 11 . 1 1 44 44 LYS H H 44 8.860 8.860 8.251 0.609 17821
3476 1 11 . 1 1 45 45 GLY N N 45 108.700 108.700 108.786 -0.086 17821
3477 1 11 . 1 1 45 45 GLY C C 45 171.000 171.000 175.013 -4.013 17821
3478 1 11 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.355 -3.055 17821
3479 1 11 . 1 1 45 45 GLY H H 45 7.690 7.690 7.964 -0.274 17821
3480 1 11 . 1 1 46 46 GLU N N 46 120.800 120.800 121.747 -0.947 17821
3481 1 11 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.824 -0.384 17821
3482 1 11 . 1 1 46 46 GLU C C 46 175.800 175.800 178.028 -2.228 17821
3483 1 11 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.838 -1.538 17821
3484 1 11 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.671 -2.571 17821
3485 1 11 . 1 1 46 46 GLU H H 46 8.900 8.900 8.874 0.026 17821
3486 1 11 . 1 1 47 47 GLU N N 47 118.700 118.700 117.454 1.246 17821
3487 1 11 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.308 -0.368 17821
3488 1 11 . 1 1 47 47 GLU C C 47 174.300 174.300 176.988 -2.688 17821
3489 1 11 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.632 -1.732 17821
3490 1 11 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.470 -2.970 17821
3491 1 11 . 1 1 47 47 GLU H H 47 9.530 9.530 8.557 0.973 17821
3492 1 11 . 1 1 48 48 HIS N N 48 117.500 117.500 116.015 1.485 17821
3493 1 11 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.855 0.015 17821
3494 1 11 . 1 1 48 48 HIS C C 48 173.300 173.300 174.136 -0.836 17821
3495 1 11 . 1 1 48 48 HIS CA C 48 53.100 53.100 54.903 -1.803 17821
3496 1 11 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.553 -1.653 17821
3497 1 11 . 1 1 48 48 HIS H H 48 7.500 7.500 7.948 -0.448 17821
3498 1 11 . 1 1 49 49 CYS N N 49 116.100 116.100 119.114 -3.014 17821
3499 1 11 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.898 0.152 17821
3500 1 11 . 1 1 49 49 CYS C C 49 173.700 173.700 175.499 -1.799 17821
3501 1 11 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.153 -6.453 17821
3502 1 11 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.622 11.877 17821
3503 1 11 . 1 1 49 49 CYS H H 49 7.460 7.460 7.540 -0.080 17821
3504 1 11 . 1 1 50 50 GLY N N 50 112.900 112.900 111.142 1.758 17821
3505 1 11 . 1 1 50 50 GLY C C 50 172.500 172.500 175.905 -3.405 17821
3506 1 11 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.508 -2.208 17821
3507 1 11 . 1 1 50 50 GLY H H 50 9.150 9.150 8.747 0.403 17821
3508 1 11 . 1 1 51 51 HIS C C 51 175.400 175.400 176.942 -1.542 17821
3509 1 11 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.794 -2.394 17821
3510 1 11 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.990 -3.990 17821
3511 1 11 . 1 1 52 52 LEU N N 52 122.000 122.000 122.049 -0.049 17821
3512 1 11 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.203 -0.093 17821
3513 1 11 . 1 1 52 52 LEU C C 52 177.700 177.700 178.847 -1.147 17821
3514 1 11 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.231 -3.431 17821
3515 1 11 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.276 -1.776 17821
3516 1 11 . 1 1 52 52 LEU H H 52 6.810 6.810 7.491 -0.681 17821
3517 1 11 . 1 1 53 53 ILE N N 53 124.200 124.200 121.060 3.140 17821
3518 1 11 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.647 -0.217 17821
3519 1 11 . 1 1 53 53 ILE C C 53 176.100 176.100 178.310 -2.210 17821
3520 1 11 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.232 -3.032 17821
3521 1 11 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.960 -2.060 17821
3522 1 11 . 1 1 53 53 ILE H H 53 8.170 8.170 8.717 -0.547 17821
3523 1 11 . 1 1 54 54 GLU N N 54 120.600 120.600 119.999 0.601 17821
3524 1 11 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.896 0.134 17821
3525 1 11 . 1 1 54 54 GLU C C 54 175.400 175.400 178.756 -3.356 17821
3526 1 11 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.919 -3.818 17821
3527 1 11 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.615 -3.615 17821
3528 1 11 . 1 1 54 54 GLU H H 54 8.380 8.380 8.466 -0.086 17821
3529 1 11 . 1 1 55 55 ALA N N 55 120.800 120.800 122.160 -1.360 17821
3530 1 11 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.087 0.033 17821
3531 1 11 . 1 1 55 55 ALA C C 55 177.900 177.900 179.235 -1.335 17821
3532 1 11 . 1 1 55 55 ALA CA C 55 52.200 52.200 54.963 -2.763 17821
3533 1 11 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.274 -3.174 17821
3534 1 11 . 1 1 55 55 ALA H H 55 7.880 7.880 8.043 -0.163 17821
3535 1 11 . 1 1 56 56 HIS N N 56 117.400 117.400 119.201 -1.801 17821
3536 1 11 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.262 0.038 17821
3537 1 11 . 1 1 56 56 HIS C C 56 173.500 173.500 177.347 -3.847 17821
3538 1 11 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.552 -2.552 17821
3539 1 11 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.298 -1.998 17821
3540 1 11 . 1 1 56 56 HIS H H 56 7.640 7.640 8.552 -0.912 17821
3541 1 11 . 1 1 57 57 LYS N N 57 119.200 119.200 118.674 0.526 17821
3542 1 11 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.775 -0.175 17821
3543 1 11 . 1 1 57 57 LYS C C 57 176.200 176.200 178.811 -2.611 17821
3544 1 11 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.390 -1.790 17821
3545 1 11 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.950 -2.450 17821
3546 1 11 . 1 1 57 57 LYS H H 57 7.620 7.620 8.274 -0.654 17821
3547 1 11 . 1 1 58 58 GLU N N 58 118.400 118.400 120.798 -2.398 17821
3548 1 11 . 1 1 58 58 GLU HA H 58 3.970 3.970 3.934 0.036 17821
3549 1 11 . 1 1 58 58 GLU C C 58 176.200 176.200 178.942 -2.742 17821
3550 1 11 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.295 -3.095 17821
3551 1 11 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.289 -2.989 17821
3552 1 11 . 1 1 58 58 GLU H H 58 8.490 8.490 8.232 0.258 17821
3553 1 11 . 1 1 59 59 SER N N 59 116.100 116.100 114.104 1.996 17821
3554 1 11 . 1 1 59 59 SER HA H 59 4.150 4.150 4.220 -0.070 17821
3555 1 11 . 1 1 59 59 SER CA C 59 58.400 58.400 61.313 -2.913 17821
3556 1 11 . 1 1 59 59 SER CB C 59 60.300 60.300 63.298 -2.998 17821
3557 1 11 . 1 1 59 59 SER H H 59 7.790 7.790 7.966 -0.176 17821
3558 1 11 . 1 1 60 60 MET N N 60 117.500 117.500 116.562 0.938 17821
3559 1 11 . 1 1 60 60 MET HA H 60 4.170 4.170 4.427 -0.257 17821
3560 1 11 . 1 1 60 60 MET C C 60 176.400 176.400 178.197 -1.797 17821
3561 1 11 . 1 1 60 60 MET CA C 60 54.400 54.400 55.504 -1.104 17821
3562 1 11 . 1 1 60 60 MET CB C 60 29.100 29.100 32.264 -3.164 17821
3563 1 11 . 1 1 60 60 MET H H 60 7.880 7.880 7.869 0.011 17821
3564 1 11 . 1 1 61 61 ARG N N 61 121.300 121.300 122.507 -1.207 17821
3565 1 11 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.976 0.194 17821
3566 1 11 . 1 1 61 61 ARG C C 61 177.500 177.500 178.468 -0.968 17821
3567 1 11 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.974 -2.874 17821
3568 1 11 . 1 1 61 61 ARG CB C 61 27.500 27.500 29.907 -2.407 17821
3569 1 11 . 1 1 61 61 ARG H H 61 8.290 8.290 8.413 -0.123 17821
3570 1 11 . 1 1 62 62 ALA N N 62 123.200 123.200 122.670 0.530 17821
3571 1 11 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.107 -0.037 17821
3572 1 11 . 1 1 62 62 ALA C C 62 176.400 176.400 178.251 -1.851 17821
3573 1 11 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.256 -2.756 17821
3574 1 11 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.538 -3.438 17821
3575 1 11 . 1 1 62 62 ALA H H 62 7.950 7.950 7.995 -0.045 17821
3576 1 11 . 1 1 63 63 LEU N N 63 117.500 117.500 115.704 1.796 17821
3577 1 11 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.365 -0.165 17821
3578 1 11 . 1 1 63 63 LEU C C 63 174.400 174.400 177.672 -3.272 17821
3579 1 11 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.759 -0.859 17821
3580 1 11 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.355 -1.556 17821
3581 1 11 . 1 1 63 63 LEU H H 63 7.450 7.450 7.229 0.221 17821
3582 1 11 . 1 1 64 64 GLY N N 64 106.300 106.300 108.505 -2.205 17821
3583 1 11 . 1 1 64 64 GLY C C 64 171.400 171.400 175.249 -3.849 17821
3584 1 11 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.497 -4.397 17821
3585 1 11 . 1 1 64 64 GLY H H 64 7.780 7.780 7.597 0.183 17821
3586 1 11 . 1 1 65 65 PHE N N 65 119.800 119.800 119.838 -0.038 17821
3587 1 11 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.863 -0.393 17821
3588 1 11 . 1 1 65 65 PHE C C 65 172.300 172.300 175.187 -2.887 17821
3589 1 11 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.478 -0.578 17821
3590 1 11 . 1 1 65 65 PHE CB C 65 36.900 36.900 36.991 -0.091 17821
3591 1 11 . 1 1 65 65 PHE H H 65 7.840 7.840 7.002 0.838 17821
3592 1 11 . 1 1 66 66 LYS N N 66 124.000 124.000 121.363 2.637 17821
3593 1 11 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.529 -0.269 17821
3594 1 11 . 1 1 66 66 LYS C C 66 172.200 172.200 175.337 -3.137 17821
3595 1 11 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.756 -3.556 17821
3596 1 11 . 1 1 66 66 LYS CB C 66 29.300 29.300 34.860 -5.560 17821
3597 1 11 . 1 1 66 66 LYS H H 66 8.370 8.370 8.145 0.225 17821
3598 1 12 . 1 1 4 4 THR N N 4 117.400 117.400 118.805 -1.405 17821
3599 1 12 . 1 1 4 4 THR HA H 4 4.130 4.130 4.374 -0.244 17821
3600 1 12 . 1 1 4 4 THR C C 4 170.800 170.800 172.693 -1.893 17821
3601 1 12 . 1 1 4 4 THR CA C 4 58.800 58.800 60.190 -1.390 17821
3602 1 12 . 1 1 4 4 THR CB C 4 67.000 67.000 70.675 -3.675 17821
3603 1 12 . 1 1 4 4 THR H H 4 7.980 7.980 7.416 0.564 17821
3604 1 12 . 1 1 5 5 MET N N 5 124.400 124.400 121.922 2.478 17821
3605 1 12 . 1 1 5 5 MET C C 5 171.200 171.200 174.269 -3.069 17821
3606 1 12 . 1 1 5 5 MET CA C 5 50.400 50.400 53.464 -3.064 17821
3607 1 12 . 1 1 5 5 MET CB C 5 29.600 29.600 33.364 -3.764 17821
3608 1 12 . 1 1 5 5 MET H H 5 8.250 8.250 8.292 -0.042 17821
3609 1 12 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.372 -0.092 17821
3610 1 12 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.240 -2.740 17821
3611 1 12 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.931 -2.732 17821
3612 1 12 . 1 1 7 7 GLY N N 7 109.000 109.000 109.089 -0.089 17821
3613 1 12 . 1 1 7 7 GLY C C 7 171.200 171.200 175.040 -3.840 17821
3614 1 12 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.868 -3.468 17821
3615 1 12 . 1 1 7 7 GLY H H 7 8.360 8.360 8.578 -0.218 17821
3616 1 12 . 1 1 8 8 LEU N N 8 121.700 121.700 123.683 -1.983 17821
3617 1 12 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.346 -0.086 17821
3618 1 12 . 1 1 8 8 LEU C C 8 174.600 174.600 176.130 -1.530 17821
3619 1 12 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.146 -2.846 17821
3620 1 12 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.648 -1.248 17821
3621 1 12 . 1 1 8 8 LEU H H 8 7.920 7.920 7.701 0.219 17821
3622 1 12 . 1 1 9 9 VAL N N 9 120.900 120.900 116.709 4.191 17821
3623 1 12 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.283 -0.303 17821
3624 1 12 . 1 1 9 9 VAL C C 9 172.900 172.900 174.739 -1.839 17821
3625 1 12 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.833 -1.433 17821
3626 1 12 . 1 1 9 9 VAL CB C 9 30.000 30.000 34.279 -4.279 17821
3627 1 12 . 1 1 9 9 VAL H H 9 8.050 8.050 7.679 0.371 17821
3628 1 12 . 1 1 10 10 ASP N N 10 124.300 124.300 126.913 -2.613 17821
3629 1 12 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.789 -0.319 17821
3630 1 12 . 1 1 10 10 ASP C C 10 173.100 173.100 175.662 -2.562 17821
3631 1 12 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.699 -3.199 17821
3632 1 12 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.155 -2.855 17821
3633 1 12 . 1 1 10 10 ASP H H 10 8.300 8.300 8.492 -0.192 17821
3634 1 12 . 1 1 11 11 SER N N 11 116.400 116.400 119.122 -2.722 17821
3635 1 12 . 1 1 11 11 SER HA H 11 4.290 4.290 4.597 -0.307 17821
3636 1 12 . 1 1 11 11 SER C C 11 171.200 171.200 173.150 -1.950 17821
3637 1 12 . 1 1 11 11 SER CA C 11 55.500 55.500 57.944 -2.444 17821
3638 1 12 . 1 1 11 11 SER CB C 11 60.900 60.900 63.852 -2.953 17821
3639 1 12 . 1 1 11 11 SER H H 11 8.130 8.130 8.490 -0.360 17821
3640 1 12 . 1 1 12 12 ASN N N 12 121.600 121.600 123.102 -1.502 17821
3641 1 12 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.050 -0.820 17821
3642 1 12 . 1 1 12 12 ASN C C 12 170.000 170.000 173.020 -3.020 17821
3643 1 12 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.679 4.821 17821
3644 1 12 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.979 -2.979 17821
3645 1 12 . 1 1 12 12 ASN H H 12 8.360 8.360 8.668 -0.308 17821
3646 1 12 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.555 -0.265 17821
3647 1 12 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.264 -1.964 17821
3648 1 12 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.356 -3.156 17821
3649 1 12 . 1 1 14 14 ALA N N 14 125.700 125.700 123.763 1.937 17821
3650 1 12 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.527 -0.117 17821
3651 1 12 . 1 1 14 14 ALA C C 14 172.200 172.200 176.720 -4.520 17821
3652 1 12 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.504 -3.004 17821
3653 1 12 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.944 -3.844 17821
3654 1 12 . 1 1 14 14 ALA H H 14 8.260 8.260 8.299 -0.039 17821
3655 1 12 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.679 -0.399 17821
3656 1 12 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.785 -2.285 17821
3657 1 12 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.829 -3.629 17821
3658 1 12 . 1 1 17 17 GLU N N 17 120.600 120.600 119.234 1.366 17821
3659 1 12 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.472 -0.352 17821
3660 1 12 . 1 1 17 17 GLU C C 17 173.900 173.900 174.792 -0.892 17821
3661 1 12 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.888 -1.788 17821
3662 1 12 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.893 -4.793 17821
3663 1 12 . 1 1 17 17 GLU H H 17 8.550 8.550 8.404 0.146 17821
3664 1 12 . 1 1 18 18 SER N N 18 116.400 116.400 117.658 -1.258 17821
3665 1 12 . 1 1 18 18 SER HA H 18 4.310 4.310 4.675 -0.365 17821
3666 1 12 . 1 1 18 18 SER C C 18 171.900 171.900 174.265 -2.365 17821
3667 1 12 . 1 1 18 18 SER CA C 18 55.600 55.600 58.080 -2.480 17821
3668 1 12 . 1 1 18 18 SER CB C 18 60.800 60.800 63.794 -2.994 17821
3669 1 12 . 1 1 18 18 SER H H 18 8.240 8.240 8.482 -0.242 17821
3670 1 12 . 1 1 19 19 GLN N N 19 122.300 122.300 122.900 -0.600 17821
3671 1 12 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.145 0.055 17821
3672 1 12 . 1 1 19 19 GLN C C 19 173.100 173.100 175.059 -1.959 17821
3673 1 12 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.664 -3.664 17821
3674 1 12 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.372 -1.872 17821
3675 1 12 . 1 1 19 19 GLN H H 19 8.310 8.310 8.605 -0.295 17821
3676 1 12 . 1 1 20 20 GLU N N 20 121.600 121.600 121.134 0.466 17821
3677 1 12 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.213 0.077 17821
3678 1 12 . 1 1 20 20 GLU C C 20 173.500 173.500 175.819 -2.319 17821
3679 1 12 . 1 1 20 20 GLU CA C 20 53.900 53.900 57.258 -3.358 17821
3680 1 12 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.393 -2.993 17821
3681 1 12 . 1 1 20 20 GLU H H 20 8.240 8.240 8.362 -0.122 17821
3682 1 12 . 1 1 21 21 LYS N N 21 122.900 122.900 124.650 -1.750 17821
3683 1 12 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.460 -0.280 17821
3684 1 12 . 1 1 21 21 LYS C C 21 173.400 173.400 176.030 -2.630 17821
3685 1 12 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.583 -2.283 17821
3686 1 12 . 1 1 21 21 LYS CB C 21 29.800 29.800 34.288 -4.487 17821
3687 1 12 . 1 1 21 21 LYS H H 21 8.260 8.260 8.662 -0.402 17821
3688 1 12 . 1 1 22 22 LYS N N 22 124.000 124.000 122.955 1.045 17821
3689 1 12 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.451 -0.001 17821
3690 1 12 . 1 1 22 22 LYS C C 22 171.500 171.500 175.276 -3.776 17821
3691 1 12 . 1 1 22 22 LYS CA C 22 51.200 51.200 55.166 -3.966 17821
3692 1 12 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.185 -1.685 17821
3693 1 12 . 1 1 22 22 LYS H H 22 8.220 8.220 8.477 -0.257 17821
3694 1 12 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.358 -0.068 17821
3695 1 12 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.327 -3.227 17821
3696 1 12 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.265 -3.065 17821
3697 1 12 . 1 1 24 24 LEU N N 24 122.700 122.700 123.728 -1.028 17821
3698 1 12 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.543 -0.383 17821
3699 1 12 . 1 1 24 24 LEU C C 24 174.400 174.400 176.707 -2.307 17821
3700 1 12 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.044 -2.643 17821
3701 1 12 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.402 -2.802 17821
3702 1 12 . 1 1 24 24 LEU H H 24 8.270 8.270 8.531 -0.261 17821
3703 1 12 . 1 1 25 25 LYS N N 25 123.400 123.400 124.629 -1.229 17821
3704 1 12 . 1 1 25 25 LYS C C 25 171.600 171.600 174.949 -3.349 17821
3705 1 12 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.935 -3.035 17821
3706 1 12 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.870 -3.070 17821
3707 1 12 . 1 1 25 25 LYS H H 25 8.180 8.180 8.525 -0.345 17821
3708 1 12 . 1 1 28 28 CYS CA C 28 46.000 46.000 57.321 -11.321 17821
3709 1 12 . 1 1 28 28 CYS CB C 28 31.000 31.000 29.901 1.099 17821
3710 1 12 . 1 1 29 29 ALA N N 29 123.800 123.800 123.282 0.518 17821
3711 1 12 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.597 -0.447 17821
3712 1 12 . 1 1 29 29 ALA C C 29 173.200 173.200 176.895 -3.695 17821
3713 1 12 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.652 -1.952 17821
3714 1 12 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.930 -3.330 17821
3715 1 12 . 1 1 29 29 ALA H H 29 8.050 8.050 8.193 -0.143 17821
3716 1 12 . 1 1 30 30 SER N N 30 112.800 112.800 116.102 -3.302 17821
3717 1 12 . 1 1 30 30 SER HA H 30 4.580 4.580 5.037 -0.457 17821
3718 1 12 . 1 1 30 30 SER C C 30 173.300 173.300 173.919 -0.619 17821
3719 1 12 . 1 1 30 30 SER CA C 30 52.600 52.600 55.642 -3.042 17821
3720 1 12 . 1 1 30 30 SER CB C 30 59.400 59.400 62.752 -3.352 17821
3721 1 12 . 1 1 30 30 SER H H 30 8.270 8.270 8.941 -0.671 17821
3722 1 12 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.255 -0.095 17821
3723 1 12 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.001 -3.201 17821
3724 1 12 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.137 -2.837 17821
3725 1 12 . 1 1 32 32 GLU N N 32 119.100 119.100 117.752 1.348 17821
3726 1 12 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.176 -0.116 17821
3727 1 12 . 1 1 32 32 GLU C C 32 177.300 177.300 178.226 -0.926 17821
3728 1 12 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.526 -2.626 17821
3729 1 12 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.924 -2.924 17821
3730 1 12 . 1 1 32 32 GLU H H 32 8.720 8.720 8.953 -0.233 17821
3731 1 12 . 1 1 33 33 THR N N 33 110.800 110.800 112.924 -2.124 17821
3732 1 12 . 1 1 33 33 THR HA H 33 4.040 4.040 4.156 -0.116 17821
3733 1 12 . 1 1 33 33 THR C C 33 176.000 176.000 176.229 -0.229 17821
3734 1 12 . 1 1 33 33 THR CA C 33 61.700 61.700 65.773 -4.073 17821
3735 1 12 . 1 1 33 33 THR CB C 33 64.100 64.100 68.864 -4.764 17821
3736 1 12 . 1 1 33 33 THR H H 33 7.620 7.620 7.800 -0.180 17821
3737 1 12 . 1 1 34 34 LYS N N 34 127.100 127.100 122.153 4.947 17821
3738 1 12 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.092 -1.172 17821
3739 1 12 . 1 1 34 34 LYS C C 34 174.300 174.300 178.470 -4.170 17821
3740 1 12 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.711 -2.411 17821
3741 1 12 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.324 -2.324 17821
3742 1 12 . 1 1 34 34 LYS H H 34 7.740 7.740 7.973 -0.233 17821
3743 1 12 . 1 1 35 35 LYS N N 35 118.500 118.500 119.873 -1.373 17821
3744 1 12 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.148 -0.258 17821
3745 1 12 . 1 1 35 35 LYS C C 35 176.500 176.500 178.954 -2.454 17821
3746 1 12 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.740 -2.040 17821
3747 1 12 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.954 -2.454 17821
3748 1 12 . 1 1 35 35 LYS H H 35 7.880 7.880 8.251 -0.371 17821
3749 1 12 . 1 1 36 36 ALA N N 36 120.100 120.100 122.155 -2.055 17821
3750 1 12 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.146 -0.105 17821
3751 1 12 . 1 1 36 36 ALA C C 36 177.600 177.600 179.649 -2.049 17821
3752 1 12 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.955 -2.955 17821
3753 1 12 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.371 -2.971 17821
3754 1 12 . 1 1 36 36 ALA H H 36 7.490 7.490 8.204 -0.714 17821
3755 1 12 . 1 1 37 37 ARG N N 37 118.500 118.500 119.279 -0.779 17821
3756 1 12 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.952 -0.332 17821
3757 1 12 . 1 1 37 37 ARG C C 37 174.100 174.100 178.008 -3.908 17821
3758 1 12 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.850 -3.250 17821
3759 1 12 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.198 -3.098 17821
3760 1 12 . 1 1 37 37 ARG H H 37 7.630 7.630 8.333 -0.703 17821
3761 1 12 . 1 1 38 38 ASP N N 38 120.200 120.200 119.095 1.105 17821
3762 1 12 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.360 -0.090 17821
3763 1 12 . 1 1 38 38 ASP C C 38 175.500 175.500 178.436 -2.936 17821
3764 1 12 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.447 -2.747 17821
3765 1 12 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.357 -4.157 17821
3766 1 12 . 1 1 38 38 ASP H H 38 8.680 8.680 8.187 0.493 17821
3767 1 12 . 1 1 39 39 ALA N N 39 121.100 121.100 122.379 -1.279 17821
3768 1 12 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.164 -0.154 17821
3769 1 12 . 1 1 39 39 ALA C C 39 176.800 176.800 179.627 -2.827 17821
3770 1 12 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.044 -2.944 17821
3771 1 12 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.269 -3.069 17821
3772 1 12 . 1 1 39 39 ALA H H 39 8.040 8.040 8.213 -0.173 17821
3773 1 12 . 1 1 40 40 CYS N N 40 117.600 117.600 118.603 -1.003 17821
3774 1 12 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.170 0.010 17821
3775 1 12 . 1 1 40 40 CYS C C 40 173.800 173.800 176.756 -2.956 17821
3776 1 12 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.675 -4.774 17821
3777 1 12 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.872 10.528 17821
3778 1 12 . 1 1 40 40 CYS H H 40 7.340 7.340 7.983 -0.643 17821
3779 1 12 . 1 1 41 41 ILE N N 41 121.500 121.500 121.165 0.335 17821
3780 1 12 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.891 -0.841 17821
3781 1 12 . 1 1 41 41 ILE C C 41 176.100 176.100 178.304 -2.204 17821
3782 1 12 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.804 -1.404 17821
3783 1 12 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.645 -2.345 17821
3784 1 12 . 1 1 41 41 ILE H H 41 8.230 8.230 8.440 -0.210 17821
3785 1 12 . 1 1 42 42 ILE N N 42 119.200 119.200 119.423 -0.223 17821
3786 1 12 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.762 -0.072 17821
3787 1 12 . 1 1 42 42 ILE C C 42 174.200 174.200 177.789 -3.589 17821
3788 1 12 . 1 1 42 42 ILE CA C 42 61.300 61.300 63.931 -2.631 17821
3789 1 12 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.777 -0.977 17821
3790 1 12 . 1 1 42 42 ILE H H 42 7.770 7.770 7.966 -0.196 17821
3791 1 12 . 1 1 43 43 GLU N N 43 118.700 118.700 119.684 -0.984 17821
3792 1 12 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.121 -0.071 17821
3793 1 12 . 1 1 43 43 GLU C C 43 175.300 175.300 177.957 -2.657 17821
3794 1 12 . 1 1 43 43 GLU CA C 43 56.300 56.300 59.093 -2.792 17821
3795 1 12 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.317 -2.117 17821
3796 1 12 . 1 1 43 43 GLU H H 43 7.600 7.600 7.922 -0.322 17821
3797 1 12 . 1 1 44 44 LYS N N 44 114.600 114.600 114.359 0.241 17821
3798 1 12 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.572 -0.122 17821
3799 1 12 . 1 1 44 44 LYS C C 44 174.500 174.500 176.535 -2.035 17821
3800 1 12 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.249 -2.449 17821
3801 1 12 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.833 -3.133 17821
3802 1 12 . 1 1 44 44 LYS H H 44 8.860 8.860 8.427 0.433 17821
3803 1 12 . 1 1 45 45 GLY N N 45 108.700 108.700 108.506 0.194 17821
3804 1 12 . 1 1 45 45 GLY C C 45 171.000 171.000 173.789 -2.789 17821
3805 1 12 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.689 -3.389 17821
3806 1 12 . 1 1 45 45 GLY H H 45 7.690 7.690 7.759 -0.069 17821
3807 1 12 . 1 1 46 46 GLU N N 46 120.800 120.800 121.536 -0.736 17821
3808 1 12 . 1 1 46 46 GLU HA H 46 3.440 3.440 4.272 -0.832 17821
3809 1 12 . 1 1 46 46 GLU C C 46 175.800 175.800 176.420 -0.620 17821
3810 1 12 . 1 1 46 46 GLU CA C 46 58.300 58.300 57.730 0.570 17821
3811 1 12 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.987 -2.887 17821
3812 1 12 . 1 1 46 46 GLU H H 46 8.900 8.900 8.694 0.206 17821
3813 1 12 . 1 1 47 47 GLU N N 47 118.700 118.700 116.557 2.143 17821
3814 1 12 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.310 -0.370 17821
3815 1 12 . 1 1 47 47 GLU C C 47 174.300 174.300 176.877 -2.577 17821
3816 1 12 . 1 1 47 47 GLU CA C 47 55.900 55.900 55.678 0.222 17821
3817 1 12 . 1 1 47 47 GLU CB C 47 25.500 25.500 30.224 -4.724 17821
3818 1 12 . 1 1 47 47 GLU H H 47 9.530 9.530 7.885 1.645 17821
3819 1 12 . 1 1 48 48 HIS N N 48 117.500 117.500 114.794 2.706 17821
3820 1 12 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.224 0.646 17821
3821 1 12 . 1 1 48 48 HIS C C 48 173.300 173.300 175.008 -1.708 17821
3822 1 12 . 1 1 48 48 HIS CA C 48 53.100 53.100 58.145 -5.045 17821
3823 1 12 . 1 1 48 48 HIS CB C 48 28.900 28.900 27.928 0.972 17821
3824 1 12 . 1 1 48 48 HIS H H 48 7.500 7.500 8.685 -1.185 17821
3825 1 12 . 1 1 49 49 CYS N N 49 116.100 116.100 119.768 -3.668 17821
3826 1 12 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.680 0.370 17821
3827 1 12 . 1 1 49 49 CYS C C 49 173.700 173.700 176.279 -2.579 17821
3828 1 12 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.488 -6.788 17821
3829 1 12 . 1 1 49 49 CYS CB C 49 39.500 39.500 25.972 13.528 17821
3830 1 12 . 1 1 49 49 CYS H H 49 7.460 7.460 8.004 -0.544 17821
3831 1 12 . 1 1 50 50 GLY N N 50 112.900 112.900 108.949 3.951 17821
3832 1 12 . 1 1 50 50 GLY C C 50 172.500 172.500 175.720 -3.220 17821
3833 1 12 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.348 -2.048 17821
3834 1 12 . 1 1 50 50 GLY H H 50 9.150 9.150 8.747 0.403 17821
3835 1 12 . 1 1 51 51 HIS C C 51 175.400 175.400 177.282 -1.882 17821
3836 1 12 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.552 -2.152 17821
3837 1 12 . 1 1 51 51 HIS CB C 51 26.000 26.000 30.031 -4.031 17821
3838 1 12 . 1 1 52 52 LEU N N 52 122.000 122.000 121.766 0.234 17821
3839 1 12 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.212 -0.102 17821
3840 1 12 . 1 1 52 52 LEU C C 52 177.700 177.700 178.369 -0.669 17821
3841 1 12 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.992 -3.192 17821
3842 1 12 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.273 -1.774 17821
3843 1 12 . 1 1 52 52 LEU H H 52 6.810 6.810 7.906 -1.096 17821
3844 1 12 . 1 1 53 53 ILE N N 53 124.200 124.200 120.875 3.325 17821
3845 1 12 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.648 -0.218 17821
3846 1 12 . 1 1 53 53 ILE C C 53 176.100 176.100 178.150 -2.050 17821
3847 1 12 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.091 -2.891 17821
3848 1 12 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.840 -1.940 17821
3849 1 12 . 1 1 53 53 ILE H H 53 8.170 8.170 8.546 -0.376 17821
3850 1 12 . 1 1 54 54 GLU N N 54 120.600 120.600 120.461 0.139 17821
3851 1 12 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.942 0.088 17821
3852 1 12 . 1 1 54 54 GLU C C 54 175.400 175.400 178.646 -3.246 17821
3853 1 12 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.965 -3.865 17821
3854 1 12 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.592 -3.592 17821
3855 1 12 . 1 1 54 54 GLU H H 54 8.380 8.380 8.154 0.226 17821
3856 1 12 . 1 1 55 55 ALA N N 55 120.800 120.800 121.836 -1.036 17821
3857 1 12 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.028 0.092 17821
3858 1 12 . 1 1 55 55 ALA C C 55 177.900 177.900 179.100 -1.200 17821
3859 1 12 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.285 -3.085 17821
3860 1 12 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.182 -3.082 17821
3861 1 12 . 1 1 55 55 ALA H H 55 7.880 7.880 8.003 -0.123 17821
3862 1 12 . 1 1 56 56 HIS N N 56 117.400 117.400 119.456 -2.056 17821
3863 1 12 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.326 -0.026 17821
3864 1 12 . 1 1 56 56 HIS C C 56 173.500 173.500 177.423 -3.923 17821
3865 1 12 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.868 -2.868 17821
3866 1 12 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.469 -2.169 17821
3867 1 12 . 1 1 56 56 HIS H H 56 7.640 7.640 8.564 -0.924 17821
3868 1 12 . 1 1 57 57 LYS N N 57 119.200 119.200 119.319 -0.119 17821
3869 1 12 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.910 -0.310 17821
3870 1 12 . 1 1 57 57 LYS C C 57 176.200 176.200 178.892 -2.692 17821
3871 1 12 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.839 -2.239 17821
3872 1 12 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.117 -2.617 17821
3873 1 12 . 1 1 57 57 LYS H H 57 7.620 7.620 8.521 -0.901 17821
3874 1 12 . 1 1 58 58 GLU N N 58 118.400 118.400 120.035 -1.635 17821
3875 1 12 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.041 -0.071 17821
3876 1 12 . 1 1 58 58 GLU C C 58 176.200 176.200 179.101 -2.901 17821
3877 1 12 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.951 -2.751 17821
3878 1 12 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.386 -3.086 17821
3879 1 12 . 1 1 58 58 GLU H H 58 8.490 8.490 8.286 0.204 17821
3880 1 12 . 1 1 59 59 SER N N 59 116.100 116.100 116.307 -0.207 17821
3881 1 12 . 1 1 59 59 SER HA H 59 4.150 4.150 4.095 0.055 17821
3882 1 12 . 1 1 59 59 SER CA C 59 58.400 58.400 61.901 -3.501 17821
3883 1 12 . 1 1 59 59 SER CB C 59 60.300 60.300 63.083 -2.783 17821
3884 1 12 . 1 1 59 59 SER H H 59 7.790 7.790 8.181 -0.391 17821
3885 1 12 . 1 1 60 60 MET N N 60 117.500 117.500 118.219 -0.719 17821
3886 1 12 . 1 1 60 60 MET HA H 60 4.170 4.170 3.970 0.200 17821
3887 1 12 . 1 1 60 60 MET C C 60 176.400 176.400 177.757 -1.357 17821
3888 1 12 . 1 1 60 60 MET CA C 60 54.400 54.400 55.323 -0.923 17821
3889 1 12 . 1 1 60 60 MET CB C 60 29.100 29.100 31.181 -2.081 17821
3890 1 12 . 1 1 60 60 MET H H 60 7.880 7.880 8.133 -0.253 17821
3891 1 12 . 1 1 61 61 ARG N N 61 121.300 121.300 121.188 0.112 17821
3892 1 12 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.984 0.186 17821
3893 1 12 . 1 1 61 61 ARG C C 61 177.500 177.500 178.218 -0.718 17821
3894 1 12 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.035 -2.934 17821
3895 1 12 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.162 -2.662 17821
3896 1 12 . 1 1 61 61 ARG H H 61 8.290 8.290 8.279 0.011 17821
3897 1 12 . 1 1 62 62 ALA N N 62 123.200 123.200 121.648 1.552 17821
3898 1 12 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.117 -0.047 17821
3899 1 12 . 1 1 62 62 ALA C C 62 176.400 176.400 178.850 -2.450 17821
3900 1 12 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.941 -2.442 17821
3901 1 12 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.432 -3.332 17821
3902 1 12 . 1 1 62 62 ALA H H 62 7.950 7.950 7.737 0.213 17821
3903 1 12 . 1 1 63 63 LEU N N 63 117.500 117.500 116.800 0.700 17821
3904 1 12 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.297 -0.097 17821
3905 1 12 . 1 1 63 63 LEU C C 63 174.400 174.400 178.079 -3.679 17821
3906 1 12 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.677 -1.777 17821
3907 1 12 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.937 -2.137 17821
3908 1 12 . 1 1 63 63 LEU H H 63 7.450 7.450 7.189 0.261 17821
3909 1 12 . 1 1 64 64 GLY N N 64 106.300 106.300 107.748 -1.448 17821
3910 1 12 . 1 1 64 64 GLY C C 64 171.400 171.400 174.421 -3.021 17821
3911 1 12 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.578 -3.478 17821
3912 1 12 . 1 1 64 64 GLY H H 64 7.780 7.780 7.849 -0.069 17821
3913 1 12 . 1 1 65 65 PHE N N 65 119.800 119.800 115.288 4.512 17821
3914 1 12 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.945 -0.475 17821
3915 1 12 . 1 1 65 65 PHE C C 65 172.300 172.300 174.647 -2.347 17821
3916 1 12 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.703 -0.803 17821
3917 1 12 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.338 -1.438 17821
3918 1 12 . 1 1 65 65 PHE H H 65 7.840 7.840 7.324 0.516 17821
3919 1 12 . 1 1 66 66 LYS N N 66 124.000 124.000 122.255 1.745 17821
3920 1 12 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.490 -0.230 17821
3921 1 12 . 1 1 66 66 LYS C C 66 172.200 172.200 175.329 -3.129 17821
3922 1 12 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.618 -3.418 17821
3923 1 12 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.782 -4.482 17821
3924 1 12 . 1 1 66 66 LYS H H 66 8.370 8.370 8.028 0.342 17821
3925 1 13 . 1 1 4 4 THR N N 4 117.400 117.400 117.184 0.216 17821
3926 1 13 . 1 1 4 4 THR HA H 4 4.130 4.130 4.080 0.050 17821
3927 1 13 . 1 1 4 4 THR C C 4 170.800 170.800 173.327 -2.527 17821
3928 1 13 . 1 1 4 4 THR CA C 4 58.800 58.800 60.754 -1.954 17821
3929 1 13 . 1 1 4 4 THR CB C 4 67.000 67.000 69.889 -2.889 17821
3930 1 13 . 1 1 4 4 THR H H 4 7.980 7.980 8.054 -0.074 17821
3931 1 13 . 1 1 5 5 MET N N 5 124.400 124.400 125.038 -0.638 17821
3932 1 13 . 1 1 5 5 MET C C 5 171.200 171.200 174.221 -3.021 17821
3933 1 13 . 1 1 5 5 MET CA C 5 50.400 50.400 51.547 -1.147 17821
3934 1 13 . 1 1 5 5 MET CB C 5 29.600 29.600 32.780 -3.180 17821
3935 1 13 . 1 1 5 5 MET H H 5 8.250 8.250 8.078 0.172 17821
3936 1 13 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.691 -0.411 17821
3937 1 13 . 1 1 6 6 PRO CA C 6 60.500 60.500 62.435 -1.935 17821
3938 1 13 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.605 -3.405 17821
3939 1 13 . 1 1 7 7 GLY N N 7 109.000 109.000 110.118 -1.118 17821
3940 1 13 . 1 1 7 7 GLY C C 7 171.200 171.200 175.129 -3.929 17821
3941 1 13 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.329 -2.929 17821
3942 1 13 . 1 1 7 7 GLY H H 7 8.360 8.360 8.690 -0.330 17821
3943 1 13 . 1 1 8 8 LEU N N 8 121.700 121.700 118.716 2.984 17821
3944 1 13 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.558 -0.298 17821
3945 1 13 . 1 1 8 8 LEU C C 8 174.600 174.600 175.691 -1.091 17821
3946 1 13 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.051 -2.751 17821
3947 1 13 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.992 -1.592 17821
3948 1 13 . 1 1 8 8 LEU H H 8 7.920 7.920 8.132 -0.212 17821
3949 1 13 . 1 1 9 9 VAL N N 9 120.900 120.900 120.977 -0.077 17821
3950 1 13 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.219 -0.239 17821
3951 1 13 . 1 1 9 9 VAL C C 9 172.900 172.900 175.111 -2.211 17821
3952 1 13 . 1 1 9 9 VAL CA C 9 59.400 59.400 62.044 -2.644 17821
3953 1 13 . 1 1 9 9 VAL CB C 9 30.000 30.000 35.041 -5.041 17821
3954 1 13 . 1 1 9 9 VAL H H 9 8.050 8.050 7.487 0.562 17821
3955 1 13 . 1 1 10 10 ASP N N 10 124.300 124.300 128.131 -3.831 17821
3956 1 13 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.710 -0.240 17821
3957 1 13 . 1 1 10 10 ASP C C 10 173.100 173.100 175.923 -2.823 17821
3958 1 13 . 1 1 10 10 ASP CA C 10 51.500 51.500 55.611 -4.111 17821
3959 1 13 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.902 -2.602 17821
3960 1 13 . 1 1 10 10 ASP H H 10 8.300 8.300 8.718 -0.418 17821
3961 1 13 . 1 1 11 11 SER N N 11 116.400 116.400 118.607 -2.207 17821
3962 1 13 . 1 1 11 11 SER HA H 11 4.290 4.290 4.544 -0.254 17821
3963 1 13 . 1 1 11 11 SER C C 11 171.200 171.200 173.944 -2.744 17821
3964 1 13 . 1 1 11 11 SER CA C 11 55.500 55.500 58.360 -2.860 17821
3965 1 13 . 1 1 11 11 SER CB C 11 60.900 60.900 63.789 -2.889 17821
3966 1 13 . 1 1 11 11 SER H H 11 8.130 8.130 8.563 -0.433 17821
3967 1 13 . 1 1 12 12 ASN N N 12 121.600 121.600 119.516 2.084 17821
3968 1 13 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.953 -0.723 17821
3969 1 13 . 1 1 12 12 ASN C C 12 170.000 170.000 172.807 -2.807 17821
3970 1 13 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.559 4.941 17821
3971 1 13 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.637 -3.637 17821
3972 1 13 . 1 1 12 12 ASN H H 12 8.360 8.360 7.704 0.656 17821
3973 1 13 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.607 -0.317 17821
3974 1 13 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.426 -2.126 17821
3975 1 13 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.305 -3.105 17821
3976 1 13 . 1 1 14 14 ALA N N 14 125.700 125.700 122.943 2.757 17821
3977 1 13 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.404 0.006 17821
3978 1 13 . 1 1 14 14 ALA C C 14 172.200 172.200 176.328 -4.128 17821
3979 1 13 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.361 -3.861 17821
3980 1 13 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.915 -2.815 17821
3981 1 13 . 1 1 14 14 ALA H H 14 8.260 8.260 8.166 0.094 17821
3982 1 13 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.688 -0.408 17821
3983 1 13 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.754 -2.254 17821
3984 1 13 . 1 1 16 16 PRO CB C 16 29.200 29.200 33.442 -4.242 17821
3985 1 13 . 1 1 17 17 GLU N N 17 120.600 120.600 118.969 1.631 17821
3986 1 13 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.354 -0.234 17821
3987 1 13 . 1 1 17 17 GLU C C 17 173.900 173.900 176.585 -2.685 17821
3988 1 13 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.559 -2.459 17821
3989 1 13 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.984 -2.884 17821
3990 1 13 . 1 1 17 17 GLU H H 17 8.550 8.550 8.632 -0.082 17821
3991 1 13 . 1 1 18 18 SER N N 18 116.400 116.400 118.122 -1.722 17821
3992 1 13 . 1 1 18 18 SER HA H 18 4.310 4.310 4.521 -0.211 17821
3993 1 13 . 1 1 18 18 SER C C 18 171.900 171.900 173.823 -1.923 17821
3994 1 13 . 1 1 18 18 SER CA C 18 55.600 55.600 58.261 -2.661 17821
3995 1 13 . 1 1 18 18 SER CB C 18 60.800 60.800 63.431 -2.631 17821
3996 1 13 . 1 1 18 18 SER H H 18 8.240 8.240 8.116 0.124 17821
3997 1 13 . 1 1 19 19 GLN N N 19 122.300 122.300 123.956 -1.656 17821
3998 1 13 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.548 -0.348 17821
3999 1 13 . 1 1 19 19 GLN C C 19 173.100 173.100 174.783 -1.683 17821
4000 1 13 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.722 -2.722 17821
4001 1 13 . 1 1 19 19 GLN CB C 19 26.500 26.500 30.689 -4.189 17821
4002 1 13 . 1 1 19 19 GLN H H 19 8.310 8.310 8.607 -0.297 17821
4003 1 13 . 1 1 20 20 GLU N N 20 121.600 121.600 122.970 -1.370 17821
4004 1 13 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.369 -0.079 17821
4005 1 13 . 1 1 20 20 GLU C C 20 173.500 173.500 174.726 -1.226 17821
4006 1 13 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.614 -2.714 17821
4007 1 13 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.417 -3.017 17821
4008 1 13 . 1 1 20 20 GLU H H 20 8.240 8.240 8.663 -0.423 17821
4009 1 13 . 1 1 21 21 LYS N N 21 122.900 122.900 123.269 -0.369 17821
4010 1 13 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.329 -0.149 17821
4011 1 13 . 1 1 21 21 LYS C C 21 173.400 173.400 176.035 -2.635 17821
4012 1 13 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.680 -3.380 17821
4013 1 13 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.872 -3.072 17821
4014 1 13 . 1 1 21 21 LYS H H 21 8.260 8.260 8.114 0.146 17821
4015 1 13 . 1 1 22 22 LYS N N 22 124.000 124.000 125.018 -1.018 17821
4016 1 13 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.759 -0.309 17821
4017 1 13 . 1 1 22 22 LYS C C 22 171.500 171.500 174.425 -2.925 17821
4018 1 13 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.504 -2.304 17821
4019 1 13 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.873 -3.373 17821
4020 1 13 . 1 1 22 22 LYS H H 22 8.220 8.220 8.354 -0.134 17821
4021 1 13 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.509 -0.219 17821
4022 1 13 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.900 -2.800 17821
4023 1 13 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.132 -2.932 17821
4024 1 13 . 1 1 24 24 LEU N N 24 122.700 122.700 125.196 -2.496 17821
4025 1 13 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.307 -0.147 17821
4026 1 13 . 1 1 24 24 LEU C C 24 174.400 174.400 176.601 -2.201 17821
4027 1 13 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.772 -3.372 17821
4028 1 13 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.745 -3.146 17821
4029 1 13 . 1 1 24 24 LEU H H 24 8.270 8.270 8.250 0.020 17821
4030 1 13 . 1 1 25 25 LYS N N 25 123.400 123.400 126.261 -2.861 17821
4031 1 13 . 1 1 25 25 LYS C C 25 171.600 171.600 174.812 -3.212 17821
4032 1 13 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.745 -3.845 17821
4033 1 13 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.439 -3.639 17821
4034 1 13 . 1 1 25 25 LYS H H 25 8.180 8.180 8.570 -0.390 17821
4035 1 13 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.078 -13.078 17821
4036 1 13 . 1 1 28 28 CYS CB C 28 31.000 31.000 27.559 3.441 17821
4037 1 13 . 1 1 29 29 ALA N N 29 123.800 123.800 122.641 1.159 17821
4038 1 13 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.561 -0.411 17821
4039 1 13 . 1 1 29 29 ALA C C 29 173.200 173.200 175.379 -2.179 17821
4040 1 13 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.823 -2.123 17821
4041 1 13 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.432 -2.832 17821
4042 1 13 . 1 1 29 29 ALA H H 29 8.050 8.050 7.551 0.499 17821
4043 1 13 . 1 1 30 30 SER N N 30 112.800 112.800 115.080 -2.280 17821
4044 1 13 . 1 1 30 30 SER HA H 30 4.580 4.580 5.081 -0.501 17821
4045 1 13 . 1 1 30 30 SER C C 30 173.300 173.300 173.355 -0.055 17821
4046 1 13 . 1 1 30 30 SER CA C 30 52.600 52.600 55.298 -2.699 17821
4047 1 13 . 1 1 30 30 SER CB C 30 59.400 59.400 63.600 -4.200 17821
4048 1 13 . 1 1 30 30 SER H H 30 8.270 8.270 8.781 -0.511 17821
4049 1 13 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.395 -0.235 17821
4050 1 13 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.733 -2.933 17821
4051 1 13 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.928 -2.628 17821
4052 1 13 . 1 1 32 32 GLU N N 32 119.100 119.100 117.515 1.585 17821
4053 1 13 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.062 -0.002 17821
4054 1 13 . 1 1 32 32 GLU C C 32 177.300 177.300 178.578 -1.278 17821
4055 1 13 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.502 -2.602 17821
4056 1 13 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.559 -2.559 17821
4057 1 13 . 1 1 32 32 GLU H H 32 8.720 8.720 9.074 -0.354 17821
4058 1 13 . 1 1 33 33 THR N N 33 110.800 110.800 112.327 -1.527 17821
4059 1 13 . 1 1 33 33 THR HA H 33 4.040 4.040 4.184 -0.144 17821
4060 1 13 . 1 1 33 33 THR C C 33 176.000 176.000 176.416 -0.416 17821
4061 1 13 . 1 1 33 33 THR CA C 33 61.700 61.700 65.794 -4.094 17821
4062 1 13 . 1 1 33 33 THR CB C 33 64.100 64.100 69.099 -4.999 17821
4063 1 13 . 1 1 33 33 THR H H 33 7.620 7.620 7.722 -0.102 17821
4064 1 13 . 1 1 34 34 LYS N N 34 127.100 127.100 120.989 6.111 17821
4065 1 13 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.929 -1.009 17821
4066 1 13 . 1 1 34 34 LYS C C 34 174.300 174.300 178.626 -4.326 17821
4067 1 13 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.068 -1.768 17821
4068 1 13 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.698 -1.698 17821
4069 1 13 . 1 1 34 34 LYS H H 34 7.740 7.740 8.093 -0.353 17821
4070 1 13 . 1 1 35 35 LYS N N 35 118.500 118.500 120.420 -1.920 17821
4071 1 13 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.031 -0.141 17821
4072 1 13 . 1 1 35 35 LYS C C 35 176.500 176.500 178.817 -2.317 17821
4073 1 13 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.672 -1.972 17821
4074 1 13 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.782 -2.282 17821
4075 1 13 . 1 1 35 35 LYS H H 35 7.880 7.880 8.209 -0.329 17821
4076 1 13 . 1 1 36 36 ALA N N 36 120.100 120.100 121.756 -1.656 17821
4077 1 13 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.120 -0.080 17821
4078 1 13 . 1 1 36 36 ALA C C 36 177.600 177.600 179.691 -2.091 17821
4079 1 13 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.924 -2.924 17821
4080 1 13 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.341 -2.941 17821
4081 1 13 . 1 1 36 36 ALA H H 36 7.490 7.490 7.954 -0.464 17821
4082 1 13 . 1 1 37 37 ARG N N 37 118.500 118.500 119.069 -0.569 17821
4083 1 13 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.893 -0.273 17821
4084 1 13 . 1 1 37 37 ARG C C 37 174.100 174.100 177.737 -3.637 17821
4085 1 13 . 1 1 37 37 ARG CA C 37 56.600 56.600 60.007 -3.407 17821
4086 1 13 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.132 -3.032 17821
4087 1 13 . 1 1 37 37 ARG H H 37 7.630 7.630 8.471 -0.841 17821
4088 1 13 . 1 1 38 38 ASP N N 38 120.200 120.200 119.140 1.060 17821
4089 1 13 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.304 -0.034 17821
4090 1 13 . 1 1 38 38 ASP C C 38 175.500 175.500 178.295 -2.795 17821
4091 1 13 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.565 -2.865 17821
4092 1 13 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.626 -4.426 17821
4093 1 13 . 1 1 38 38 ASP H H 38 8.680 8.680 8.122 0.558 17821
4094 1 13 . 1 1 39 39 ALA N N 39 121.100 121.100 121.009 0.091 17821
4095 1 13 . 1 1 39 39 ALA HA H 39 4.010 4.010 3.920 0.090 17821
4096 1 13 . 1 1 39 39 ALA C C 39 176.800 176.800 178.845 -2.045 17821
4097 1 13 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.776 -3.676 17821
4098 1 13 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.367 -3.167 17821
4099 1 13 . 1 1 39 39 ALA H H 39 8.040 8.040 7.997 0.043 17821
4100 1 13 . 1 1 40 40 CYS N N 40 117.600 117.600 117.791 -0.191 17821
4101 1 13 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.225 -0.045 17821
4102 1 13 . 1 1 40 40 CYS C C 40 173.800 173.800 176.912 -3.112 17821
4103 1 13 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.697 -4.798 17821
4104 1 13 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.064 10.336 17821
4105 1 13 . 1 1 40 40 CYS H H 40 7.340 7.340 8.009 -0.669 17821
4106 1 13 . 1 1 41 41 ILE N N 41 121.500 121.500 121.335 0.165 17821
4107 1 13 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.874 -0.824 17821
4108 1 13 . 1 1 41 41 ILE C C 41 176.100 176.100 178.639 -2.539 17821
4109 1 13 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.431 -1.031 17821
4110 1 13 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.675 -2.376 17821
4111 1 13 . 1 1 41 41 ILE H H 41 8.230 8.230 8.565 -0.335 17821
4112 1 13 . 1 1 42 42 ILE N N 42 119.200 119.200 120.496 -1.296 17821
4113 1 13 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.722 -0.032 17821
4114 1 13 . 1 1 42 42 ILE C C 42 174.200 174.200 177.924 -3.724 17821
4115 1 13 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.461 -3.161 17821
4116 1 13 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.722 -0.923 17821
4117 1 13 . 1 1 42 42 ILE H H 42 7.770 7.770 8.391 -0.621 17821
4118 1 13 . 1 1 43 43 GLU N N 43 118.700 118.700 119.363 -0.663 17821
4119 1 13 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.163 -0.113 17821
4120 1 13 . 1 1 43 43 GLU C C 43 175.300 175.300 177.953 -2.653 17821
4121 1 13 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.632 -2.332 17821
4122 1 13 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.165 -1.965 17821
4123 1 13 . 1 1 43 43 GLU H H 43 7.600 7.600 7.949 -0.349 17821
4124 1 13 . 1 1 44 44 LYS N N 44 114.600 114.600 114.545 0.055 17821
4125 1 13 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.541 -0.091 17821
4126 1 13 . 1 1 44 44 LYS C C 44 174.500 174.500 175.835 -1.335 17821
4127 1 13 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.189 -2.389 17821
4128 1 13 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.352 -2.652 17821
4129 1 13 . 1 1 44 44 LYS H H 44 8.860 8.860 8.445 0.415 17821
4130 1 13 . 1 1 45 45 GLY N N 45 108.700 108.700 108.705 -0.005 17821
4131 1 13 . 1 1 45 45 GLY C C 45 171.000 171.000 175.097 -4.097 17821
4132 1 13 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.545 -3.245 17821
4133 1 13 . 1 1 45 45 GLY H H 45 7.690 7.690 7.553 0.137 17821
4134 1 13 . 1 1 46 46 GLU N N 46 120.800 120.800 122.452 -1.652 17821
4135 1 13 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.837 -0.397 17821
4136 1 13 . 1 1 46 46 GLU C C 46 175.800 175.800 178.394 -2.594 17821
4137 1 13 . 1 1 46 46 GLU CA C 46 58.300 58.300 60.026 -1.726 17821
4138 1 13 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.561 -2.461 17821
4139 1 13 . 1 1 46 46 GLU H H 46 8.900 8.900 8.933 -0.033 17821
4140 1 13 . 1 1 47 47 GLU N N 47 118.700 118.700 117.811 0.889 17821
4141 1 13 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.052 -0.112 17821
4142 1 13 . 1 1 47 47 GLU C C 47 174.300 174.300 177.580 -3.280 17821
4143 1 13 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.138 -2.238 17821
4144 1 13 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.581 -3.081 17821
4145 1 13 . 1 1 47 47 GLU H H 47 9.530 9.530 8.812 0.718 17821
4146 1 13 . 1 1 48 48 HIS N N 48 117.500 117.500 115.884 1.616 17821
4147 1 13 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.821 0.049 17821
4148 1 13 . 1 1 48 48 HIS C C 48 173.300 173.300 175.326 -2.026 17821
4149 1 13 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.223 -3.123 17821
4150 1 13 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.950 -2.050 17821
4151 1 13 . 1 1 48 48 HIS H H 48 7.500 7.500 7.704 -0.204 17821
4152 1 13 . 1 1 49 49 CYS N N 49 116.100 116.100 120.631 -4.531 17821
4153 1 13 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.866 0.184 17821
4154 1 13 . 1 1 49 49 CYS C C 49 173.700 173.700 175.366 -1.666 17821
4155 1 13 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.338 -5.638 17821
4156 1 13 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.634 12.866 17821
4157 1 13 . 1 1 49 49 CYS H H 49 7.460 7.460 7.736 -0.276 17821
4158 1 13 . 1 1 50 50 GLY N N 50 112.900 112.900 110.862 2.038 17821
4159 1 13 . 1 1 50 50 GLY C C 50 172.500 172.500 175.861 -3.361 17821
4160 1 13 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.450 -2.150 17821
4161 1 13 . 1 1 50 50 GLY H H 50 9.150 9.150 8.635 0.515 17821
4162 1 13 . 1 1 51 51 HIS C C 51 175.400 175.400 176.589 -1.189 17821
4163 1 13 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.566 -2.166 17821
4164 1 13 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.837 -3.837 17821
4165 1 13 . 1 1 52 52 LEU N N 52 122.000 122.000 120.773 1.227 17821
4166 1 13 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.034 0.076 17821
4167 1 13 . 1 1 52 52 LEU C C 52 177.700 177.700 179.038 -1.338 17821
4168 1 13 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.160 -3.360 17821
4169 1 13 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.405 -1.905 17821
4170 1 13 . 1 1 52 52 LEU H H 52 6.810 6.810 8.106 -1.296 17821
4171 1 13 . 1 1 53 53 ILE N N 53 124.200 124.200 120.348 3.852 17821
4172 1 13 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.636 -0.206 17821
4173 1 13 . 1 1 53 53 ILE C C 53 176.100 176.100 178.353 -2.253 17821
4174 1 13 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.047 -2.847 17821
4175 1 13 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.931 -2.031 17821
4176 1 13 . 1 1 53 53 ILE H H 53 8.170 8.170 8.507 -0.337 17821
4177 1 13 . 1 1 54 54 GLU N N 54 120.600 120.600 120.212 0.388 17821
4178 1 13 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.939 0.091 17821
4179 1 13 . 1 1 54 54 GLU C C 54 175.400 175.400 178.641 -3.241 17821
4180 1 13 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.816 -3.716 17821
4181 1 13 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.674 -3.674 17821
4182 1 13 . 1 1 54 54 GLU H H 54 8.380 8.380 8.152 0.228 17821
4183 1 13 . 1 1 55 55 ALA N N 55 120.800 120.800 122.067 -1.267 17821
4184 1 13 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.879 0.241 17821
4185 1 13 . 1 1 55 55 ALA C C 55 177.900 177.900 178.967 -1.067 17821
4186 1 13 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.289 -3.089 17821
4187 1 13 . 1 1 55 55 ALA CB C 55 15.100 15.100 17.915 -2.815 17821
4188 1 13 . 1 1 55 55 ALA H H 55 7.880 7.880 8.295 -0.415 17821
4189 1 13 . 1 1 56 56 HIS N N 56 117.400 117.400 119.607 -2.207 17821
4190 1 13 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.158 0.142 17821
4191 1 13 . 1 1 56 56 HIS C C 56 173.500 173.500 177.283 -3.783 17821
4192 1 13 . 1 1 56 56 HIS CA C 56 57.000 57.000 60.133 -3.133 17821
4193 1 13 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.198 -1.898 17821
4194 1 13 . 1 1 56 56 HIS H H 56 7.640 7.640 8.375 -0.735 17821
4195 1 13 . 1 1 57 57 LYS N N 57 119.200 119.200 118.778 0.422 17821
4196 1 13 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.808 -0.208 17821
4197 1 13 . 1 1 57 57 LYS C C 57 176.200 176.200 178.952 -2.752 17821
4198 1 13 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.648 -2.048 17821
4199 1 13 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.059 -2.558 17821
4200 1 13 . 1 1 57 57 LYS H H 57 7.620 7.620 8.159 -0.539 17821
4201 1 13 . 1 1 58 58 GLU N N 58 118.400 118.400 120.094 -1.694 17821
4202 1 13 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.067 -0.097 17821
4203 1 13 . 1 1 58 58 GLU C C 58 176.200 176.200 179.077 -2.877 17821
4204 1 13 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.953 -2.753 17821
4205 1 13 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.375 -3.075 17821
4206 1 13 . 1 1 58 58 GLU H H 58 8.490 8.490 8.493 -0.003 17821
4207 1 13 . 1 1 59 59 SER N N 59 116.100 116.100 116.085 0.015 17821
4208 1 13 . 1 1 59 59 SER HA H 59 4.150 4.150 4.151 -0.001 17821
4209 1 13 . 1 1 59 59 SER CA C 59 58.400 58.400 61.918 -3.518 17821
4210 1 13 . 1 1 59 59 SER CB C 59 60.300 60.300 63.130 -2.830 17821
4211 1 13 . 1 1 59 59 SER H H 59 7.790 7.790 8.236 -0.446 17821
4212 1 13 . 1 1 60 60 MET N N 60 117.500 117.500 118.889 -1.389 17821
4213 1 13 . 1 1 60 60 MET HA H 60 4.170 4.170 4.114 0.056 17821
4214 1 13 . 1 1 60 60 MET C C 60 176.400 176.400 177.609 -1.209 17821
4215 1 13 . 1 1 60 60 MET CA C 60 54.400 54.400 55.238 -0.838 17821
4216 1 13 . 1 1 60 60 MET CB C 60 29.100 29.100 31.390 -2.290 17821
4217 1 13 . 1 1 60 60 MET H H 60 7.880 7.880 8.052 -0.172 17821
4218 1 13 . 1 1 61 61 ARG N N 61 121.300 121.300 121.555 -0.255 17821
4219 1 13 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.929 0.241 17821
4220 1 13 . 1 1 61 61 ARG C C 61 177.500 177.500 178.341 -0.841 17821
4221 1 13 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.343 -3.243 17821
4222 1 13 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.178 -2.678 17821
4223 1 13 . 1 1 61 61 ARG H H 61 8.290 8.290 8.133 0.157 17821
4224 1 13 . 1 1 62 62 ALA N N 62 123.200 123.200 122.142 1.058 17821
4225 1 13 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.088 -0.018 17821
4226 1 13 . 1 1 62 62 ALA C C 62 176.400 176.400 178.808 -2.408 17821
4227 1 13 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.266 -2.766 17821
4228 1 13 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.430 -3.330 17821
4229 1 13 . 1 1 62 62 ALA H H 62 7.950 7.950 7.842 0.108 17821
4230 1 13 . 1 1 63 63 LEU N N 63 117.500 117.500 116.402 1.098 17821
4231 1 13 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.216 -0.016 17821
4232 1 13 . 1 1 63 63 LEU C C 63 174.400 174.400 177.210 -2.810 17821
4233 1 13 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.256 -1.356 17821
4234 1 13 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.661 -0.862 17821
4235 1 13 . 1 1 63 63 LEU H H 63 7.450 7.450 7.469 -0.019 17821
4236 1 13 . 1 1 64 64 GLY N N 64 106.300 106.300 107.827 -1.527 17821
4237 1 13 . 1 1 64 64 GLY C C 64 171.400 171.400 175.017 -3.617 17821
4238 1 13 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.824 -3.724 17821
4239 1 13 . 1 1 64 64 GLY H H 64 7.780 7.780 7.400 0.380 17821
4240 1 13 . 1 1 65 65 PHE N N 65 119.800 119.800 115.793 4.007 17821
4241 1 13 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.958 -0.488 17821
4242 1 13 . 1 1 65 65 PHE C C 65 172.300 172.300 174.980 -2.680 17821
4243 1 13 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.941 -1.041 17821
4244 1 13 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.020 -2.120 17821
4245 1 13 . 1 1 65 65 PHE H H 65 7.840 7.840 7.552 0.288 17821
4246 1 13 . 1 1 66 66 LYS N N 66 124.000 124.000 121.203 2.797 17821
4247 1 13 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.452 -0.192 17821
4248 1 13 . 1 1 66 66 LYS C C 66 172.200 172.200 175.321 -3.121 17821
4249 1 13 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.912 -3.712 17821
4250 1 13 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.629 -4.329 17821
4251 1 13 . 1 1 66 66 LYS H H 66 8.370 8.370 8.206 0.164 17821
4252 1 14 . 1 1 4 4 THR N N 4 117.400 117.400 111.253 6.147 17821
4253 1 14 . 1 1 4 4 THR HA H 4 4.130 4.130 4.376 -0.246 17821
4254 1 14 . 1 1 4 4 THR C C 4 170.800 170.800 174.819 -4.019 17821
4255 1 14 . 1 1 4 4 THR CA C 4 58.800 58.800 62.101 -3.301 17821
4256 1 14 . 1 1 4 4 THR CB C 4 67.000 67.000 68.678 -1.678 17821
4257 1 14 . 1 1 4 4 THR H H 4 7.980 7.980 8.269 -0.289 17821
4258 1 14 . 1 1 5 5 MET N N 5 124.400 124.400 122.772 1.628 17821
4259 1 14 . 1 1 5 5 MET C C 5 171.200 171.200 174.381 -3.181 17821
4260 1 14 . 1 1 5 5 MET CA C 5 50.400 50.400 53.629 -3.228 17821
4261 1 14 . 1 1 5 5 MET CB C 5 29.600 29.600 32.078 -2.478 17821
4262 1 14 . 1 1 5 5 MET H H 5 8.250 8.250 7.425 0.825 17821
4263 1 14 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.318 -0.038 17821
4264 1 14 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.809 -3.309 17821
4265 1 14 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.714 -2.514 17821
4266 1 14 . 1 1 7 7 GLY N N 7 109.000 109.000 111.749 -2.749 17821
4267 1 14 . 1 1 7 7 GLY C C 7 171.200 171.200 174.548 -3.348 17821
4268 1 14 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.829 -2.429 17821
4269 1 14 . 1 1 7 7 GLY H H 7 8.360 8.360 8.607 -0.247 17821
4270 1 14 . 1 1 8 8 LEU N N 8 121.700 121.700 123.579 -1.879 17821
4271 1 14 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.515 -0.255 17821
4272 1 14 . 1 1 8 8 LEU C C 8 174.600 174.600 176.279 -1.679 17821
4273 1 14 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.795 -2.495 17821
4274 1 14 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.076 -0.676 17821
4275 1 14 . 1 1 8 8 LEU H H 8 7.920 7.920 8.256 -0.336 17821
4276 1 14 . 1 1 9 9 VAL N N 9 120.900 120.900 125.406 -4.506 17821
4277 1 14 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.195 -0.215 17821
4278 1 14 . 1 1 9 9 VAL C C 9 172.900 172.900 175.650 -2.750 17821
4279 1 14 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.740 -2.340 17821
4280 1 14 . 1 1 9 9 VAL CB C 9 30.000 30.000 31.887 -1.887 17821
4281 1 14 . 1 1 9 9 VAL H H 9 8.050 8.050 7.882 0.168 17821
4282 1 14 . 1 1 10 10 ASP N N 10 124.300 124.300 128.228 -3.928 17821
4283 1 14 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.624 -0.154 17821
4284 1 14 . 1 1 10 10 ASP C C 10 173.100 173.100 175.749 -2.649 17821
4285 1 14 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.470 -1.970 17821
4286 1 14 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.327 -2.027 17821
4287 1 14 . 1 1 10 10 ASP H H 10 8.300 8.300 8.713 -0.413 17821
4288 1 14 . 1 1 11 11 SER N N 11 116.400 116.400 117.132 -0.732 17821
4289 1 14 . 1 1 11 11 SER HA H 11 4.290 4.290 4.419 -0.129 17821
4290 1 14 . 1 1 11 11 SER C C 11 171.200 171.200 174.230 -3.030 17821
4291 1 14 . 1 1 11 11 SER CA C 11 55.500 55.500 59.052 -3.552 17821
4292 1 14 . 1 1 11 11 SER CB C 11 60.900 60.900 63.632 -2.732 17821
4293 1 14 . 1 1 11 11 SER H H 11 8.130 8.130 8.075 0.055 17821
4294 1 14 . 1 1 12 12 ASN N N 12 121.600 121.600 123.049 -1.449 17821
4295 1 14 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.054 -0.824 17821
4296 1 14 . 1 1 12 12 ASN C C 12 170.000 170.000 173.243 -3.243 17821
4297 1 14 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.886 4.614 17821
4298 1 14 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.941 -3.941 17821
4299 1 14 . 1 1 12 12 ASN H H 12 8.360 8.360 8.523 -0.163 17821
4300 1 14 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.647 -0.357 17821
4301 1 14 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.924 -2.624 17821
4302 1 14 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.709 -3.509 17821
4303 1 14 . 1 1 14 14 ALA N N 14 125.700 125.700 119.983 5.717 17821
4304 1 14 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.180 0.230 17821
4305 1 14 . 1 1 14 14 ALA C C 14 172.200 172.200 176.204 -4.004 17821
4306 1 14 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.899 -4.399 17821
4307 1 14 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.361 -2.261 17821
4308 1 14 . 1 1 14 14 ALA H H 14 8.260 8.260 8.298 -0.038 17821
4309 1 14 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.433 -0.153 17821
4310 1 14 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.850 -2.350 17821
4311 1 14 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.202 -3.002 17821
4312 1 14 . 1 1 17 17 GLU N N 17 120.600 120.600 118.354 2.246 17821
4313 1 14 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.057 0.063 17821
4314 1 14 . 1 1 17 17 GLU C C 17 173.900 173.900 176.114 -2.214 17821
4315 1 14 . 1 1 17 17 GLU CA C 17 54.100 54.100 57.404 -3.304 17821
4316 1 14 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.796 -2.696 17821
4317 1 14 . 1 1 17 17 GLU H H 17 8.550 8.550 8.565 -0.015 17821
4318 1 14 . 1 1 18 18 SER N N 18 116.400 116.400 115.835 0.565 17821
4319 1 14 . 1 1 18 18 SER HA H 18 4.310 4.310 4.456 -0.146 17821
4320 1 14 . 1 1 18 18 SER C C 18 171.900 171.900 174.055 -2.155 17821
4321 1 14 . 1 1 18 18 SER CA C 18 55.600 55.600 57.713 -2.113 17821
4322 1 14 . 1 1 18 18 SER CB C 18 60.800 60.800 63.985 -3.185 17821
4323 1 14 . 1 1 18 18 SER H H 18 8.240 8.240 7.596 0.644 17821
4324 1 14 . 1 1 19 19 GLN N N 19 122.300 122.300 121.393 0.907 17821
4325 1 14 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.315 -0.115 17821
4326 1 14 . 1 1 19 19 GLN C C 19 173.100 173.100 176.198 -3.098 17821
4327 1 14 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.887 -2.887 17821
4328 1 14 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.732 -2.232 17821
4329 1 14 . 1 1 19 19 GLN H H 19 8.310 8.310 8.402 -0.092 17821
4330 1 14 . 1 1 20 20 GLU N N 20 121.600 121.600 123.090 -1.490 17821
4331 1 14 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.169 0.121 17821
4332 1 14 . 1 1 20 20 GLU C C 20 173.500 173.500 176.869 -3.369 17821
4333 1 14 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.463 -2.563 17821
4334 1 14 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.482 -3.082 17821
4335 1 14 . 1 1 20 20 GLU H H 20 8.240 8.240 8.492 -0.252 17821
4336 1 14 . 1 1 21 21 LYS N N 21 122.900 122.900 124.313 -1.413 17821
4337 1 14 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.160 0.020 17821
4338 1 14 . 1 1 21 21 LYS C C 21 173.400 173.400 176.864 -3.464 17821
4339 1 14 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.626 -3.326 17821
4340 1 14 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.476 -2.676 17821
4341 1 14 . 1 1 21 21 LYS H H 21 8.260 8.260 8.484 -0.224 17821
4342 1 14 . 1 1 22 22 LYS N N 22 124.000 124.000 125.736 -1.736 17821
4343 1 14 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.388 0.062 17821
4344 1 14 . 1 1 22 22 LYS C C 22 171.500 171.500 175.689 -4.189 17821
4345 1 14 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.973 -3.773 17821
4346 1 14 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.406 -1.906 17821
4347 1 14 . 1 1 22 22 LYS H H 22 8.220 8.220 8.342 -0.122 17821
4348 1 14 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.315 -0.025 17821
4349 1 14 . 1 1 23 23 PRO CA C 23 60.100 60.100 63.014 -2.914 17821
4350 1 14 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.421 -3.221 17821
4351 1 14 . 1 1 24 24 LEU N N 24 122.700 122.700 120.567 2.133 17821
4352 1 14 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.705 -0.545 17821
4353 1 14 . 1 1 24 24 LEU C C 24 174.400 174.400 175.683 -1.283 17821
4354 1 14 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.352 -1.952 17821
4355 1 14 . 1 1 24 24 LEU CB C 24 39.600 39.600 44.462 -4.862 17821
4356 1 14 . 1 1 24 24 LEU H H 24 8.270 8.270 8.103 0.167 17821
4357 1 14 . 1 1 25 25 LYS N N 25 123.400 123.400 122.797 0.603 17821
4358 1 14 . 1 1 25 25 LYS C C 25 171.600 171.600 174.554 -2.954 17821
4359 1 14 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.919 -3.019 17821
4360 1 14 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.820 -3.020 17821
4361 1 14 . 1 1 25 25 LYS H H 25 8.180 8.180 8.326 -0.146 17821
4362 1 14 . 1 1 28 28 CYS CA C 28 46.000 46.000 57.537 -11.537 17821
4363 1 14 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.442 4.559 17821
4364 1 14 . 1 1 29 29 ALA N N 29 123.800 123.800 121.557 2.243 17821
4365 1 14 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.656 -0.506 17821
4366 1 14 . 1 1 29 29 ALA C C 29 173.200 173.200 176.096 -2.896 17821
4367 1 14 . 1 1 29 29 ALA CA C 29 49.700 49.700 50.950 -1.250 17821
4368 1 14 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.195 -3.595 17821
4369 1 14 . 1 1 29 29 ALA H H 29 8.050 8.050 7.272 0.778 17821
4370 1 14 . 1 1 30 30 SER N N 30 112.800 112.800 116.315 -3.515 17821
4371 1 14 . 1 1 30 30 SER HA H 30 4.580 4.580 5.054 -0.474 17821
4372 1 14 . 1 1 30 30 SER C C 30 173.300 173.300 173.945 -0.645 17821
4373 1 14 . 1 1 30 30 SER CA C 30 52.600 52.600 55.121 -2.522 17821
4374 1 14 . 1 1 30 30 SER CB C 30 59.400 59.400 63.279 -3.880 17821
4375 1 14 . 1 1 30 30 SER H H 30 8.270 8.270 8.750 -0.480 17821
4376 1 14 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.107 0.053 17821
4377 1 14 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.144 -3.344 17821
4378 1 14 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.815 -2.515 17821
4379 1 14 . 1 1 32 32 GLU N N 32 119.100 119.100 117.278 1.822 17821
4380 1 14 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.039 0.021 17821
4381 1 14 . 1 1 32 32 GLU C C 32 177.300 177.300 178.390 -1.090 17821
4382 1 14 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.372 -2.472 17821
4383 1 14 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.156 -2.156 17821
4384 1 14 . 1 1 32 32 GLU H H 32 8.720 8.720 8.928 -0.208 17821
4385 1 14 . 1 1 33 33 THR N N 33 110.800 110.800 112.515 -1.715 17821
4386 1 14 . 1 1 33 33 THR HA H 33 4.040 4.040 4.188 -0.148 17821
4387 1 14 . 1 1 33 33 THR C C 33 176.000 176.000 176.356 -0.356 17821
4388 1 14 . 1 1 33 33 THR CA C 33 61.700 61.700 65.260 -3.560 17821
4389 1 14 . 1 1 33 33 THR CB C 33 64.100 64.100 68.762 -4.662 17821
4390 1 14 . 1 1 33 33 THR H H 33 7.620 7.620 7.779 -0.159 17821
4391 1 14 . 1 1 34 34 LYS N N 34 127.100 127.100 122.818 4.282 17821
4392 1 14 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.751 -0.831 17821
4393 1 14 . 1 1 34 34 LYS C C 34 174.300 174.300 178.379 -4.079 17821
4394 1 14 . 1 1 34 34 LYS CA C 34 57.300 57.300 60.032 -2.732 17821
4395 1 14 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.145 -2.145 17821
4396 1 14 . 1 1 34 34 LYS H H 34 7.740 7.740 7.683 0.057 17821
4397 1 14 . 1 1 35 35 LYS N N 35 118.500 118.500 118.508 -0.008 17821
4398 1 14 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.091 -0.201 17821
4399 1 14 . 1 1 35 35 LYS C C 35 176.500 176.500 178.931 -2.431 17821
4400 1 14 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.918 -2.218 17821
4401 1 14 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.938 -2.438 17821
4402 1 14 . 1 1 35 35 LYS H H 35 7.880 7.880 8.336 -0.456 17821
4403 1 14 . 1 1 36 36 ALA N N 36 120.100 120.100 122.533 -2.433 17821
4404 1 14 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.097 -0.057 17821
4405 1 14 . 1 1 36 36 ALA C C 36 177.600 177.600 179.795 -2.195 17821
4406 1 14 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.057 -3.057 17821
4407 1 14 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.255 -2.854 17821
4408 1 14 . 1 1 36 36 ALA H H 36 7.490 7.490 7.986 -0.496 17821
4409 1 14 . 1 1 37 37 ARG N N 37 118.500 118.500 118.948 -0.448 17821
4410 1 14 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.976 -0.356 17821
4411 1 14 . 1 1 37 37 ARG C C 37 174.100 174.100 178.561 -4.461 17821
4412 1 14 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.132 -2.532 17821
4413 1 14 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.570 -2.470 17821
4414 1 14 . 1 1 37 37 ARG H H 37 7.630 7.630 8.219 -0.589 17821
4415 1 14 . 1 1 38 38 ASP N N 38 120.200 120.200 119.229 0.971 17821
4416 1 14 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.401 -0.131 17821
4417 1 14 . 1 1 38 38 ASP C C 38 175.500 175.500 178.566 -3.066 17821
4418 1 14 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.214 -2.514 17821
4419 1 14 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.267 -4.067 17821
4420 1 14 . 1 1 38 38 ASP H H 38 8.680 8.680 8.326 0.354 17821
4421 1 14 . 1 1 39 39 ALA N N 39 121.100 121.100 122.209 -1.109 17821
4422 1 14 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.135 -0.125 17821
4423 1 14 . 1 1 39 39 ALA C C 39 176.800 176.800 179.776 -2.976 17821
4424 1 14 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.164 -3.064 17821
4425 1 14 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.305 -3.105 17821
4426 1 14 . 1 1 39 39 ALA H H 39 8.040 8.040 8.158 -0.118 17821
4427 1 14 . 1 1 40 40 CYS N N 40 117.600 117.600 118.048 -0.448 17821
4428 1 14 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.259 -0.079 17821
4429 1 14 . 1 1 40 40 CYS C C 40 173.800 173.800 176.699 -2.899 17821
4430 1 14 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.619 -4.719 17821
4431 1 14 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.059 10.341 17821
4432 1 14 . 1 1 40 40 CYS H H 40 7.340 7.340 8.041 -0.701 17821
4433 1 14 . 1 1 41 41 ILE N N 41 121.500 121.500 121.298 0.202 17821
4434 1 14 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.967 -0.917 17821
4435 1 14 . 1 1 41 41 ILE C C 41 176.100 176.100 178.396 -2.296 17821
4436 1 14 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.143 -0.743 17821
4437 1 14 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.877 -2.577 17821
4438 1 14 . 1 1 41 41 ILE H H 41 8.230 8.230 8.429 -0.199 17821
4439 1 14 . 1 1 42 42 ILE N N 42 119.200 119.200 119.240 -0.040 17821
4440 1 14 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.657 0.033 17821
4441 1 14 . 1 1 42 42 ILE C C 42 174.200 174.200 177.749 -3.549 17821
4442 1 14 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.579 -3.279 17821
4443 1 14 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.970 -2.170 17821
4444 1 14 . 1 1 42 42 ILE H H 42 7.770 7.770 8.180 -0.410 17821
4445 1 14 . 1 1 43 43 GLU N N 43 118.700 118.700 118.806 -0.106 17821
4446 1 14 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.165 -0.115 17821
4447 1 14 . 1 1 43 43 GLU C C 43 175.300 175.300 177.648 -2.348 17821
4448 1 14 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.754 -2.454 17821
4449 1 14 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.053 -1.853 17821
4450 1 14 . 1 1 43 43 GLU H H 43 7.600 7.600 7.923 -0.323 17821
4451 1 14 . 1 1 44 44 LYS N N 44 114.600 114.600 115.811 -1.211 17821
4452 1 14 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.504 -0.054 17821
4453 1 14 . 1 1 44 44 LYS C C 44 174.500 174.500 176.376 -1.876 17821
4454 1 14 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.600 -2.800 17821
4455 1 14 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.372 -2.672 17821
4456 1 14 . 1 1 44 44 LYS H H 44 8.860 8.860 8.523 0.337 17821
4457 1 14 . 1 1 45 45 GLY N N 45 108.700 108.700 107.266 1.434 17821
4458 1 14 . 1 1 45 45 GLY C C 45 171.000 171.000 174.689 -3.689 17821
4459 1 14 . 1 1 45 45 GLY CA C 45 41.300 41.300 45.200 -3.900 17821
4460 1 14 . 1 1 45 45 GLY H H 45 7.690 7.690 7.476 0.214 17821
4461 1 14 . 1 1 46 46 GLU N N 46 120.800 120.800 121.351 -0.551 17821
4462 1 14 . 1 1 46 46 GLU HA H 46 3.440 3.440 4.205 -0.765 17821
4463 1 14 . 1 1 46 46 GLU C C 46 175.800 175.800 176.167 -0.367 17821
4464 1 14 . 1 1 46 46 GLU CA C 46 58.300 58.300 58.229 0.071 17821
4465 1 14 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.584 -2.484 17821
4466 1 14 . 1 1 46 46 GLU H H 46 8.900 8.900 8.799 0.101 17821
4467 1 14 . 1 1 47 47 GLU N N 47 118.700 118.700 117.978 0.722 17821
4468 1 14 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.265 -0.325 17821
4469 1 14 . 1 1 47 47 GLU C C 47 174.300 174.300 175.390 -1.090 17821
4470 1 14 . 1 1 47 47 GLU CA C 47 55.900 55.900 55.292 0.608 17821
4471 1 14 . 1 1 47 47 GLU CB C 47 25.500 25.500 30.265 -4.765 17821
4472 1 14 . 1 1 47 47 GLU H H 47 9.530 9.530 7.875 1.655 17821
4473 1 14 . 1 1 48 48 HIS N N 48 117.500 117.500 113.983 3.517 17821
4474 1 14 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.296 0.574 17821
4475 1 14 . 1 1 48 48 HIS C C 48 173.300 173.300 174.685 -1.385 17821
4476 1 14 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.748 -3.648 17821
4477 1 14 . 1 1 48 48 HIS CB C 48 28.900 28.900 27.952 0.948 17821
4478 1 14 . 1 1 48 48 HIS H H 48 7.500 7.500 8.458 -0.958 17821
4479 1 14 . 1 1 49 49 CYS N N 49 116.100 116.100 117.103 -1.003 17821
4480 1 14 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.997 0.053 17821
4481 1 14 . 1 1 49 49 CYS C C 49 173.700 173.700 176.469 -2.769 17821
4482 1 14 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.002 -6.302 17821
4483 1 14 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.266 13.234 17821
4484 1 14 . 1 1 49 49 CYS H H 49 7.460 7.460 8.631 -1.171 17821
4485 1 14 . 1 1 50 50 GLY N N 50 112.900 112.900 109.547 3.353 17821
4486 1 14 . 1 1 50 50 GLY C C 50 172.500 172.500 175.706 -3.206 17821
4487 1 14 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.328 -2.028 17821
4488 1 14 . 1 1 50 50 GLY H H 50 9.150 9.150 8.673 0.477 17821
4489 1 14 . 1 1 51 51 HIS C C 51 175.400 175.400 177.136 -1.736 17821
4490 1 14 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.814 -2.414 17821
4491 1 14 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.658 -3.658 17821
4492 1 14 . 1 1 52 52 LEU N N 52 122.000 122.000 120.935 1.065 17821
4493 1 14 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.272 -0.162 17821
4494 1 14 . 1 1 52 52 LEU C C 52 177.700 177.700 179.072 -1.372 17821
4495 1 14 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.153 -3.353 17821
4496 1 14 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.339 -1.839 17821
4497 1 14 . 1 1 52 52 LEU H H 52 6.810 6.810 7.958 -1.148 17821
4498 1 14 . 1 1 53 53 ILE N N 53 124.200 124.200 121.210 2.990 17821
4499 1 14 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.756 -0.326 17821
4500 1 14 . 1 1 53 53 ILE C C 53 176.100 176.100 178.508 -2.408 17821
4501 1 14 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.937 -2.737 17821
4502 1 14 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.994 -2.094 17821
4503 1 14 . 1 1 53 53 ILE H H 53 8.170 8.170 8.332 -0.162 17821
4504 1 14 . 1 1 54 54 GLU N N 54 120.600 120.600 120.546 0.054 17821
4505 1 14 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.948 0.082 17821
4506 1 14 . 1 1 54 54 GLU C C 54 175.400 175.400 178.626 -3.226 17821
4507 1 14 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.949 -3.849 17821
4508 1 14 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.636 -3.636 17821
4509 1 14 . 1 1 54 54 GLU H H 54 8.380 8.380 8.475 -0.095 17821
4510 1 14 . 1 1 55 55 ALA N N 55 120.800 120.800 122.266 -1.466 17821
4511 1 14 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.094 0.026 17821
4512 1 14 . 1 1 55 55 ALA C C 55 177.900 177.900 179.330 -1.430 17821
4513 1 14 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.078 -2.878 17821
4514 1 14 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.310 -3.210 17821
4515 1 14 . 1 1 55 55 ALA H H 55 7.880 7.880 8.048 -0.168 17821
4516 1 14 . 1 1 56 56 HIS N N 56 117.400 117.400 118.614 -1.214 17821
4517 1 14 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.298 0.002 17821
4518 1 14 . 1 1 56 56 HIS C C 56 173.500 173.500 177.383 -3.883 17821
4519 1 14 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.106 -2.106 17821
4520 1 14 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.287 -1.987 17821
4521 1 14 . 1 1 56 56 HIS H H 56 7.640 7.640 8.541 -0.901 17821
4522 1 14 . 1 1 57 57 LYS N N 57 119.200 119.200 119.191 0.009 17821
4523 1 14 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.885 -0.285 17821
4524 1 14 . 1 1 57 57 LYS C C 57 176.200 176.200 178.938 -2.738 17821
4525 1 14 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.481 -1.881 17821
4526 1 14 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.036 -2.536 17821
4527 1 14 . 1 1 57 57 LYS H H 57 7.620 7.620 8.357 -0.737 17821
4528 1 14 . 1 1 58 58 GLU N N 58 118.400 118.400 120.573 -2.173 17821
4529 1 14 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.038 -0.068 17821
4530 1 14 . 1 1 58 58 GLU C C 58 176.200 176.200 179.070 -2.870 17821
4531 1 14 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.127 -2.927 17821
4532 1 14 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.359 -3.059 17821
4533 1 14 . 1 1 58 58 GLU H H 58 8.490 8.490 8.490 -0.000 17821
4534 1 14 . 1 1 59 59 SER N N 59 116.100 116.100 115.489 0.611 17821
4535 1 14 . 1 1 59 59 SER HA H 59 4.150 4.150 4.229 -0.079 17821
4536 1 14 . 1 1 59 59 SER CA C 59 58.400 58.400 61.642 -3.242 17821
4537 1 14 . 1 1 59 59 SER CB C 59 60.300 60.300 63.149 -2.849 17821
4538 1 14 . 1 1 59 59 SER H H 59 7.790 7.790 8.227 -0.437 17821
4539 1 14 . 1 1 60 60 MET N N 60 117.500 117.500 116.979 0.521 17821
4540 1 14 . 1 1 60 60 MET HA H 60 4.170 4.170 4.322 -0.152 17821
4541 1 14 . 1 1 60 60 MET C C 60 176.400 176.400 178.117 -1.717 17821
4542 1 14 . 1 1 60 60 MET CA C 60 54.400 54.400 54.925 -0.525 17821
4543 1 14 . 1 1 60 60 MET CB C 60 29.100 29.100 31.848 -2.748 17821
4544 1 14 . 1 1 60 60 MET H H 60 7.880 7.880 7.938 -0.058 17821
4545 1 14 . 1 1 61 61 ARG N N 61 121.300 121.300 122.044 -0.744 17821
4546 1 14 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.958 0.212 17821
4547 1 14 . 1 1 61 61 ARG C C 61 177.500 177.500 178.467 -0.967 17821
4548 1 14 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.361 -3.261 17821
4549 1 14 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.172 -2.672 17821
4550 1 14 . 1 1 61 61 ARG H H 61 8.290 8.290 8.441 -0.151 17821
4551 1 14 . 1 1 62 62 ALA N N 62 123.200 123.200 122.732 0.468 17821
4552 1 14 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.117 -0.047 17821
4553 1 14 . 1 1 62 62 ALA C C 62 176.400 176.400 178.224 -1.824 17821
4554 1 14 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.293 -2.793 17821
4555 1 14 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.517 -3.417 17821
4556 1 14 . 1 1 62 62 ALA H H 62 7.950 7.950 8.046 -0.096 17821
4557 1 14 . 1 1 63 63 LEU N N 63 117.500 117.500 117.095 0.405 17821
4558 1 14 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.319 -0.119 17821
4559 1 14 . 1 1 63 63 LEU C C 63 174.400 174.400 177.272 -2.872 17821
4560 1 14 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.820 -0.920 17821
4561 1 14 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.551 -0.751 17821
4562 1 14 . 1 1 63 63 LEU H H 63 7.450 7.450 7.470 -0.020 17821
4563 1 14 . 1 1 64 64 GLY N N 64 106.300 106.300 108.582 -2.282 17821
4564 1 14 . 1 1 64 64 GLY C C 64 171.400 171.400 175.434 -4.034 17821
4565 1 14 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.358 -4.258 17821
4566 1 14 . 1 1 64 64 GLY H H 64 7.780 7.780 7.889 -0.109 17821
4567 1 14 . 1 1 65 65 PHE N N 65 119.800 119.800 116.987 2.813 17821
4568 1 14 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.850 -0.380 17821
4569 1 14 . 1 1 65 65 PHE C C 65 172.300 172.300 175.757 -3.457 17821
4570 1 14 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.099 -1.199 17821
4571 1 14 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.445 -1.545 17821
4572 1 14 . 1 1 65 65 PHE H H 65 7.840 7.840 7.395 0.445 17821
4573 1 14 . 1 1 66 66 LYS N N 66 124.000 124.000 121.116 2.884 17821
4574 1 14 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.430 -0.170 17821
4575 1 14 . 1 1 66 66 LYS C C 66 172.200 172.200 176.036 -3.836 17821
4576 1 14 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.946 -3.746 17821
4577 1 14 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.642 -4.342 17821
4578 1 14 . 1 1 66 66 LYS H H 66 8.370 8.370 7.928 0.442 17821
4579 1 15 . 1 1 4 4 THR N N 4 117.400 117.400 117.513 -0.113 17821
4580 1 15 . 1 1 4 4 THR HA H 4 4.130 4.130 4.351 -0.221 17821
4581 1 15 . 1 1 4 4 THR C C 4 170.800 170.800 172.693 -1.893 17821
4582 1 15 . 1 1 4 4 THR CA C 4 58.800 58.800 59.810 -1.010 17821
4583 1 15 . 1 1 4 4 THR CB C 4 67.000 67.000 71.846 -4.846 17821
4584 1 15 . 1 1 4 4 THR H H 4 7.980 7.980 7.323 0.657 17821
4585 1 15 . 1 1 5 5 MET N N 5 124.400 124.400 121.153 3.247 17821
4586 1 15 . 1 1 5 5 MET C C 5 171.200 171.200 175.157 -3.957 17821
4587 1 15 . 1 1 5 5 MET CA C 5 50.400 50.400 55.031 -4.631 17821
4588 1 15 . 1 1 5 5 MET CB C 5 29.600 29.600 32.850 -3.250 17821
4589 1 15 . 1 1 5 5 MET H H 5 8.250 8.250 8.368 -0.118 17821
4590 1 15 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.326 -0.046 17821
4591 1 15 . 1 1 6 6 PRO CA C 6 60.500 60.500 64.158 -3.658 17821
4592 1 15 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.729 -2.529 17821
4593 1 15 . 1 1 7 7 GLY N N 7 109.000 109.000 111.963 -2.963 17821
4594 1 15 . 1 1 7 7 GLY C C 7 171.200 171.200 174.817 -3.617 17821
4595 1 15 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.295 -2.895 17821
4596 1 15 . 1 1 7 7 GLY H H 7 8.360 8.360 8.630 -0.270 17821
4597 1 15 . 1 1 8 8 LEU N N 8 121.700 121.700 123.429 -1.729 17821
4598 1 15 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.467 -0.207 17821
4599 1 15 . 1 1 8 8 LEU C C 8 174.600 174.600 176.188 -1.588 17821
4600 1 15 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.576 -2.276 17821
4601 1 15 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.672 -0.272 17821
4602 1 15 . 1 1 8 8 LEU H H 8 7.920 7.920 7.669 0.251 17821
4603 1 15 . 1 1 9 9 VAL N N 9 120.900 120.900 125.285 -4.385 17821
4604 1 15 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.208 -0.228 17821
4605 1 15 . 1 1 9 9 VAL C C 9 172.900 172.900 175.692 -2.792 17821
4606 1 15 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.229 -1.829 17821
4607 1 15 . 1 1 9 9 VAL CB C 9 30.000 30.000 31.498 -1.498 17821
4608 1 15 . 1 1 9 9 VAL H H 9 8.050 8.050 7.760 0.290 17821
4609 1 15 . 1 1 10 10 ASP N N 10 124.300 124.300 126.722 -2.422 17821
4610 1 15 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.661 -0.191 17821
4611 1 15 . 1 1 10 10 ASP C C 10 173.100 173.100 176.308 -3.208 17821
4612 1 15 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.679 -2.179 17821
4613 1 15 . 1 1 10 10 ASP CB C 10 38.300 38.300 39.471 -1.171 17821
4614 1 15 . 1 1 10 10 ASP H H 10 8.300 8.300 8.821 -0.521 17821
4615 1 15 . 1 1 11 11 SER N N 11 116.400 116.400 115.806 0.594 17821
4616 1 15 . 1 1 11 11 SER HA H 11 4.290 4.290 4.438 -0.148 17821
4617 1 15 . 1 1 11 11 SER C C 11 171.200 171.200 175.116 -3.916 17821
4618 1 15 . 1 1 11 11 SER CA C 11 55.500 55.500 58.752 -3.252 17821
4619 1 15 . 1 1 11 11 SER CB C 11 60.900 60.900 63.888 -2.988 17821
4620 1 15 . 1 1 11 11 SER H H 11 8.130 8.130 7.914 0.216 17821
4621 1 15 . 1 1 12 12 ASN N N 12 121.600 121.600 120.766 0.834 17821
4622 1 15 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.099 -0.869 17821
4623 1 15 . 1 1 12 12 ASN C C 12 170.000 170.000 173.024 -3.024 17821
4624 1 15 . 1 1 12 12 ASN CA C 12 56.500 56.500 50.306 6.194 17821
4625 1 15 . 1 1 12 12 ASN CB C 12 36.000 36.000 40.071 -4.071 17821
4626 1 15 . 1 1 12 12 ASN H H 12 8.360 8.360 7.915 0.445 17821
4627 1 15 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.472 -0.182 17821
4628 1 15 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.831 -2.531 17821
4629 1 15 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.525 -3.325 17821
4630 1 15 . 1 1 14 14 ALA N N 14 125.700 125.700 121.582 4.118 17821
4631 1 15 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.124 0.286 17821
4632 1 15 . 1 1 14 14 ALA C C 14 172.200 172.200 176.115 -3.915 17821
4633 1 15 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.888 -4.388 17821
4634 1 15 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.435 -2.335 17821
4635 1 15 . 1 1 14 14 ALA H H 14 8.260 8.260 8.358 -0.098 17821
4636 1 15 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.635 -0.355 17821
4637 1 15 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.922 -2.422 17821
4638 1 15 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.873 -3.673 17821
4639 1 15 . 1 1 17 17 GLU N N 17 120.600 120.600 121.611 -1.011 17821
4640 1 15 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.577 -0.457 17821
4641 1 15 . 1 1 17 17 GLU C C 17 173.900 173.900 175.003 -1.103 17821
4642 1 15 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.534 -1.434 17821
4643 1 15 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.183 -4.083 17821
4644 1 15 . 1 1 17 17 GLU H H 17 8.550 8.550 8.670 -0.120 17821
4645 1 15 . 1 1 18 18 SER N N 18 116.400 116.400 115.504 0.896 17821
4646 1 15 . 1 1 18 18 SER HA H 18 4.310 4.310 4.565 -0.255 17821
4647 1 15 . 1 1 18 18 SER C C 18 171.900 171.900 175.186 -3.286 17821
4648 1 15 . 1 1 18 18 SER CA C 18 55.600 55.600 57.843 -2.243 17821
4649 1 15 . 1 1 18 18 SER CB C 18 60.800 60.800 64.342 -3.542 17821
4650 1 15 . 1 1 18 18 SER H H 18 8.240 8.240 8.518 -0.278 17821
4651 1 15 . 1 1 19 19 GLN N N 19 122.300 122.300 119.180 3.120 17821
4652 1 15 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.432 -0.232 17821
4653 1 15 . 1 1 19 19 GLN C C 19 173.100 173.100 174.953 -1.853 17821
4654 1 15 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.771 -2.771 17821
4655 1 15 . 1 1 19 19 GLN CB C 19 26.500 26.500 27.888 -1.388 17821
4656 1 15 . 1 1 19 19 GLN H H 19 8.310 8.310 8.544 -0.234 17821
4657 1 15 . 1 1 20 20 GLU N N 20 121.600 121.600 119.116 2.484 17821
4658 1 15 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.524 -0.234 17821
4659 1 15 . 1 1 20 20 GLU C C 20 173.500 173.500 175.043 -1.543 17821
4660 1 15 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.580 -1.680 17821
4661 1 15 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.765 -4.365 17821
4662 1 15 . 1 1 20 20 GLU H H 20 8.240 8.240 7.638 0.602 17821
4663 1 15 . 1 1 21 21 LYS N N 21 122.900 122.900 121.940 0.960 17821
4664 1 15 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.251 -0.071 17821
4665 1 15 . 1 1 21 21 LYS C C 21 173.400 173.400 176.407 -3.007 17821
4666 1 15 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.698 -3.398 17821
4667 1 15 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.559 -2.759 17821
4668 1 15 . 1 1 21 21 LYS H H 21 8.260 8.260 8.345 -0.085 17821
4669 1 15 . 1 1 22 22 LYS N N 22 124.000 124.000 125.000 -1.000 17821
4670 1 15 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.708 -0.258 17821
4671 1 15 . 1 1 22 22 LYS C C 22 171.500 171.500 174.569 -3.069 17821
4672 1 15 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.605 -2.405 17821
4673 1 15 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.473 -2.973 17821
4674 1 15 . 1 1 22 22 LYS H H 22 8.220 8.220 8.398 -0.178 17821
4675 1 15 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.448 -0.158 17821
4676 1 15 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.705 -2.604 17821
4677 1 15 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.362 -3.162 17821
4678 1 15 . 1 1 24 24 LEU N N 24 122.700 122.700 124.931 -2.231 17821
4679 1 15 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.413 -0.253 17821
4680 1 15 . 1 1 24 24 LEU C C 24 174.400 174.400 176.319 -1.919 17821
4681 1 15 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.957 -2.557 17821
4682 1 15 . 1 1 24 24 LEU CB C 24 39.600 39.600 41.975 -2.375 17821
4683 1 15 . 1 1 24 24 LEU H H 24 8.270 8.270 8.411 -0.141 17821
4684 1 15 . 1 1 25 25 LYS N N 25 123.400 123.400 127.054 -3.654 17821
4685 1 15 . 1 1 25 25 LYS C C 25 171.600 171.600 174.183 -2.583 17821
4686 1 15 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.705 -2.805 17821
4687 1 15 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.767 -3.966 17821
4688 1 15 . 1 1 25 25 LYS H H 25 8.180 8.180 8.361 -0.181 17821
4689 1 15 . 1 1 28 28 CYS CA C 28 46.000 46.000 58.461 -12.461 17821
4690 1 15 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.554 2.446 17821
4691 1 15 . 1 1 29 29 ALA N N 29 123.800 123.800 123.020 0.780 17821
4692 1 15 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.630 -0.480 17821
4693 1 15 . 1 1 29 29 ALA C C 29 173.200 173.200 175.297 -2.097 17821
4694 1 15 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.765 -2.065 17821
4695 1 15 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.228 -3.628 17821
4696 1 15 . 1 1 29 29 ALA H H 29 8.050 8.050 7.596 0.454 17821
4697 1 15 . 1 1 30 30 SER N N 30 112.800 112.800 112.808 -0.008 17821
4698 1 15 . 1 1 30 30 SER HA H 30 4.580 4.580 5.014 -0.434 17821
4699 1 15 . 1 1 30 30 SER C C 30 173.300 173.300 173.732 -0.432 17821
4700 1 15 . 1 1 30 30 SER CA C 30 52.600 52.600 56.190 -3.590 17821
4701 1 15 . 1 1 30 30 SER CB C 30 59.400 59.400 62.807 -3.407 17821
4702 1 15 . 1 1 30 30 SER H H 30 8.270 8.270 8.811 -0.541 17821
4703 1 15 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.224 -0.064 17821
4704 1 15 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.291 -3.491 17821
4705 1 15 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.686 -2.385 17821
4706 1 15 . 1 1 32 32 GLU N N 32 119.100 119.100 116.691 2.409 17821
4707 1 15 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.069 -0.009 17821
4708 1 15 . 1 1 32 32 GLU C C 32 177.300 177.300 178.876 -1.576 17821
4709 1 15 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.450 -2.550 17821
4710 1 15 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.716 -2.716 17821
4711 1 15 . 1 1 32 32 GLU H H 32 8.720 8.720 9.049 -0.329 17821
4712 1 15 . 1 1 33 33 THR N N 33 110.800 110.800 111.705 -0.905 17821
4713 1 15 . 1 1 33 33 THR HA H 33 4.040 4.040 4.190 -0.150 17821
4714 1 15 . 1 1 33 33 THR C C 33 176.000 176.000 176.658 -0.658 17821
4715 1 15 . 1 1 33 33 THR CA C 33 61.700 61.700 65.633 -3.933 17821
4716 1 15 . 1 1 33 33 THR CB C 33 64.100 64.100 69.266 -5.165 17821
4717 1 15 . 1 1 33 33 THR H H 33 7.620 7.620 8.305 -0.685 17821
4718 1 15 . 1 1 34 34 LYS N N 34 127.100 127.100 121.156 5.944 17821
4719 1 15 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.044 -1.124 17821
4720 1 15 . 1 1 34 34 LYS C C 34 174.300 174.300 178.820 -4.520 17821
4721 1 15 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.260 -1.960 17821
4722 1 15 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.040 -2.040 17821
4723 1 15 . 1 1 34 34 LYS H H 34 7.740 7.740 7.632 0.108 17821
4724 1 15 . 1 1 35 35 LYS N N 35 118.500 118.500 120.587 -2.087 17821
4725 1 15 . 1 1 35 35 LYS HA H 35 3.890 3.890 3.988 -0.098 17821
4726 1 15 . 1 1 35 35 LYS C C 35 176.500 176.500 178.867 -2.367 17821
4727 1 15 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.082 -2.382 17821
4728 1 15 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.908 -2.408 17821
4729 1 15 . 1 1 35 35 LYS H H 35 7.880 7.880 8.269 -0.389 17821
4730 1 15 . 1 1 36 36 ALA N N 36 120.100 120.100 121.544 -1.444 17821
4731 1 15 . 1 1 36 36 ALA HA H 36 4.040 4.040 3.937 0.103 17821
4732 1 15 . 1 1 36 36 ALA C C 36 177.600 177.600 179.272 -1.672 17821
4733 1 15 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.156 -3.155 17821
4734 1 15 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.437 -3.037 17821
4735 1 15 . 1 1 36 36 ALA H H 36 7.490 7.490 7.926 -0.436 17821
4736 1 15 . 1 1 37 37 ARG N N 37 118.500 118.500 118.755 -0.255 17821
4737 1 15 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.945 -0.325 17821
4738 1 15 . 1 1 37 37 ARG C C 37 174.100 174.100 177.899 -3.799 17821
4739 1 15 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.925 -3.325 17821
4740 1 15 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.229 -3.129 17821
4741 1 15 . 1 1 37 37 ARG H H 37 7.630 7.630 8.478 -0.848 17821
4742 1 15 . 1 1 38 38 ASP N N 38 120.200 120.200 119.488 0.712 17821
4743 1 15 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.401 -0.131 17821
4744 1 15 . 1 1 38 38 ASP C C 38 175.500 175.500 178.552 -3.052 17821
4745 1 15 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.303 -2.603 17821
4746 1 15 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.269 -4.069 17821
4747 1 15 . 1 1 38 38 ASP H H 38 8.680 8.680 8.031 0.649 17821
4748 1 15 . 1 1 39 39 ALA N N 39 121.100 121.100 122.517 -1.417 17821
4749 1 15 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.081 -0.071 17821
4750 1 15 . 1 1 39 39 ALA C C 39 176.800 176.800 179.432 -2.632 17821
4751 1 15 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.329 -3.229 17821
4752 1 15 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.220 -3.020 17821
4753 1 15 . 1 1 39 39 ALA H H 39 8.040 8.040 8.213 -0.173 17821
4754 1 15 . 1 1 40 40 CYS N N 40 117.600 117.600 117.978 -0.378 17821
4755 1 15 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.207 -0.027 17821
4756 1 15 . 1 1 40 40 CYS C C 40 173.800 173.800 176.866 -3.066 17821
4757 1 15 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.768 -4.868 17821
4758 1 15 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.048 10.352 17821
4759 1 15 . 1 1 40 40 CYS H H 40 7.340 7.340 7.979 -0.639 17821
4760 1 15 . 1 1 41 41 ILE N N 41 121.500 121.500 120.776 0.724 17821
4761 1 15 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.834 -0.784 17821
4762 1 15 . 1 1 41 41 ILE C C 41 176.100 176.100 178.455 -2.355 17821
4763 1 15 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.509 -1.109 17821
4764 1 15 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.655 -2.355 17821
4765 1 15 . 1 1 41 41 ILE H H 41 8.230 8.230 8.465 -0.235 17821
4766 1 15 . 1 1 42 42 ILE N N 42 119.200 119.200 120.428 -1.228 17821
4767 1 15 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.675 0.015 17821
4768 1 15 . 1 1 42 42 ILE C C 42 174.200 174.200 177.711 -3.511 17821
4769 1 15 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.904 -3.604 17821
4770 1 15 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.949 -2.149 17821
4771 1 15 . 1 1 42 42 ILE H H 42 7.770 7.770 8.017 -0.247 17821
4772 1 15 . 1 1 43 43 GLU N N 43 118.700 118.700 118.288 0.412 17821
4773 1 15 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.187 -0.137 17821
4774 1 15 . 1 1 43 43 GLU C C 43 175.300 175.300 177.581 -2.281 17821
4775 1 15 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.702 -2.402 17821
4776 1 15 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.381 -2.181 17821
4777 1 15 . 1 1 43 43 GLU H H 43 7.600 7.600 8.130 -0.530 17821
4778 1 15 . 1 1 44 44 LYS N N 44 114.600 114.600 114.527 0.073 17821
4779 1 15 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.587 -0.137 17821
4780 1 15 . 1 1 44 44 LYS C C 44 174.500 174.500 175.924 -1.424 17821
4781 1 15 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.675 -2.875 17821
4782 1 15 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.551 -2.852 17821
4783 1 15 . 1 1 44 44 LYS H H 44 8.860 8.860 8.455 0.405 17821
4784 1 15 . 1 1 45 45 GLY N N 45 108.700 108.700 108.547 0.153 17821
4785 1 15 . 1 1 45 45 GLY C C 45 171.000 171.000 174.789 -3.789 17821
4786 1 15 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.526 -3.226 17821
4787 1 15 . 1 1 45 45 GLY H H 45 7.690 7.690 7.872 -0.182 17821
4788 1 15 . 1 1 46 46 GLU N N 46 120.800 120.800 121.508 -0.708 17821
4789 1 15 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.834 -0.394 17821
4790 1 15 . 1 1 46 46 GLU C C 46 175.800 175.800 178.332 -2.532 17821
4791 1 15 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.817 -1.517 17821
4792 1 15 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.451 -2.351 17821
4793 1 15 . 1 1 46 46 GLU H H 46 8.900 8.900 8.875 0.025 17821
4794 1 15 . 1 1 47 47 GLU N N 47 118.700 118.700 116.313 2.387 17821
4795 1 15 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.005 -0.065 17821
4796 1 15 . 1 1 47 47 GLU C C 47 174.300 174.300 177.227 -2.927 17821
4797 1 15 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.085 -2.185 17821
4798 1 15 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.797 -3.297 17821
4799 1 15 . 1 1 47 47 GLU H H 47 9.530 9.530 8.790 0.740 17821
4800 1 15 . 1 1 48 48 HIS N N 48 117.500 117.500 115.608 1.892 17821
4801 1 15 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.864 0.006 17821
4802 1 15 . 1 1 48 48 HIS C C 48 173.300 173.300 174.352 -1.052 17821
4803 1 15 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.638 -2.538 17821
4804 1 15 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.541 -2.641 17821
4805 1 15 . 1 1 48 48 HIS H H 48 7.500 7.500 7.710 -0.210 17821
4806 1 15 . 1 1 49 49 CYS N N 49 116.100 116.100 119.204 -3.104 17821
4807 1 15 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.891 0.159 17821
4808 1 15 . 1 1 49 49 CYS C C 49 173.700 173.700 175.635 -1.935 17821
4809 1 15 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.596 -5.896 17821
4810 1 15 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.070 12.430 17821
4811 1 15 . 1 1 49 49 CYS H H 49 7.460 7.460 7.585 -0.125 17821
4812 1 15 . 1 1 50 50 GLY N N 50 112.900 112.900 110.780 2.120 17821
4813 1 15 . 1 1 50 50 GLY C C 50 172.500 172.500 175.845 -3.345 17821
4814 1 15 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.731 -2.431 17821
4815 1 15 . 1 1 50 50 GLY H H 50 9.150 9.150 8.572 0.578 17821
4816 1 15 . 1 1 51 51 HIS C C 51 175.400 175.400 176.662 -1.262 17821
4817 1 15 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.564 -2.164 17821
4818 1 15 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.741 -3.741 17821
4819 1 15 . 1 1 52 52 LEU N N 52 122.000 122.000 120.871 1.129 17821
4820 1 15 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.031 0.079 17821
4821 1 15 . 1 1 52 52 LEU C C 52 177.700 177.700 178.766 -1.066 17821
4822 1 15 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.112 -3.312 17821
4823 1 15 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.283 -1.783 17821
4824 1 15 . 1 1 52 52 LEU H H 52 6.810 6.810 8.056 -1.246 17821
4825 1 15 . 1 1 53 53 ILE N N 53 124.200 124.200 120.404 3.796 17821
4826 1 15 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.577 -0.147 17821
4827 1 15 . 1 1 53 53 ILE C C 53 176.100 176.100 178.303 -2.203 17821
4828 1 15 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.166 -2.966 17821
4829 1 15 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.885 -1.985 17821
4830 1 15 . 1 1 53 53 ILE H H 53 8.170 8.170 8.371 -0.201 17821
4831 1 15 . 1 1 54 54 GLU N N 54 120.600 120.600 119.993 0.607 17821
4832 1 15 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.999 0.031 17821
4833 1 15 . 1 1 54 54 GLU C C 54 175.400 175.400 178.716 -3.316 17821
4834 1 15 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.789 -3.689 17821
4835 1 15 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.701 -3.701 17821
4836 1 15 . 1 1 54 54 GLU H H 54 8.380 8.380 8.225 0.155 17821
4837 1 15 . 1 1 55 55 ALA N N 55 120.800 120.800 122.479 -1.679 17821
4838 1 15 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.960 0.160 17821
4839 1 15 . 1 1 55 55 ALA C C 55 177.900 177.900 179.055 -1.155 17821
4840 1 15 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.104 -2.904 17821
4841 1 15 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.023 -2.923 17821
4842 1 15 . 1 1 55 55 ALA H H 55 7.880 7.880 8.229 -0.349 17821
4843 1 15 . 1 1 56 56 HIS N N 56 117.400 117.400 119.575 -2.175 17821
4844 1 15 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.184 0.116 17821
4845 1 15 . 1 1 56 56 HIS C C 56 173.500 173.500 177.288 -3.788 17821
4846 1 15 . 1 1 56 56 HIS CA C 56 57.000 57.000 60.260 -3.260 17821
4847 1 15 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.218 -1.918 17821
4848 1 15 . 1 1 56 56 HIS H H 56 7.640 7.640 8.585 -0.945 17821
4849 1 15 . 1 1 57 57 LYS N N 57 119.200 119.200 118.829 0.371 17821
4850 1 15 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.918 -0.318 17821
4851 1 15 . 1 1 57 57 LYS C C 57 176.200 176.200 178.999 -2.799 17821
4852 1 15 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.760 -2.160 17821
4853 1 15 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.062 -2.562 17821
4854 1 15 . 1 1 57 57 LYS H H 57 7.620 7.620 8.203 -0.583 17821
4855 1 15 . 1 1 58 58 GLU N N 58 118.400 118.400 120.053 -1.653 17821
4856 1 15 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.053 -0.083 17821
4857 1 15 . 1 1 58 58 GLU C C 58 176.200 176.200 178.821 -2.621 17821
4858 1 15 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.958 -2.758 17821
4859 1 15 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.321 -3.021 17821
4860 1 15 . 1 1 58 58 GLU H H 58 8.490 8.490 8.382 0.108 17821
4861 1 15 . 1 1 59 59 SER N N 59 116.100 116.100 116.161 -0.061 17821
4862 1 15 . 1 1 59 59 SER HA H 59 4.150 4.150 4.174 -0.024 17821
4863 1 15 . 1 1 59 59 SER CA C 59 58.400 58.400 61.502 -3.102 17821
4864 1 15 . 1 1 59 59 SER CB C 59 60.300 60.300 63.149 -2.849 17821
4865 1 15 . 1 1 59 59 SER H H 59 7.790 7.790 8.119 -0.329 17821
4866 1 15 . 1 1 60 60 MET N N 60 117.500 117.500 119.079 -1.579 17821
4867 1 15 . 1 1 60 60 MET HA H 60 4.170 4.170 3.887 0.283 17821
4868 1 15 . 1 1 60 60 MET C C 60 176.400 176.400 177.960 -1.560 17821
4869 1 15 . 1 1 60 60 MET CA C 60 54.400 54.400 55.831 -1.431 17821
4870 1 15 . 1 1 60 60 MET CB C 60 29.100 29.100 30.812 -1.712 17821
4871 1 15 . 1 1 60 60 MET H H 60 7.880 7.880 8.076 -0.196 17821
4872 1 15 . 1 1 61 61 ARG N N 61 121.300 121.300 120.883 0.417 17821
4873 1 15 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.920 0.250 17821
4874 1 15 . 1 1 61 61 ARG C C 61 177.500 177.500 178.451 -0.951 17821
4875 1 15 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.311 -3.211 17821
4876 1 15 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.225 -2.725 17821
4877 1 15 . 1 1 61 61 ARG H H 61 8.290 8.290 8.075 0.215 17821
4878 1 15 . 1 1 62 62 ALA N N 62 123.200 123.200 121.027 2.173 17821
4879 1 15 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.120 -0.050 17821
4880 1 15 . 1 1 62 62 ALA C C 62 176.400 176.400 178.429 -2.029 17821
4881 1 15 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.166 -2.666 17821
4882 1 15 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.459 -3.360 17821
4883 1 15 . 1 1 62 62 ALA H H 62 7.950 7.950 7.616 0.334 17821
4884 1 15 . 1 1 63 63 LEU N N 63 117.500 117.500 114.351 3.149 17821
4885 1 15 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.164 0.036 17821
4886 1 15 . 1 1 63 63 LEU C C 63 174.400 174.400 177.548 -3.148 17821
4887 1 15 . 1 1 63 63 LEU CA C 63 52.900 52.900 53.875 -0.975 17821
4888 1 15 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.795 -0.995 17821
4889 1 15 . 1 1 63 63 LEU H H 63 7.450 7.450 6.878 0.572 17821
4890 1 15 . 1 1 64 64 GLY N N 64 106.300 106.300 106.917 -0.617 17821
4891 1 15 . 1 1 64 64 GLY C C 64 171.400 171.400 175.315 -3.915 17821
4892 1 15 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.107 -4.007 17821
4893 1 15 . 1 1 64 64 GLY H H 64 7.780 7.780 7.550 0.230 17821
4894 1 15 . 1 1 65 65 PHE N N 65 119.800 119.800 115.135 4.665 17821
4895 1 15 . 1 1 65 65 PHE HA H 65 4.470 4.470 5.002 -0.532 17821
4896 1 15 . 1 1 65 65 PHE C C 65 172.300 172.300 175.015 -2.715 17821
4897 1 15 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.057 -1.157 17821
4898 1 15 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.072 -2.172 17821
4899 1 15 . 1 1 65 65 PHE H H 65 7.840 7.840 7.646 0.194 17821
4900 1 15 . 1 1 66 66 LYS N N 66 124.000 124.000 121.045 2.955 17821
4901 1 15 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.662 -0.402 17821
4902 1 15 . 1 1 66 66 LYS C C 66 172.200 172.200 175.831 -3.631 17821
4903 1 15 . 1 1 66 66 LYS CA C 66 53.200 53.200 55.810 -2.611 17821
4904 1 15 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.597 -4.297 17821
4905 1 15 . 1 1 66 66 LYS H H 66 8.370 8.370 7.785 0.585 17821
4906 1 16 . 1 1 4 4 THR N N 4 117.400 117.400 117.181 0.219 17821
4907 1 16 . 1 1 4 4 THR HA H 4 4.130 4.130 4.590 -0.460 17821
4908 1 16 . 1 1 4 4 THR C C 4 170.800 170.800 173.668 -2.868 17821
4909 1 16 . 1 1 4 4 THR CA C 4 58.800 58.800 61.258 -2.458 17821
4910 1 16 . 1 1 4 4 THR CB C 4 67.000 67.000 69.541 -2.542 17821
4911 1 16 . 1 1 4 4 THR H H 4 7.980 7.980 8.490 -0.510 17821
4912 1 16 . 1 1 5 5 MET N N 5 124.400 124.400 119.945 4.455 17821
4913 1 16 . 1 1 5 5 MET C C 5 171.200 171.200 173.772 -2.572 17821
4914 1 16 . 1 1 5 5 MET CA C 5 50.400 50.400 53.120 -2.720 17821
4915 1 16 . 1 1 5 5 MET CB C 5 29.600 29.600 33.732 -4.132 17821
4916 1 16 . 1 1 5 5 MET H H 5 8.250 8.250 8.228 0.022 17821
4917 1 16 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.347 -0.067 17821
4918 1 16 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.793 -3.293 17821
4919 1 16 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.854 -2.654 17821
4920 1 16 . 1 1 7 7 GLY N N 7 109.000 109.000 112.635 -3.635 17821
4921 1 16 . 1 1 7 7 GLY C C 7 171.200 171.200 175.122 -3.922 17821
4922 1 16 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.209 -2.809 17821
4923 1 16 . 1 1 7 7 GLY H H 7 8.360 8.360 8.529 -0.169 17821
4924 1 16 . 1 1 8 8 LEU N N 8 121.700 121.700 123.126 -1.426 17821
4925 1 16 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.372 -0.112 17821
4926 1 16 . 1 1 8 8 LEU C C 8 174.600 174.600 175.961 -1.361 17821
4927 1 16 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.803 -2.503 17821
4928 1 16 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.745 -0.345 17821
4929 1 16 . 1 1 8 8 LEU H H 8 7.920 7.920 7.726 0.195 17821
4930 1 16 . 1 1 9 9 VAL N N 9 120.900 120.900 123.716 -2.816 17821
4931 1 16 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.282 -0.302 17821
4932 1 16 . 1 1 9 9 VAL C C 9 172.900 172.900 175.169 -2.269 17821
4933 1 16 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.520 -2.120 17821
4934 1 16 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.801 -3.801 17821
4935 1 16 . 1 1 9 9 VAL H H 9 8.050 8.050 7.615 0.435 17821
4936 1 16 . 1 1 10 10 ASP N N 10 124.300 124.300 127.285 -2.985 17821
4937 1 16 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.852 -0.382 17821
4938 1 16 . 1 1 10 10 ASP C C 10 173.100 173.100 175.753 -2.653 17821
4939 1 16 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.343 -2.843 17821
4940 1 16 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.681 -2.381 17821
4941 1 16 . 1 1 10 10 ASP H H 10 8.300 8.300 8.482 -0.182 17821
4942 1 16 . 1 1 11 11 SER N N 11 116.400 116.400 118.100 -1.700 17821
4943 1 16 . 1 1 11 11 SER HA H 11 4.290 4.290 4.537 -0.247 17821
4944 1 16 . 1 1 11 11 SER C C 11 171.200 171.200 175.536 -4.336 17821
4945 1 16 . 1 1 11 11 SER CA C 11 55.500 55.500 57.482 -1.982 17821
4946 1 16 . 1 1 11 11 SER CB C 11 60.900 60.900 64.539 -3.639 17821
4947 1 16 . 1 1 11 11 SER H H 11 8.130 8.130 8.323 -0.193 17821
4948 1 16 . 1 1 12 12 ASN N N 12 121.600 121.600 120.727 0.873 17821
4949 1 16 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.766 -0.536 17821
4950 1 16 . 1 1 12 12 ASN C C 12 170.000 170.000 173.876 -3.876 17821
4951 1 16 . 1 1 12 12 ASN CA C 12 56.500 56.500 53.362 3.138 17821
4952 1 16 . 1 1 12 12 ASN CB C 12 36.000 36.000 37.558 -1.558 17821
4953 1 16 . 1 1 12 12 ASN H H 12 8.360 8.360 8.519 -0.159 17821
4954 1 16 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.368 -0.078 17821
4955 1 16 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.483 -3.183 17821
4956 1 16 . 1 1 13 13 PRO CB C 13 29.200 29.200 31.933 -2.733 17821
4957 1 16 . 1 1 14 14 ALA N N 14 125.700 125.700 121.379 4.321 17821
4958 1 16 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.175 0.235 17821
4959 1 16 . 1 1 14 14 ALA C C 14 172.200 172.200 175.460 -3.260 17821
4960 1 16 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.700 -4.200 17821
4961 1 16 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.535 -2.435 17821
4962 1 16 . 1 1 14 14 ALA H H 14 8.260 8.260 8.310 -0.050 17821
4963 1 16 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.424 -0.144 17821
4964 1 16 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.310 -2.810 17821
4965 1 16 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.013 -2.813 17821
4966 1 16 . 1 1 17 17 GLU N N 17 120.600 120.600 119.629 0.971 17821
4967 1 16 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.036 0.084 17821
4968 1 16 . 1 1 17 17 GLU C C 17 173.900 173.900 175.121 -1.221 17821
4969 1 16 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.465 -2.365 17821
4970 1 16 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.222 -3.122 17821
4971 1 16 . 1 1 17 17 GLU H H 17 8.550 8.550 8.568 -0.018 17821
4972 1 16 . 1 1 18 18 SER N N 18 116.400 116.400 118.910 -2.510 17821
4973 1 16 . 1 1 18 18 SER HA H 18 4.310 4.310 4.493 -0.183 17821
4974 1 16 . 1 1 18 18 SER C C 18 171.900 171.900 174.739 -2.839 17821
4975 1 16 . 1 1 18 18 SER CA C 18 55.600 55.600 58.593 -2.993 17821
4976 1 16 . 1 1 18 18 SER CB C 18 60.800 60.800 62.999 -2.199 17821
4977 1 16 . 1 1 18 18 SER H H 18 8.240 8.240 8.673 -0.433 17821
4978 1 16 . 1 1 19 19 GLN N N 19 122.300 122.300 126.448 -4.148 17821
4979 1 16 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.569 -0.369 17821
4980 1 16 . 1 1 19 19 GLN C C 19 173.100 173.100 174.815 -1.715 17821
4981 1 16 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.631 -2.631 17821
4982 1 16 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.865 -2.365 17821
4983 1 16 . 1 1 19 19 GLN H H 19 8.310 8.310 8.769 -0.459 17821
4984 1 16 . 1 1 20 20 GLU N N 20 121.600 121.600 121.188 0.412 17821
4985 1 16 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.623 -0.333 17821
4986 1 16 . 1 1 20 20 GLU C C 20 173.500 173.500 175.279 -1.779 17821
4987 1 16 . 1 1 20 20 GLU CA C 20 53.900 53.900 55.486 -1.586 17821
4988 1 16 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.331 -3.931 17821
4989 1 16 . 1 1 20 20 GLU H H 20 8.240 8.240 8.204 0.036 17821
4990 1 16 . 1 1 21 21 LYS N N 21 122.900 122.900 123.066 -0.166 17821
4991 1 16 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.579 -0.399 17821
4992 1 16 . 1 1 21 21 LYS C C 21 173.400 173.400 175.307 -1.907 17821
4993 1 16 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.230 -2.930 17821
4994 1 16 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.401 -3.602 17821
4995 1 16 . 1 1 21 21 LYS H H 21 8.260 8.260 8.477 -0.217 17821
4996 1 16 . 1 1 22 22 LYS N N 22 124.000 124.000 126.561 -2.561 17821
4997 1 16 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.632 -0.182 17821
4998 1 16 . 1 1 22 22 LYS C C 22 171.500 171.500 174.289 -2.789 17821
4999 1 16 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.581 -2.381 17821
5000 1 16 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.965 -3.465 17821
5001 1 16 . 1 1 22 22 LYS H H 22 8.220 8.220 8.491 -0.271 17821
5002 1 16 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.562 -0.272 17821
5003 1 16 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.369 -2.269 17821
5004 1 16 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.616 -3.416 17821
5005 1 16 . 1 1 24 24 LEU N N 24 122.700 122.700 122.331 0.369 17821
5006 1 16 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.507 -0.347 17821
5007 1 16 . 1 1 24 24 LEU C C 24 174.400 174.400 176.460 -2.060 17821
5008 1 16 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.072 -2.672 17821
5009 1 16 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.194 -2.594 17821
5010 1 16 . 1 1 24 24 LEU H H 24 8.270 8.270 8.391 -0.121 17821
5011 1 16 . 1 1 25 25 LYS N N 25 123.400 123.400 124.650 -1.250 17821
5012 1 16 . 1 1 25 25 LYS C C 25 171.600 171.600 174.661 -3.061 17821
5013 1 16 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.059 -3.159 17821
5014 1 16 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.434 -2.634 17821
5015 1 16 . 1 1 25 25 LYS H H 25 8.180 8.180 8.009 0.171 17821
5016 1 16 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.049 -13.049 17821
5017 1 16 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.494 2.506 17821
5018 1 16 . 1 1 29 29 ALA N N 29 123.800 123.800 125.306 -1.506 17821
5019 1 16 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.609 -0.459 17821
5020 1 16 . 1 1 29 29 ALA C C 29 173.200 173.200 176.458 -3.258 17821
5021 1 16 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.680 -1.980 17821
5022 1 16 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.063 -3.463 17821
5023 1 16 . 1 1 29 29 ALA H H 29 8.050 8.050 8.072 -0.022 17821
5024 1 16 . 1 1 30 30 SER N N 30 112.800 112.800 115.863 -3.063 17821
5025 1 16 . 1 1 30 30 SER HA H 30 4.580 4.580 4.898 -0.318 17821
5026 1 16 . 1 1 30 30 SER C C 30 173.300 173.300 174.238 -0.938 17821
5027 1 16 . 1 1 30 30 SER CA C 30 52.600 52.600 55.567 -2.967 17821
5028 1 16 . 1 1 30 30 SER CB C 30 59.400 59.400 63.322 -3.922 17821
5029 1 16 . 1 1 30 30 SER H H 30 8.270 8.270 8.250 0.020 17821
5030 1 16 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.203 -0.043 17821
5031 1 16 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.070 -3.270 17821
5032 1 16 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.166 -2.866 17821
5033 1 16 . 1 1 32 32 GLU N N 32 119.100 119.100 118.563 0.537 17821
5034 1 16 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.141 -0.081 17821
5035 1 16 . 1 1 32 32 GLU C C 32 177.300 177.300 178.263 -0.963 17821
5036 1 16 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.988 -3.088 17821
5037 1 16 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.847 -2.847 17821
5038 1 16 . 1 1 32 32 GLU H H 32 8.720 8.720 8.785 -0.065 17821
5039 1 16 . 1 1 33 33 THR N N 33 110.800 110.800 113.248 -2.448 17821
5040 1 16 . 1 1 33 33 THR HA H 33 4.040 4.040 4.118 -0.078 17821
5041 1 16 . 1 1 33 33 THR C C 33 176.000 176.000 176.304 -0.304 17821
5042 1 16 . 1 1 33 33 THR CA C 33 61.700 61.700 65.795 -4.095 17821
5043 1 16 . 1 1 33 33 THR CB C 33 64.100 64.100 68.734 -4.634 17821
5044 1 16 . 1 1 33 33 THR H H 33 7.620 7.620 7.754 -0.134 17821
5045 1 16 . 1 1 34 34 LYS N N 34 127.100 127.100 122.697 4.403 17821
5046 1 16 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.821 -0.901 17821
5047 1 16 . 1 1 34 34 LYS C C 34 174.300 174.300 178.368 -4.068 17821
5048 1 16 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.688 -2.388 17821
5049 1 16 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.448 -2.448 17821
5050 1 16 . 1 1 34 34 LYS H H 34 7.740 7.740 8.131 -0.391 17821
5051 1 16 . 1 1 35 35 LYS N N 35 118.500 118.500 118.865 -0.365 17821
5052 1 16 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.033 -0.143 17821
5053 1 16 . 1 1 35 35 LYS C C 35 176.500 176.500 178.941 -2.441 17821
5054 1 16 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.400 -2.700 17821
5055 1 16 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.099 -2.599 17821
5056 1 16 . 1 1 35 35 LYS H H 35 7.880 7.880 8.216 -0.336 17821
5057 1 16 . 1 1 36 36 ALA N N 36 120.100 120.100 121.535 -1.435 17821
5058 1 16 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.169 -0.129 17821
5059 1 16 . 1 1 36 36 ALA C C 36 177.600 177.600 179.566 -1.966 17821
5060 1 16 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.883 -2.883 17821
5061 1 16 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.366 -2.966 17821
5062 1 16 . 1 1 36 36 ALA H H 36 7.490 7.490 8.052 -0.562 17821
5063 1 16 . 1 1 37 37 ARG N N 37 118.500 118.500 119.020 -0.520 17821
5064 1 16 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.921 -0.301 17821
5065 1 16 . 1 1 37 37 ARG C C 37 174.100 174.100 178.208 -4.108 17821
5066 1 16 . 1 1 37 37 ARG CA C 37 56.600 56.600 58.849 -2.249 17821
5067 1 16 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.203 -2.103 17821
5068 1 16 . 1 1 37 37 ARG H H 37 7.630 7.630 8.157 -0.527 17821
5069 1 16 . 1 1 38 38 ASP N N 38 120.200 120.200 119.183 1.017 17821
5070 1 16 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.363 -0.093 17821
5071 1 16 . 1 1 38 38 ASP C C 38 175.500 175.500 178.584 -3.084 17821
5072 1 16 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.158 -2.458 17821
5073 1 16 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.219 -4.019 17821
5074 1 16 . 1 1 38 38 ASP H H 38 8.680 8.680 8.300 0.380 17821
5075 1 16 . 1 1 39 39 ALA N N 39 121.100 121.100 122.739 -1.639 17821
5076 1 16 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.052 -0.042 17821
5077 1 16 . 1 1 39 39 ALA C C 39 176.800 176.800 179.702 -2.902 17821
5078 1 16 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.419 -3.319 17821
5079 1 16 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.238 -3.038 17821
5080 1 16 . 1 1 39 39 ALA H H 39 8.040 8.040 8.103 -0.063 17821
5081 1 16 . 1 1 40 40 CYS N N 40 117.600 117.600 117.430 0.170 17821
5082 1 16 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.242 -0.062 17821
5083 1 16 . 1 1 40 40 CYS C C 40 173.800 173.800 176.903 -3.103 17821
5084 1 16 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.768 -4.868 17821
5085 1 16 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.033 10.367 17821
5086 1 16 . 1 1 40 40 CYS H H 40 7.340 7.340 8.130 -0.790 17821
5087 1 16 . 1 1 41 41 ILE N N 41 121.500 121.500 121.125 0.375 17821
5088 1 16 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.789 -0.739 17821
5089 1 16 . 1 1 41 41 ILE C C 41 176.100 176.100 178.306 -2.206 17821
5090 1 16 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.246 -0.846 17821
5091 1 16 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.716 -2.416 17821
5092 1 16 . 1 1 41 41 ILE H H 41 8.230 8.230 8.157 0.073 17821
5093 1 16 . 1 1 42 42 ILE N N 42 119.200 119.200 119.960 -0.760 17821
5094 1 16 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.700 -0.010 17821
5095 1 16 . 1 1 42 42 ILE C C 42 174.200 174.200 177.562 -3.362 17821
5096 1 16 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.882 -3.582 17821
5097 1 16 . 1 1 42 42 ILE CB C 42 35.800 35.800 38.024 -2.224 17821
5098 1 16 . 1 1 42 42 ILE H H 42 7.770 7.770 8.290 -0.520 17821
5099 1 16 . 1 1 43 43 GLU N N 43 118.700 118.700 120.207 -1.507 17821
5100 1 16 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.232 -0.182 17821
5101 1 16 . 1 1 43 43 GLU C C 43 175.300 175.300 177.902 -2.602 17821
5102 1 16 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.653 -2.353 17821
5103 1 16 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.124 -1.924 17821
5104 1 16 . 1 1 43 43 GLU H H 43 7.600 7.600 8.122 -0.522 17821
5105 1 16 . 1 1 44 44 LYS N N 44 114.600 114.600 115.147 -0.547 17821
5106 1 16 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.546 -0.096 17821
5107 1 16 . 1 1 44 44 LYS C C 44 174.500 174.500 176.375 -1.875 17821
5108 1 16 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.299 -2.499 17821
5109 1 16 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.097 -2.397 17821
5110 1 16 . 1 1 44 44 LYS H H 44 8.860 8.860 8.210 0.650 17821
5111 1 16 . 1 1 45 45 GLY N N 45 108.700 108.700 108.718 -0.018 17821
5112 1 16 . 1 1 45 45 GLY C C 45 171.000 171.000 174.643 -3.643 17821
5113 1 16 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.424 -3.124 17821
5114 1 16 . 1 1 45 45 GLY H H 45 7.690 7.690 7.975 -0.285 17821
5115 1 16 . 1 1 46 46 GLU N N 46 120.800 120.800 121.973 -1.173 17821
5116 1 16 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.979 -0.539 17821
5117 1 16 . 1 1 46 46 GLU C C 46 175.800 175.800 177.982 -2.182 17821
5118 1 16 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.234 -0.934 17821
5119 1 16 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.666 -2.566 17821
5120 1 16 . 1 1 46 46 GLU H H 46 8.900 8.900 8.879 0.021 17821
5121 1 16 . 1 1 47 47 GLU N N 47 118.700 118.700 117.218 1.482 17821
5122 1 16 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.147 -0.207 17821
5123 1 16 . 1 1 47 47 GLU C C 47 174.300 174.300 177.368 -3.068 17821
5124 1 16 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.015 -1.115 17821
5125 1 16 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.034 -3.534 17821
5126 1 16 . 1 1 47 47 GLU H H 47 9.530 9.530 8.698 0.832 17821
5127 1 16 . 1 1 48 48 HIS N N 48 117.500 117.500 116.039 1.461 17821
5128 1 16 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.839 0.031 17821
5129 1 16 . 1 1 48 48 HIS C C 48 173.300 173.300 174.409 -1.109 17821
5130 1 16 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.818 -2.718 17821
5131 1 16 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.789 -1.889 17821
5132 1 16 . 1 1 48 48 HIS H H 48 7.500 7.500 7.631 -0.131 17821
5133 1 16 . 1 1 49 49 CYS N N 49 116.100 116.100 118.600 -2.500 17821
5134 1 16 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.860 0.190 17821
5135 1 16 . 1 1 49 49 CYS C C 49 173.700 173.700 175.846 -2.146 17821
5136 1 16 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.477 -5.777 17821
5137 1 16 . 1 1 49 49 CYS CB C 49 39.500 39.500 27.026 12.474 17821
5138 1 16 . 1 1 49 49 CYS H H 49 7.460 7.460 7.563 -0.103 17821
5139 1 16 . 1 1 50 50 GLY N N 50 112.900 112.900 110.743 2.157 17821
5140 1 16 . 1 1 50 50 GLY C C 50 172.500 172.500 175.860 -3.360 17821
5141 1 16 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.546 -2.246 17821
5142 1 16 . 1 1 50 50 GLY H H 50 9.150 9.150 8.698 0.452 17821
5143 1 16 . 1 1 51 51 HIS C C 51 175.400 175.400 177.203 -1.803 17821
5144 1 16 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.510 -2.110 17821
5145 1 16 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.504 -3.504 17821
5146 1 16 . 1 1 52 52 LEU N N 52 122.000 122.000 121.998 0.002 17821
5147 1 16 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.212 -0.102 17821
5148 1 16 . 1 1 52 52 LEU C C 52 177.700 177.700 178.723 -1.023 17821
5149 1 16 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.085 -3.285 17821
5150 1 16 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.281 -1.781 17821
5151 1 16 . 1 1 52 52 LEU H H 52 6.810 6.810 7.609 -0.799 17821
5152 1 16 . 1 1 53 53 ILE N N 53 124.200 124.200 120.576 3.624 17821
5153 1 16 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.611 -0.181 17821
5154 1 16 . 1 1 53 53 ILE C C 53 176.100 176.100 178.368 -2.268 17821
5155 1 16 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.070 -2.870 17821
5156 1 16 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.813 -1.913 17821
5157 1 16 . 1 1 53 53 ILE H H 53 8.170 8.170 8.603 -0.433 17821
5158 1 16 . 1 1 54 54 GLU N N 54 120.600 120.600 120.188 0.412 17821
5159 1 16 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.926 0.104 17821
5160 1 16 . 1 1 54 54 GLU C C 54 175.400 175.400 178.616 -3.216 17821
5161 1 16 . 1 1 54 54 GLU CA C 54 56.100 56.100 60.027 -3.927 17821
5162 1 16 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.671 -3.671 17821
5163 1 16 . 1 1 54 54 GLU H H 54 8.380 8.380 8.296 0.084 17821
5164 1 16 . 1 1 55 55 ALA N N 55 120.800 120.800 121.457 -0.657 17821
5165 1 16 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.042 0.078 17821
5166 1 16 . 1 1 55 55 ALA C C 55 177.900 177.900 179.561 -1.661 17821
5167 1 16 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.282 -3.082 17821
5168 1 16 . 1 1 55 55 ALA CB C 55 15.100 15.100 17.822 -2.722 17821
5169 1 16 . 1 1 55 55 ALA H H 55 7.880 7.880 7.988 -0.108 17821
5170 1 16 . 1 1 56 56 HIS N N 56 117.400 117.400 118.854 -1.454 17821
5171 1 16 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.253 0.047 17821
5172 1 16 . 1 1 56 56 HIS C C 56 173.500 173.500 177.397 -3.897 17821
5173 1 16 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.696 -2.696 17821
5174 1 16 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.289 -1.989 17821
5175 1 16 . 1 1 56 56 HIS H H 56 7.640 7.640 8.507 -0.867 17821
5176 1 16 . 1 1 57 57 LYS N N 57 119.200 119.200 118.982 0.218 17821
5177 1 16 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.823 -0.223 17821
5178 1 16 . 1 1 57 57 LYS C C 57 176.200 176.200 178.944 -2.744 17821
5179 1 16 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.555 -1.955 17821
5180 1 16 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.093 -2.593 17821
5181 1 16 . 1 1 57 57 LYS H H 57 7.620 7.620 8.306 -0.686 17821
5182 1 16 . 1 1 58 58 GLU N N 58 118.400 118.400 120.280 -1.880 17821
5183 1 16 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.011 -0.041 17821
5184 1 16 . 1 1 58 58 GLU C C 58 176.200 176.200 178.897 -2.697 17821
5185 1 16 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.033 -2.833 17821
5186 1 16 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.380 -3.080 17821
5187 1 16 . 1 1 58 58 GLU H H 58 8.490 8.490 8.169 0.321 17821
5188 1 16 . 1 1 59 59 SER N N 59 116.100 116.100 115.085 1.015 17821
5189 1 16 . 1 1 59 59 SER HA H 59 4.150 4.150 4.193 -0.043 17821
5190 1 16 . 1 1 59 59 SER CA C 59 58.400 58.400 61.224 -2.824 17821
5191 1 16 . 1 1 59 59 SER CB C 59 60.300 60.300 63.102 -2.802 17821
5192 1 16 . 1 1 59 59 SER H H 59 7.790 7.790 8.190 -0.400 17821
5193 1 16 . 1 1 60 60 MET N N 60 117.500 117.500 121.066 -3.566 17821
5194 1 16 . 1 1 60 60 MET HA H 60 4.170 4.170 4.157 0.013 17821
5195 1 16 . 1 1 60 60 MET C C 60 176.400 176.400 177.641 -1.241 17821
5196 1 16 . 1 1 60 60 MET CA C 60 54.400 54.400 55.519 -1.119 17821
5197 1 16 . 1 1 60 60 MET CB C 60 29.100 29.100 32.167 -3.067 17821
5198 1 16 . 1 1 60 60 MET H H 60 7.880 7.880 8.297 -0.417 17821
5199 1 16 . 1 1 61 61 ARG N N 61 121.300 121.300 121.461 -0.161 17821
5200 1 16 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.939 0.231 17821
5201 1 16 . 1 1 61 61 ARG C C 61 177.500 177.500 178.424 -0.924 17821
5202 1 16 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.114 -3.014 17821
5203 1 16 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.075 -2.575 17821
5204 1 16 . 1 1 61 61 ARG H H 61 8.290 8.290 8.162 0.128 17821
5205 1 16 . 1 1 62 62 ALA N N 62 123.200 123.200 123.004 0.196 17821
5206 1 16 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.096 -0.026 17821
5207 1 16 . 1 1 62 62 ALA C C 62 176.400 176.400 178.319 -1.919 17821
5208 1 16 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.404 -2.904 17821
5209 1 16 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.476 -3.376 17821
5210 1 16 . 1 1 62 62 ALA H H 62 7.950 7.950 7.990 -0.040 17821
5211 1 16 . 1 1 63 63 LEU N N 63 117.500 117.500 116.705 0.795 17821
5212 1 16 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.478 -0.278 17821
5213 1 16 . 1 1 63 63 LEU C C 63 174.400 174.400 177.928 -3.528 17821
5214 1 16 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.333 -1.433 17821
5215 1 16 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.699 -1.899 17821
5216 1 16 . 1 1 63 63 LEU H H 63 7.450 7.450 7.275 0.175 17821
5217 1 16 . 1 1 64 64 GLY N N 64 106.300 106.300 108.355 -2.055 17821
5218 1 16 . 1 1 64 64 GLY C C 64 171.400 171.400 175.186 -3.786 17821
5219 1 16 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.010 -3.910 17821
5220 1 16 . 1 1 64 64 GLY H H 64 7.780 7.780 7.877 -0.097 17821
5221 1 16 . 1 1 65 65 PHE N N 65 119.800 119.800 116.135 3.665 17821
5222 1 16 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.893 -0.423 17821
5223 1 16 . 1 1 65 65 PHE C C 65 172.300 172.300 175.464 -3.164 17821
5224 1 16 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.531 -1.631 17821
5225 1 16 . 1 1 65 65 PHE CB C 65 36.900 36.900 39.095 -2.195 17821
5226 1 16 . 1 1 65 65 PHE H H 65 7.840 7.840 7.422 0.418 17821
5227 1 16 . 1 1 66 66 LYS N N 66 124.000 124.000 121.130 2.870 17821
5228 1 16 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.426 -0.166 17821
5229 1 16 . 1 1 66 66 LYS C C 66 172.200 172.200 175.653 -3.453 17821
5230 1 16 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.867 -3.667 17821
5231 1 16 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.429 -4.129 17821
5232 1 16 . 1 1 66 66 LYS H H 66 8.370 8.370 8.042 0.328 17821
5233 1 17 . 1 1 4 4 THR N N 4 117.400 117.400 116.995 0.405 17821
5234 1 17 . 1 1 4 4 THR HA H 4 4.130 4.130 4.452 -0.322 17821
5235 1 17 . 1 1 4 4 THR C C 4 170.800 170.800 173.779 -2.979 17821
5236 1 17 . 1 1 4 4 THR CA C 4 58.800 58.800 62.351 -3.551 17821
5237 1 17 . 1 1 4 4 THR CB C 4 67.000 67.000 69.177 -2.178 17821
5238 1 17 . 1 1 4 4 THR H H 4 7.980 7.980 8.465 -0.485 17821
5239 1 17 . 1 1 5 5 MET N N 5 124.400 124.400 124.743 -0.343 17821
5240 1 17 . 1 1 5 5 MET C C 5 171.200 171.200 174.252 -3.052 17821
5241 1 17 . 1 1 5 5 MET CA C 5 50.400 50.400 52.607 -2.207 17821
5242 1 17 . 1 1 5 5 MET CB C 5 29.600 29.600 34.681 -5.081 17821
5243 1 17 . 1 1 5 5 MET H H 5 8.250 8.250 8.279 -0.029 17821
5244 1 17 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.676 -0.396 17821
5245 1 17 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.195 -2.695 17821
5246 1 17 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.563 -3.363 17821
5247 1 17 . 1 1 7 7 GLY N N 7 109.000 109.000 108.968 0.032 17821
5248 1 17 . 1 1 7 7 GLY C C 7 171.200 171.200 175.855 -4.655 17821
5249 1 17 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.421 -3.021 17821
5250 1 17 . 1 1 7 7 GLY H H 7 8.360 8.360 8.516 -0.156 17821
5251 1 17 . 1 1 8 8 LEU N N 8 121.700 121.700 121.834 -0.134 17821
5252 1 17 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.329 -0.069 17821
5253 1 17 . 1 1 8 8 LEU C C 8 174.600 174.600 176.120 -1.520 17821
5254 1 17 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.645 -2.345 17821
5255 1 17 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.045 -0.645 17821
5256 1 17 . 1 1 8 8 LEU H H 8 7.920 7.920 8.208 -0.288 17821
5257 1 17 . 1 1 9 9 VAL N N 9 120.900 120.900 116.282 4.618 17821
5258 1 17 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.362 -0.382 17821
5259 1 17 . 1 1 9 9 VAL C C 9 172.900 172.900 175.004 -2.104 17821
5260 1 17 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.661 -1.261 17821
5261 1 17 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.892 -3.892 17821
5262 1 17 . 1 1 9 9 VAL H H 9 8.050 8.050 7.582 0.468 17821
5263 1 17 . 1 1 10 10 ASP N N 10 124.300 124.300 124.370 -0.070 17821
5264 1 17 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.793 -0.323 17821
5265 1 17 . 1 1 10 10 ASP C C 10 173.100 173.100 176.129 -3.029 17821
5266 1 17 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.762 -2.262 17821
5267 1 17 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.536 -2.236 17821
5268 1 17 . 1 1 10 10 ASP H H 10 8.300 8.300 8.618 -0.318 17821
5269 1 17 . 1 1 11 11 SER N N 11 116.400 116.400 119.239 -2.839 17821
5270 1 17 . 1 1 11 11 SER HA H 11 4.290 4.290 4.484 -0.194 17821
5271 1 17 . 1 1 11 11 SER C C 11 171.200 171.200 174.284 -3.084 17821
5272 1 17 . 1 1 11 11 SER CA C 11 55.500 55.500 58.716 -3.216 17821
5273 1 17 . 1 1 11 11 SER CB C 11 60.900 60.900 63.495 -2.595 17821
5274 1 17 . 1 1 11 11 SER H H 11 8.130 8.130 8.729 -0.599 17821
5275 1 17 . 1 1 12 12 ASN N N 12 121.600 121.600 119.392 2.208 17821
5276 1 17 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.086 -0.856 17821
5277 1 17 . 1 1 12 12 ASN C C 12 170.000 170.000 172.728 -2.728 17821
5278 1 17 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.638 4.862 17821
5279 1 17 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.092 -3.092 17821
5280 1 17 . 1 1 12 12 ASN H H 12 8.360 8.360 7.671 0.689 17821
5281 1 17 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.456 -0.166 17821
5282 1 17 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.889 -2.588 17821
5283 1 17 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.261 -3.061 17821
5284 1 17 . 1 1 14 14 ALA N N 14 125.700 125.700 122.840 2.860 17821
5285 1 17 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.393 0.017 17821
5286 1 17 . 1 1 14 14 ALA C C 14 172.200 172.200 176.175 -3.975 17821
5287 1 17 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.946 -3.446 17821
5288 1 17 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.192 -3.092 17821
5289 1 17 . 1 1 14 14 ALA H H 14 8.260 8.260 8.220 0.040 17821
5290 1 17 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.410 -0.130 17821
5291 1 17 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.475 -2.975 17821
5292 1 17 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.350 -3.150 17821
5293 1 17 . 1 1 17 17 GLU N N 17 120.600 120.600 122.408 -1.808 17821
5294 1 17 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.433 -0.313 17821
5295 1 17 . 1 1 17 17 GLU C C 17 173.900 173.900 175.139 -1.239 17821
5296 1 17 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.055 -1.955 17821
5297 1 17 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.902 -4.802 17821
5298 1 17 . 1 1 17 17 GLU H H 17 8.550 8.550 8.397 0.153 17821
5299 1 17 . 1 1 18 18 SER N N 18 116.400 116.400 119.108 -2.708 17821
5300 1 17 . 1 1 18 18 SER HA H 18 4.310 4.310 4.695 -0.385 17821
5301 1 17 . 1 1 18 18 SER C C 18 171.900 171.900 174.639 -2.739 17821
5302 1 17 . 1 1 18 18 SER CA C 18 55.600 55.600 57.749 -2.149 17821
5303 1 17 . 1 1 18 18 SER CB C 18 60.800 60.800 63.504 -2.704 17821
5304 1 17 . 1 1 18 18 SER H H 18 8.240 8.240 8.483 -0.243 17821
5305 1 17 . 1 1 19 19 GLN N N 19 122.300 122.300 123.711 -1.411 17821
5306 1 17 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.299 -0.099 17821
5307 1 17 . 1 1 19 19 GLN C C 19 173.100 173.100 175.614 -2.514 17821
5308 1 17 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.642 -2.642 17821
5309 1 17 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.429 -2.929 17821
5310 1 17 . 1 1 19 19 GLN H H 19 8.310 8.310 8.493 -0.183 17821
5311 1 17 . 1 1 20 20 GLU N N 20 121.600 121.600 122.274 -0.674 17821
5312 1 17 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.395 -0.105 17821
5313 1 17 . 1 1 20 20 GLU C C 20 173.500 173.500 175.907 -2.407 17821
5314 1 17 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.184 -2.284 17821
5315 1 17 . 1 1 20 20 GLU CB C 20 27.400 27.400 29.908 -2.508 17821
5316 1 17 . 1 1 20 20 GLU H H 20 8.240 8.240 8.468 -0.228 17821
5317 1 17 . 1 1 21 21 LYS N N 21 122.900 122.900 124.307 -1.407 17821
5318 1 17 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.419 -0.239 17821
5319 1 17 . 1 1 21 21 LYS C C 21 173.400 173.400 176.047 -2.647 17821
5320 1 17 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.842 -2.542 17821
5321 1 17 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.804 -4.004 17821
5322 1 17 . 1 1 21 21 LYS H H 21 8.260 8.260 8.391 -0.131 17821
5323 1 17 . 1 1 22 22 LYS N N 22 124.000 124.000 125.687 -1.687 17821
5324 1 17 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.540 -0.090 17821
5325 1 17 . 1 1 22 22 LYS C C 22 171.500 171.500 175.730 -4.230 17821
5326 1 17 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.022 -2.822 17821
5327 1 17 . 1 1 22 22 LYS CB C 22 29.500 29.500 31.485 -1.986 17821
5328 1 17 . 1 1 22 22 LYS H H 22 8.220 8.220 8.396 -0.176 17821
5329 1 17 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.438 -0.148 17821
5330 1 17 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.989 -2.889 17821
5331 1 17 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.082 -2.882 17821
5332 1 17 . 1 1 24 24 LEU N N 24 122.700 122.700 116.958 5.742 17821
5333 1 17 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.826 -0.666 17821
5334 1 17 . 1 1 24 24 LEU C C 24 174.400 174.400 175.539 -1.139 17821
5335 1 17 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.304 -1.905 17821
5336 1 17 . 1 1 24 24 LEU CB C 24 39.600 39.600 43.770 -4.170 17821
5337 1 17 . 1 1 24 24 LEU H H 24 8.270 8.270 8.134 0.136 17821
5338 1 17 . 1 1 25 25 LYS N N 25 123.400 123.400 120.333 3.067 17821
5339 1 17 . 1 1 25 25 LYS C C 25 171.600 171.600 174.035 -2.435 17821
5340 1 17 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.385 -3.485 17821
5341 1 17 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.818 -4.018 17821
5342 1 17 . 1 1 25 25 LYS H H 25 8.180 8.180 8.705 -0.525 17821
5343 1 17 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.349 -13.349 17821
5344 1 17 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.561 4.439 17821
5345 1 17 . 1 1 29 29 ALA N N 29 123.800 123.800 122.345 1.455 17821
5346 1 17 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.544 -0.394 17821
5347 1 17 . 1 1 29 29 ALA C C 29 173.200 173.200 175.873 -2.673 17821
5348 1 17 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.477 -1.777 17821
5349 1 17 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.024 -3.424 17821
5350 1 17 . 1 1 29 29 ALA H H 29 8.050 8.050 7.643 0.407 17821
5351 1 17 . 1 1 30 30 SER N N 30 112.800 112.800 116.577 -3.777 17821
5352 1 17 . 1 1 30 30 SER HA H 30 4.580 4.580 5.024 -0.444 17821
5353 1 17 . 1 1 30 30 SER C C 30 173.300 173.300 173.906 -0.606 17821
5354 1 17 . 1 1 30 30 SER CA C 30 52.600 52.600 54.825 -2.225 17821
5355 1 17 . 1 1 30 30 SER CB C 30 59.400 59.400 63.169 -3.769 17821
5356 1 17 . 1 1 30 30 SER H H 30 8.270 8.270 8.891 -0.621 17821
5357 1 17 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.257 -0.097 17821
5358 1 17 . 1 1 31 31 PRO CA C 31 61.800 61.800 65.143 -3.343 17821
5359 1 17 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.091 -2.791 17821
5360 1 17 . 1 1 32 32 GLU N N 32 119.100 119.100 117.517 1.583 17821
5361 1 17 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.976 0.084 17821
5362 1 17 . 1 1 32 32 GLU C C 32 177.300 177.300 178.228 -0.928 17821
5363 1 17 . 1 1 32 32 GLU CA C 32 56.900 56.900 60.440 -3.540 17821
5364 1 17 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.725 -2.725 17821
5365 1 17 . 1 1 32 32 GLU H H 32 8.720 8.720 8.839 -0.119 17821
5366 1 17 . 1 1 33 33 THR N N 33 110.800 110.800 112.819 -2.019 17821
5367 1 17 . 1 1 33 33 THR HA H 33 4.040 4.040 4.144 -0.104 17821
5368 1 17 . 1 1 33 33 THR C C 33 176.000 176.000 176.466 -0.466 17821
5369 1 17 . 1 1 33 33 THR CA C 33 61.700 61.700 65.568 -3.868 17821
5370 1 17 . 1 1 33 33 THR CB C 33 64.100 64.100 68.428 -4.328 17821
5371 1 17 . 1 1 33 33 THR H H 33 7.620 7.620 7.710 -0.090 17821
5372 1 17 . 1 1 34 34 LYS N N 34 127.100 127.100 123.084 4.016 17821
5373 1 17 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.871 -0.951 17821
5374 1 17 . 1 1 34 34 LYS C C 34 174.300 174.300 178.777 -4.477 17821
5375 1 17 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.990 -2.691 17821
5376 1 17 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.456 -2.456 17821
5377 1 17 . 1 1 34 34 LYS H H 34 7.740 7.740 8.213 -0.473 17821
5378 1 17 . 1 1 35 35 LYS N N 35 118.500 118.500 118.608 -0.108 17821
5379 1 17 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.347 -0.457 17821
5380 1 17 . 1 1 35 35 LYS C C 35 176.500 176.500 178.940 -2.440 17821
5381 1 17 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.586 -1.886 17821
5382 1 17 . 1 1 35 35 LYS CB C 35 29.500 29.500 32.122 -2.622 17821
5383 1 17 . 1 1 35 35 LYS H H 35 7.880 7.880 8.241 -0.361 17821
5384 1 17 . 1 1 36 36 ALA N N 36 120.100 120.100 123.402 -3.302 17821
5385 1 17 . 1 1 36 36 ALA HA H 36 4.040 4.040 3.999 0.041 17821
5386 1 17 . 1 1 36 36 ALA C C 36 177.600 177.600 178.921 -1.321 17821
5387 1 17 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.498 -3.498 17821
5388 1 17 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.507 -3.107 17821
5389 1 17 . 1 1 36 36 ALA H H 36 7.490 7.490 8.345 -0.855 17821
5390 1 17 . 1 1 37 37 ARG N N 37 118.500 118.500 118.823 -0.323 17821
5391 1 17 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.912 -0.292 17821
5392 1 17 . 1 1 37 37 ARG C C 37 174.100 174.100 177.941 -3.841 17821
5393 1 17 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.724 -3.124 17821
5394 1 17 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.032 -2.932 17821
5395 1 17 . 1 1 37 37 ARG H H 37 7.630 7.630 8.149 -0.519 17821
5396 1 17 . 1 1 38 38 ASP N N 38 120.200 120.200 119.652 0.548 17821
5397 1 17 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.313 -0.043 17821
5398 1 17 . 1 1 38 38 ASP C C 38 175.500 175.500 178.475 -2.975 17821
5399 1 17 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.295 -2.595 17821
5400 1 17 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.234 -4.034 17821
5401 1 17 . 1 1 38 38 ASP H H 38 8.680 8.680 8.314 0.366 17821
5402 1 17 . 1 1 39 39 ALA N N 39 121.100 121.100 122.364 -1.264 17821
5403 1 17 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.077 -0.067 17821
5404 1 17 . 1 1 39 39 ALA C C 39 176.800 176.800 179.669 -2.869 17821
5405 1 17 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.272 -3.172 17821
5406 1 17 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.262 -3.062 17821
5407 1 17 . 1 1 39 39 ALA H H 39 8.040 8.040 8.181 -0.141 17821
5408 1 17 . 1 1 40 40 CYS N N 40 117.600 117.600 117.930 -0.330 17821
5409 1 17 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.180 0.000 17821
5410 1 17 . 1 1 40 40 CYS C C 40 173.800 173.800 176.834 -3.034 17821
5411 1 17 . 1 1 40 40 CYS CA C 40 57.900 57.900 63.109 -5.209 17821
5412 1 17 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.017 10.383 17821
5413 1 17 . 1 1 40 40 CYS H H 40 7.340 7.340 8.327 -0.987 17821
5414 1 17 . 1 1 41 41 ILE N N 41 121.500 121.500 120.836 0.664 17821
5415 1 17 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.867 -0.817 17821
5416 1 17 . 1 1 41 41 ILE C C 41 176.100 176.100 178.221 -2.121 17821
5417 1 17 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.563 -1.163 17821
5418 1 17 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.693 -2.393 17821
5419 1 17 . 1 1 41 41 ILE H H 41 8.230 8.230 8.410 -0.180 17821
5420 1 17 . 1 1 42 42 ILE N N 42 119.200 119.200 119.837 -0.637 17821
5421 1 17 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.753 -0.063 17821
5422 1 17 . 1 1 42 42 ILE C C 42 174.200 174.200 177.881 -3.681 17821
5423 1 17 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.065 -2.765 17821
5424 1 17 . 1 1 42 42 ILE CB C 42 35.800 35.800 36.898 -1.098 17821
5425 1 17 . 1 1 42 42 ILE H H 42 7.770 7.770 8.156 -0.386 17821
5426 1 17 . 1 1 43 43 GLU N N 43 118.700 118.700 119.626 -0.926 17821
5427 1 17 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.143 -0.093 17821
5428 1 17 . 1 1 43 43 GLU C C 43 175.300 175.300 177.963 -2.663 17821
5429 1 17 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.971 -2.671 17821
5430 1 17 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.355 -2.155 17821
5431 1 17 . 1 1 43 43 GLU H H 43 7.600 7.600 8.243 -0.643 17821
5432 1 17 . 1 1 44 44 LYS N N 44 114.600 114.600 114.075 0.525 17821
5433 1 17 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.607 -0.157 17821
5434 1 17 . 1 1 44 44 LYS C C 44 174.500 174.500 175.859 -1.359 17821
5435 1 17 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.107 -2.307 17821
5436 1 17 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.271 -2.571 17821
5437 1 17 . 1 1 44 44 LYS H H 44 8.860 8.860 8.496 0.364 17821
5438 1 17 . 1 1 45 45 GLY N N 45 108.700 108.700 108.748 -0.048 17821
5439 1 17 . 1 1 45 45 GLY C C 45 171.000 171.000 174.865 -3.865 17821
5440 1 17 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.657 -3.357 17821
5441 1 17 . 1 1 45 45 GLY H H 45 7.690 7.690 7.569 0.121 17821
5442 1 17 . 1 1 46 46 GLU N N 46 120.800 120.800 120.873 -0.073 17821
5443 1 17 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.810 -0.370 17821
5444 1 17 . 1 1 46 46 GLU C C 46 175.800 175.800 178.497 -2.697 17821
5445 1 17 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.652 -1.352 17821
5446 1 17 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.499 -2.399 17821
5447 1 17 . 1 1 46 46 GLU H H 46 8.900 8.900 8.862 0.038 17821
5448 1 17 . 1 1 47 47 GLU N N 47 118.700 118.700 118.188 0.512 17821
5449 1 17 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.020 -0.080 17821
5450 1 17 . 1 1 47 47 GLU C C 47 174.300 174.300 176.970 -2.670 17821
5451 1 17 . 1 1 47 47 GLU CA C 47 55.900 55.900 58.196 -2.296 17821
5452 1 17 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.581 -3.081 17821
5453 1 17 . 1 1 47 47 GLU H H 47 9.530 9.530 8.961 0.569 17821
5454 1 17 . 1 1 48 48 HIS N N 48 117.500 117.500 114.145 3.355 17821
5455 1 17 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.779 0.091 17821
5456 1 17 . 1 1 48 48 HIS C C 48 173.300 173.300 174.614 -1.314 17821
5457 1 17 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.798 -2.698 17821
5458 1 17 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.892 -2.992 17821
5459 1 17 . 1 1 48 48 HIS H H 48 7.500 7.500 7.746 -0.246 17821
5460 1 17 . 1 1 49 49 CYS N N 49 116.100 116.100 119.891 -3.791 17821
5461 1 17 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.975 0.075 17821
5462 1 17 . 1 1 49 49 CYS C C 49 173.700 173.700 175.334 -1.634 17821
5463 1 17 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.865 -6.165 17821
5464 1 17 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.795 12.705 17821
5465 1 17 . 1 1 49 49 CYS H H 49 7.460 7.460 8.124 -0.664 17821
5466 1 17 . 1 1 50 50 GLY N N 50 112.900 112.900 109.380 3.520 17821
5467 1 17 . 1 1 50 50 GLY C C 50 172.500 172.500 175.810 -3.310 17821
5468 1 17 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.201 -1.901 17821
5469 1 17 . 1 1 50 50 GLY H H 50 9.150 9.150 8.796 0.354 17821
5470 1 17 . 1 1 51 51 HIS C C 51 175.400 175.400 176.831 -1.431 17821
5471 1 17 . 1 1 51 51 HIS CA C 51 56.400 56.400 59.367 -2.966 17821
5472 1 17 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.791 -3.791 17821
5473 1 17 . 1 1 52 52 LEU N N 52 122.000 122.000 120.713 1.287 17821
5474 1 17 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.209 -0.099 17821
5475 1 17 . 1 1 52 52 LEU C C 52 177.700 177.700 179.105 -1.405 17821
5476 1 17 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.986 -3.186 17821
5477 1 17 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.319 -1.819 17821
5478 1 17 . 1 1 52 52 LEU H H 52 6.810 6.810 8.068 -1.258 17821
5479 1 17 . 1 1 53 53 ILE N N 53 124.200 124.200 120.821 3.379 17821
5480 1 17 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.609 -0.179 17821
5481 1 17 . 1 1 53 53 ILE C C 53 176.100 176.100 178.307 -2.207 17821
5482 1 17 . 1 1 53 53 ILE CA C 53 63.200 63.200 66.110 -2.910 17821
5483 1 17 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.876 -1.976 17821
5484 1 17 . 1 1 53 53 ILE H H 53 8.170 8.170 8.360 -0.190 17821
5485 1 17 . 1 1 54 54 GLU N N 54 120.600 120.600 120.238 0.362 17821
5486 1 17 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.946 0.084 17821
5487 1 17 . 1 1 54 54 GLU C C 54 175.400 175.400 178.702 -3.302 17821
5488 1 17 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.906 -3.806 17821
5489 1 17 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.681 -3.681 17821
5490 1 17 . 1 1 54 54 GLU H H 54 8.380 8.380 8.186 0.194 17821
5491 1 17 . 1 1 55 55 ALA N N 55 120.800 120.800 121.372 -0.572 17821
5492 1 17 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.060 0.060 17821
5493 1 17 . 1 1 55 55 ALA C C 55 177.900 177.900 179.395 -1.495 17821
5494 1 17 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.273 -3.073 17821
5495 1 17 . 1 1 55 55 ALA CB C 55 15.100 15.100 17.897 -2.797 17821
5496 1 17 . 1 1 55 55 ALA H H 55 7.880 7.880 8.367 -0.487 17821
5497 1 17 . 1 1 56 56 HIS N N 56 117.400 117.400 119.308 -1.908 17821
5498 1 17 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.312 -0.012 17821
5499 1 17 . 1 1 56 56 HIS C C 56 173.500 173.500 177.472 -3.972 17821
5500 1 17 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.722 -2.722 17821
5501 1 17 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.433 -2.133 17821
5502 1 17 . 1 1 56 56 HIS H H 56 7.640 7.640 8.564 -0.924 17821
5503 1 17 . 1 1 57 57 LYS N N 57 119.200 119.200 119.036 0.164 17821
5504 1 17 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.921 -0.321 17821
5505 1 17 . 1 1 57 57 LYS C C 57 176.200 176.200 178.918 -2.718 17821
5506 1 17 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.472 -1.872 17821
5507 1 17 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.100 -2.600 17821
5508 1 17 . 1 1 57 57 LYS H H 57 7.620 7.620 8.224 -0.604 17821
5509 1 17 . 1 1 58 58 GLU N N 58 118.400 118.400 120.636 -2.236 17821
5510 1 17 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.037 -0.067 17821
5511 1 17 . 1 1 58 58 GLU C C 58 176.200 176.200 179.014 -2.814 17821
5512 1 17 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.154 -2.954 17821
5513 1 17 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.442 -3.142 17821
5514 1 17 . 1 1 58 58 GLU H H 58 8.490 8.490 8.566 -0.076 17821
5515 1 17 . 1 1 59 59 SER N N 59 116.100 116.100 116.043 0.057 17821
5516 1 17 . 1 1 59 59 SER HA H 59 4.150 4.150 4.111 0.039 17821
5517 1 17 . 1 1 59 59 SER CA C 59 58.400 58.400 61.927 -3.527 17821
5518 1 17 . 1 1 59 59 SER CB C 59 60.300 60.300 63.022 -2.722 17821
5519 1 17 . 1 1 59 59 SER H H 59 7.790 7.790 8.344 -0.554 17821
5520 1 17 . 1 1 60 60 MET N N 60 117.500 117.500 119.538 -2.038 17821
5521 1 17 . 1 1 60 60 MET HA H 60 4.170 4.170 3.930 0.240 17821
5522 1 17 . 1 1 60 60 MET C C 60 176.400 176.400 177.455 -1.055 17821
5523 1 17 . 1 1 60 60 MET CA C 60 54.400 54.400 56.510 -2.110 17821
5524 1 17 . 1 1 60 60 MET CB C 60 29.100 29.100 32.047 -2.947 17821
5525 1 17 . 1 1 60 60 MET H H 60 7.880 7.880 8.071 -0.191 17821
5526 1 17 . 1 1 61 61 ARG N N 61 121.300 121.300 120.186 1.114 17821
5527 1 17 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.906 0.264 17821
5528 1 17 . 1 1 61 61 ARG C C 61 177.500 177.500 178.227 -0.727 17821
5529 1 17 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.941 -2.841 17821
5530 1 17 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.161 -2.661 17821
5531 1 17 . 1 1 61 61 ARG H H 61 8.290 8.290 8.129 0.161 17821
5532 1 17 . 1 1 62 62 ALA N N 62 123.200 123.200 121.315 1.885 17821
5533 1 17 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.148 -0.078 17821
5534 1 17 . 1 1 62 62 ALA C C 62 176.400 176.400 179.315 -2.915 17821
5535 1 17 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.836 -2.336 17821
5536 1 17 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.436 -3.336 17821
5537 1 17 . 1 1 62 62 ALA H H 62 7.950 7.950 7.764 0.186 17821
5538 1 17 . 1 1 63 63 LEU N N 63 117.500 117.500 117.082 0.418 17821
5539 1 17 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.243 -0.043 17821
5540 1 17 . 1 1 63 63 LEU C C 63 174.400 174.400 177.815 -3.415 17821
5541 1 17 . 1 1 63 63 LEU CA C 63 52.900 52.900 55.195 -2.295 17821
5542 1 17 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.995 -1.195 17821
5543 1 17 . 1 1 63 63 LEU H H 63 7.450 7.450 7.700 -0.250 17821
5544 1 17 . 1 1 64 64 GLY N N 64 106.300 106.300 107.929 -1.629 17821
5545 1 17 . 1 1 64 64 GLY C C 64 171.400 171.400 175.580 -4.180 17821
5546 1 17 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.128 -4.028 17821
5547 1 17 . 1 1 64 64 GLY H H 64 7.780 7.780 7.513 0.267 17821
5548 1 17 . 1 1 65 65 PHE N N 65 119.800 119.800 117.856 1.944 17821
5549 1 17 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.795 -0.325 17821
5550 1 17 . 1 1 65 65 PHE C C 65 172.300 172.300 176.629 -4.329 17821
5551 1 17 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.733 -1.833 17821
5552 1 17 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.725 -1.825 17821
5553 1 17 . 1 1 65 65 PHE H H 65 7.840 7.840 7.658 0.182 17821
5554 1 17 . 1 1 66 66 LYS N N 66 124.000 124.000 122.147 1.853 17821
5555 1 17 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.245 0.015 17821
5556 1 17 . 1 1 66 66 LYS C C 66 172.200 172.200 176.484 -4.284 17821
5557 1 17 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.488 -4.288 17821
5558 1 17 . 1 1 66 66 LYS CB C 66 29.300 29.300 32.618 -3.318 17821
5559 1 17 . 1 1 66 66 LYS H H 66 8.370 8.370 7.773 0.597 17821
5560 1 18 . 1 1 4 4 THR N N 4 117.400 117.400 113.349 4.051 17821
5561 1 18 . 1 1 4 4 THR HA H 4 4.130 4.130 4.538 -0.408 17821
5562 1 18 . 1 1 4 4 THR C C 4 170.800 170.800 173.889 -3.089 17821
5563 1 18 . 1 1 4 4 THR CA C 4 58.800 58.800 61.070 -2.270 17821
5564 1 18 . 1 1 4 4 THR CB C 4 67.000 67.000 70.960 -3.960 17821
5565 1 18 . 1 1 4 4 THR H H 4 7.980 7.980 7.573 0.407 17821
5566 1 18 . 1 1 5 5 MET N N 5 124.400 124.400 121.038 3.362 17821
5567 1 18 . 1 1 5 5 MET C C 5 171.200 171.200 174.774 -3.574 17821
5568 1 18 . 1 1 5 5 MET CA C 5 50.400 50.400 54.520 -4.120 17821
5569 1 18 . 1 1 5 5 MET CB C 5 29.600 29.600 32.296 -2.696 17821
5570 1 18 . 1 1 5 5 MET H H 5 8.250 8.250 8.271 -0.021 17821
5571 1 18 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.485 -0.205 17821
5572 1 18 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.334 -2.834 17821
5573 1 18 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.990 -2.790 17821
5574 1 18 . 1 1 7 7 GLY N N 7 109.000 109.000 106.999 2.001 17821
5575 1 18 . 1 1 7 7 GLY C C 7 171.200 171.200 174.643 -3.443 17821
5576 1 18 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.593 -2.193 17821
5577 1 18 . 1 1 7 7 GLY H H 7 8.360 8.360 8.462 -0.102 17821
5578 1 18 . 1 1 8 8 LEU N N 8 121.700 121.700 123.618 -1.918 17821
5579 1 18 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.559 -0.299 17821
5580 1 18 . 1 1 8 8 LEU C C 8 174.600 174.600 176.833 -2.233 17821
5581 1 18 . 1 1 8 8 LEU CA C 8 52.300 52.300 55.252 -2.952 17821
5582 1 18 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.826 -0.426 17821
5583 1 18 . 1 1 8 8 LEU H H 8 7.920 7.920 8.183 -0.263 17821
5584 1 18 . 1 1 9 9 VAL N N 9 120.900 120.900 120.153 0.747 17821
5585 1 18 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.549 -0.569 17821
5586 1 18 . 1 1 9 9 VAL C C 9 172.900 172.900 174.704 -1.804 17821
5587 1 18 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.268 -0.868 17821
5588 1 18 . 1 1 9 9 VAL CB C 9 30.000 30.000 35.213 -5.213 17821
5589 1 18 . 1 1 9 9 VAL H H 9 8.050 8.050 7.778 0.272 17821
5590 1 18 . 1 1 10 10 ASP N N 10 124.300 124.300 121.517 2.783 17821
5591 1 18 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.898 -0.428 17821
5592 1 18 . 1 1 10 10 ASP C C 10 173.100 173.100 176.096 -2.996 17821
5593 1 18 . 1 1 10 10 ASP CA C 10 51.500 51.500 53.565 -2.065 17821
5594 1 18 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.622 -3.322 17821
5595 1 18 . 1 1 10 10 ASP H H 10 8.300 8.300 8.216 0.084 17821
5596 1 18 . 1 1 11 11 SER N N 11 116.400 116.400 116.706 -0.306 17821
5597 1 18 . 1 1 11 11 SER HA H 11 4.290 4.290 4.152 0.138 17821
5598 1 18 . 1 1 11 11 SER C C 11 171.200 171.200 173.188 -1.988 17821
5599 1 18 . 1 1 11 11 SER CA C 11 55.500 55.500 58.519 -3.019 17821
5600 1 18 . 1 1 11 11 SER CB C 11 60.900 60.900 63.664 -2.764 17821
5601 1 18 . 1 1 11 11 SER H H 11 8.130 8.130 8.457 -0.327 17821
5602 1 18 . 1 1 12 12 ASN N N 12 121.600 121.600 120.206 1.394 17821
5603 1 18 . 1 1 12 12 ASN HA H 12 4.230 4.230 5.018 -0.788 17821
5604 1 18 . 1 1 12 12 ASN C C 12 170.000 170.000 172.792 -2.792 17821
5605 1 18 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.224 5.276 17821
5606 1 18 . 1 1 12 12 ASN CB C 12 36.000 36.000 39.024 -3.024 17821
5607 1 18 . 1 1 12 12 ASN H H 12 8.360 8.360 8.274 0.086 17821
5608 1 18 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.316 -0.026 17821
5609 1 18 . 1 1 13 13 PRO CA C 13 60.300 60.300 63.209 -2.909 17821
5610 1 18 . 1 1 13 13 PRO CB C 13 29.200 29.200 31.947 -2.747 17821
5611 1 18 . 1 1 14 14 ALA N N 14 125.700 125.700 125.792 -0.092 17821
5612 1 18 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.258 0.152 17821
5613 1 18 . 1 1 14 14 ALA C C 14 172.200 172.200 175.669 -3.469 17821
5614 1 18 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.558 -4.058 17821
5615 1 18 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.088 -2.988 17821
5616 1 18 . 1 1 14 14 ALA H H 14 8.260 8.260 8.179 0.081 17821
5617 1 18 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.601 -0.321 17821
5618 1 18 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.940 -2.440 17821
5619 1 18 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.636 -3.436 17821
5620 1 18 . 1 1 17 17 GLU N N 17 120.600 120.600 119.198 1.402 17821
5621 1 18 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.837 -0.717 17821
5622 1 18 . 1 1 17 17 GLU C C 17 173.900 173.900 174.940 -1.040 17821
5623 1 18 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.350 -1.250 17821
5624 1 18 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.697 -4.597 17821
5625 1 18 . 1 1 17 17 GLU H H 17 8.550 8.550 8.909 -0.359 17821
5626 1 18 . 1 1 18 18 SER N N 18 116.400 116.400 114.791 1.609 17821
5627 1 18 . 1 1 18 18 SER HA H 18 4.310 4.310 4.712 -0.402 17821
5628 1 18 . 1 1 18 18 SER C C 18 171.900 171.900 173.450 -1.550 17821
5629 1 18 . 1 1 18 18 SER CA C 18 55.600 55.600 57.378 -1.778 17821
5630 1 18 . 1 1 18 18 SER CB C 18 60.800 60.800 66.155 -5.355 17821
5631 1 18 . 1 1 18 18 SER H H 18 8.240 8.240 8.741 -0.501 17821
5632 1 18 . 1 1 19 19 GLN N N 19 122.300 122.300 120.682 1.618 17821
5633 1 18 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.401 -0.201 17821
5634 1 18 . 1 1 19 19 GLN C C 19 173.100 173.100 175.403 -2.303 17821
5635 1 18 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.687 -2.687 17821
5636 1 18 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.899 -2.399 17821
5637 1 18 . 1 1 19 19 GLN H H 19 8.310 8.310 8.627 -0.317 17821
5638 1 18 . 1 1 20 20 GLU N N 20 121.600 121.600 121.483 0.117 17821
5639 1 18 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.392 -0.102 17821
5640 1 18 . 1 1 20 20 GLU C C 20 173.500 173.500 176.237 -2.737 17821
5641 1 18 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.107 -2.207 17821
5642 1 18 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.507 -3.107 17821
5643 1 18 . 1 1 20 20 GLU H H 20 8.240 8.240 8.049 0.191 17821
5644 1 18 . 1 1 21 21 LYS N N 21 122.900 122.900 122.412 0.488 17821
5645 1 18 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.410 -0.230 17821
5646 1 18 . 1 1 21 21 LYS C C 21 173.400 173.400 175.928 -2.528 17821
5647 1 18 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.339 -3.039 17821
5648 1 18 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.181 -3.381 17821
5649 1 18 . 1 1 21 21 LYS H H 21 8.260 8.260 8.403 -0.143 17821
5650 1 18 . 1 1 22 22 LYS N N 22 124.000 124.000 123.012 0.988 17821
5651 1 18 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.678 -0.228 17821
5652 1 18 . 1 1 22 22 LYS C C 22 171.500 171.500 174.926 -3.426 17821
5653 1 18 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.926 -2.726 17821
5654 1 18 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.546 -3.046 17821
5655 1 18 . 1 1 22 22 LYS H H 22 8.220 8.220 8.273 -0.053 17821
5656 1 18 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.587 -0.297 17821
5657 1 18 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.585 -2.485 17821
5658 1 18 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.219 -3.019 17821
5659 1 18 . 1 1 24 24 LEU N N 24 122.700 122.700 121.759 0.941 17821
5660 1 18 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.431 -0.271 17821
5661 1 18 . 1 1 24 24 LEU C C 24 174.400 174.400 176.810 -2.410 17821
5662 1 18 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.165 -2.765 17821
5663 1 18 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.434 -2.834 17821
5664 1 18 . 1 1 24 24 LEU H H 24 8.270 8.270 8.291 -0.021 17821
5665 1 18 . 1 1 25 25 LYS N N 25 123.400 123.400 126.469 -3.069 17821
5666 1 18 . 1 1 25 25 LYS C C 25 171.600 171.600 174.943 -3.343 17821
5667 1 18 . 1 1 25 25 LYS CA C 25 50.900 50.900 55.014 -4.114 17821
5668 1 18 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.602 -2.801 17821
5669 1 18 . 1 1 25 25 LYS H H 25 8.180 8.180 8.362 -0.182 17821
5670 1 18 . 1 1 28 28 CYS CA C 28 46.000 46.000 60.756 -14.756 17821
5671 1 18 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.077 4.923 17821
5672 1 18 . 1 1 29 29 ALA N N 29 123.800 123.800 120.364 3.436 17821
5673 1 18 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.543 -0.393 17821
5674 1 18 . 1 1 29 29 ALA C C 29 173.200 173.200 176.437 -3.237 17821
5675 1 18 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.547 -1.847 17821
5676 1 18 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.850 -3.250 17821
5677 1 18 . 1 1 29 29 ALA H H 29 8.050 8.050 7.463 0.587 17821
5678 1 18 . 1 1 30 30 SER N N 30 112.800 112.800 116.644 -3.844 17821
5679 1 18 . 1 1 30 30 SER HA H 30 4.580 4.580 4.898 -0.318 17821
5680 1 18 . 1 1 30 30 SER C C 30 173.300 173.300 174.449 -1.149 17821
5681 1 18 . 1 1 30 30 SER CA C 30 52.600 52.600 55.213 -2.613 17821
5682 1 18 . 1 1 30 30 SER CB C 30 59.400 59.400 63.238 -3.838 17821
5683 1 18 . 1 1 30 30 SER H H 30 8.270 8.270 8.548 -0.278 17821
5684 1 18 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.218 -0.058 17821
5685 1 18 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.862 -3.062 17821
5686 1 18 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.032 -2.732 17821
5687 1 18 . 1 1 32 32 GLU N N 32 119.100 119.100 118.343 0.757 17821
5688 1 18 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.980 0.080 17821
5689 1 18 . 1 1 32 32 GLU C C 32 177.300 177.300 178.321 -1.021 17821
5690 1 18 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.933 -3.033 17821
5691 1 18 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.788 -2.788 17821
5692 1 18 . 1 1 32 32 GLU H H 32 8.720 8.720 8.896 -0.176 17821
5693 1 18 . 1 1 33 33 THR N N 33 110.800 110.800 111.205 -0.405 17821
5694 1 18 . 1 1 33 33 THR HA H 33 4.040 4.040 3.936 0.104 17821
5695 1 18 . 1 1 33 33 THR C C 33 176.000 176.000 176.082 -0.082 17821
5696 1 18 . 1 1 33 33 THR CA C 33 61.700 61.700 65.188 -3.488 17821
5697 1 18 . 1 1 33 33 THR CB C 33 64.100 64.100 67.810 -3.710 17821
5698 1 18 . 1 1 33 33 THR H H 33 7.620 7.620 7.982 -0.362 17821
5699 1 18 . 1 1 34 34 LYS N N 34 127.100 127.100 122.411 4.689 17821
5700 1 18 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.855 -0.935 17821
5701 1 18 . 1 1 34 34 LYS C C 34 174.300 174.300 178.666 -4.366 17821
5702 1 18 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.745 -2.445 17821
5703 1 18 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.297 -2.297 17821
5704 1 18 . 1 1 34 34 LYS H H 34 7.740 7.740 7.321 0.419 17821
5705 1 18 . 1 1 35 35 LYS N N 35 118.500 118.500 119.150 -0.650 17821
5706 1 18 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.016 -0.126 17821
5707 1 18 . 1 1 35 35 LYS C C 35 176.500 176.500 179.051 -2.551 17821
5708 1 18 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.902 -2.202 17821
5709 1 18 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.985 -2.485 17821
5710 1 18 . 1 1 35 35 LYS H H 35 7.880 7.880 8.156 -0.276 17821
5711 1 18 . 1 1 36 36 ALA N N 36 120.100 120.100 121.612 -1.512 17821
5712 1 18 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.077 -0.037 17821
5713 1 18 . 1 1 36 36 ALA C C 36 177.600 177.600 179.406 -1.806 17821
5714 1 18 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.121 -3.121 17821
5715 1 18 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.528 -3.128 17821
5716 1 18 . 1 1 36 36 ALA H H 36 7.490 7.490 8.393 -0.903 17821
5717 1 18 . 1 1 37 37 ARG N N 37 118.500 118.500 119.473 -0.973 17821
5718 1 18 . 1 1 37 37 ARG HA H 37 3.620 3.620 4.135 -0.514 17821
5719 1 18 . 1 1 37 37 ARG C C 37 174.100 174.100 177.870 -3.770 17821
5720 1 18 . 1 1 37 37 ARG CA C 37 56.600 56.600 58.954 -2.354 17821
5721 1 18 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.999 -2.899 17821
5722 1 18 . 1 1 37 37 ARG H H 37 7.630 7.630 8.535 -0.905 17821
5723 1 18 . 1 1 38 38 ASP N N 38 120.200 120.200 119.300 0.900 17821
5724 1 18 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.429 -0.159 17821
5725 1 18 . 1 1 38 38 ASP C C 38 175.500 175.500 178.430 -2.930 17821
5726 1 18 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.594 -2.894 17821
5727 1 18 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.729 -4.529 17821
5728 1 18 . 1 1 38 38 ASP H H 38 8.680 8.680 8.178 0.502 17821
5729 1 18 . 1 1 39 39 ALA N N 39 121.100 121.100 121.472 -0.372 17821
5730 1 18 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.131 -0.121 17821
5731 1 18 . 1 1 39 39 ALA C C 39 176.800 176.800 179.297 -2.497 17821
5732 1 18 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.120 -3.020 17821
5733 1 18 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.206 -3.006 17821
5734 1 18 . 1 1 39 39 ALA H H 39 8.040 8.040 8.343 -0.303 17821
5735 1 18 . 1 1 40 40 CYS N N 40 117.600 117.600 118.520 -0.920 17821
5736 1 18 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.137 0.043 17821
5737 1 18 . 1 1 40 40 CYS C C 40 173.800 173.800 176.763 -2.963 17821
5738 1 18 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.277 -4.377 17821
5739 1 18 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.921 10.479 17821
5740 1 18 . 1 1 40 40 CYS H H 40 7.340 7.340 8.051 -0.711 17821
5741 1 18 . 1 1 41 41 ILE N N 41 121.500 121.500 121.295 0.205 17821
5742 1 18 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.733 -0.683 17821
5743 1 18 . 1 1 41 41 ILE C C 41 176.100 176.100 178.268 -2.168 17821
5744 1 18 . 1 1 41 41 ILE CA C 41 63.400 63.400 65.096 -1.696 17821
5745 1 18 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.880 -2.580 17821
5746 1 18 . 1 1 41 41 ILE H H 41 8.230 8.230 8.456 -0.226 17821
5747 1 18 . 1 1 42 42 ILE N N 42 119.200 119.200 119.413 -0.213 17821
5748 1 18 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.669 0.021 17821
5749 1 18 . 1 1 42 42 ILE C C 42 174.200 174.200 177.931 -3.731 17821
5750 1 18 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.825 -3.525 17821
5751 1 18 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.972 -2.172 17821
5752 1 18 . 1 1 42 42 ILE H H 42 7.770 7.770 7.883 -0.113 17821
5753 1 18 . 1 1 43 43 GLU N N 43 118.700 118.700 118.571 0.129 17821
5754 1 18 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.199 -0.149 17821
5755 1 18 . 1 1 43 43 GLU C C 43 175.300 175.300 177.766 -2.466 17821
5756 1 18 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.638 -2.337 17821
5757 1 18 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.369 -2.169 17821
5758 1 18 . 1 1 43 43 GLU H H 43 7.600 7.600 8.162 -0.562 17821
5759 1 18 . 1 1 44 44 LYS N N 44 114.600 114.600 114.829 -0.229 17821
5760 1 18 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.500 -0.050 17821
5761 1 18 . 1 1 44 44 LYS C C 44 174.500 174.500 175.588 -1.088 17821
5762 1 18 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.140 -2.340 17821
5763 1 18 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.172 -2.472 17821
5764 1 18 . 1 1 44 44 LYS H H 44 8.860 8.860 8.509 0.351 17821
5765 1 18 . 1 1 45 45 GLY N N 45 108.700 108.700 108.178 0.522 17821
5766 1 18 . 1 1 45 45 GLY C C 45 171.000 171.000 175.144 -4.144 17821
5767 1 18 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.796 -3.496 17821
5768 1 18 . 1 1 45 45 GLY H H 45 7.690 7.690 7.521 0.169 17821
5769 1 18 . 1 1 46 46 GLU N N 46 120.800 120.800 121.520 -0.720 17821
5770 1 18 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.958 -0.518 17821
5771 1 18 . 1 1 46 46 GLU C C 46 175.800 175.800 177.898 -2.098 17821
5772 1 18 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.846 -1.546 17821
5773 1 18 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.596 -2.496 17821
5774 1 18 . 1 1 46 46 GLU H H 46 8.900 8.900 8.911 -0.011 17821
5775 1 18 . 1 1 47 47 GLU N N 47 118.700 118.700 116.570 2.130 17821
5776 1 18 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.199 -0.259 17821
5777 1 18 . 1 1 47 47 GLU C C 47 174.300 174.300 177.215 -2.915 17821
5778 1 18 . 1 1 47 47 GLU CA C 47 55.900 55.900 56.431 -0.530 17821
5779 1 18 . 1 1 47 47 GLU CB C 47 25.500 25.500 29.389 -3.889 17821
5780 1 18 . 1 1 47 47 GLU H H 47 9.530 9.530 8.659 0.871 17821
5781 1 18 . 1 1 48 48 HIS N N 48 117.500 117.500 116.834 0.666 17821
5782 1 18 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.875 -0.005 17821
5783 1 18 . 1 1 48 48 HIS C C 48 173.300 173.300 175.074 -1.774 17821
5784 1 18 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.732 -2.632 17821
5785 1 18 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.568 -1.668 17821
5786 1 18 . 1 1 48 48 HIS H H 48 7.500 7.500 7.627 -0.127 17821
5787 1 18 . 1 1 49 49 CYS N N 49 116.100 116.100 119.987 -3.887 17821
5788 1 18 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.921 0.129 17821
5789 1 18 . 1 1 49 49 CYS C C 49 173.700 173.700 175.954 -2.254 17821
5790 1 18 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.575 -5.875 17821
5791 1 18 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.684 12.816 17821
5792 1 18 . 1 1 49 49 CYS H H 49 7.460 7.460 8.388 -0.928 17821
5793 1 18 . 1 1 50 50 GLY N N 50 112.900 112.900 110.414 2.486 17821
5794 1 18 . 1 1 50 50 GLY C C 50 172.500 172.500 175.895 -3.395 17821
5795 1 18 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.219 -1.919 17821
5796 1 18 . 1 1 50 50 GLY H H 50 9.150 9.150 8.815 0.335 17821
5797 1 18 . 1 1 51 51 HIS C C 51 175.400 175.400 177.146 -1.746 17821
5798 1 18 . 1 1 51 51 HIS CA C 51 56.400 56.400 59.039 -2.639 17821
5799 1 18 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.828 -3.828 17821
5800 1 18 . 1 1 52 52 LEU N N 52 122.000 122.000 120.917 1.083 17821
5801 1 18 . 1 1 52 52 LEU HA H 52 4.110 4.110 3.928 0.182 17821
5802 1 18 . 1 1 52 52 LEU C C 52 177.700 177.700 178.670 -0.970 17821
5803 1 18 . 1 1 52 52 LEU CA C 52 53.800 53.800 56.855 -3.055 17821
5804 1 18 . 1 1 52 52 LEU CB C 52 39.500 39.500 40.861 -1.361 17821
5805 1 18 . 1 1 52 52 LEU H H 52 6.810 6.810 7.682 -0.872 17821
5806 1 18 . 1 1 53 53 ILE N N 53 124.200 124.200 119.335 4.865 17821
5807 1 18 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.559 -0.129 17821
5808 1 18 . 1 1 53 53 ILE C C 53 176.100 176.100 178.323 -2.223 17821
5809 1 18 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.571 -2.371 17821
5810 1 18 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.663 -1.763 17821
5811 1 18 . 1 1 53 53 ILE H H 53 8.170 8.170 8.074 0.096 17821
5812 1 18 . 1 1 54 54 GLU N N 54 120.600 120.600 120.373 0.227 17821
5813 1 18 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.865 0.165 17821
5814 1 18 . 1 1 54 54 GLU C C 54 175.400 175.400 178.597 -3.197 17821
5815 1 18 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.880 -3.780 17821
5816 1 18 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.524 -3.524 17821
5817 1 18 . 1 1 54 54 GLU H H 54 8.380 8.380 8.043 0.337 17821
5818 1 18 . 1 1 55 55 ALA N N 55 120.800 120.800 121.607 -0.807 17821
5819 1 18 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.036 0.084 17821
5820 1 18 . 1 1 55 55 ALA C C 55 177.900 177.900 179.831 -1.931 17821
5821 1 18 . 1 1 55 55 ALA CA C 55 52.200 52.200 54.938 -2.738 17821
5822 1 18 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.459 -3.359 17821
5823 1 18 . 1 1 55 55 ALA H H 55 7.880 7.880 7.763 0.117 17821
5824 1 18 . 1 1 56 56 HIS N N 56 117.400 117.400 116.754 0.646 17821
5825 1 18 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.328 -0.028 17821
5826 1 18 . 1 1 56 56 HIS C C 56 173.500 173.500 177.849 -4.349 17821
5827 1 18 . 1 1 56 56 HIS CA C 56 57.000 57.000 58.035 -1.034 17821
5828 1 18 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.103 -1.803 17821
5829 1 18 . 1 1 56 56 HIS H H 56 7.640 7.640 7.973 -0.333 17821
5830 1 18 . 1 1 57 57 LYS N N 57 119.200 119.200 120.818 -1.618 17821
5831 1 18 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.032 -0.432 17821
5832 1 18 . 1 1 57 57 LYS C C 57 176.200 176.200 178.726 -2.526 17821
5833 1 18 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.777 -2.177 17821
5834 1 18 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.129 -2.629 17821
5835 1 18 . 1 1 57 57 LYS H H 57 7.620 7.620 8.576 -0.956 17821
5836 1 18 . 1 1 58 58 GLU N N 58 118.400 118.400 120.245 -1.845 17821
5837 1 18 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.057 -0.087 17821
5838 1 18 . 1 1 58 58 GLU C C 58 176.200 176.200 179.068 -2.868 17821
5839 1 18 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.911 -2.711 17821
5840 1 18 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.300 -3.000 17821
5841 1 18 . 1 1 58 58 GLU H H 58 8.490 8.490 8.275 0.215 17821
5842 1 18 . 1 1 59 59 SER N N 59 116.100 116.100 115.747 0.353 17821
5843 1 18 . 1 1 59 59 SER HA H 59 4.150 4.150 4.221 -0.071 17821
5844 1 18 . 1 1 59 59 SER CA C 59 58.400 58.400 61.436 -3.036 17821
5845 1 18 . 1 1 59 59 SER CB C 59 60.300 60.300 63.316 -3.015 17821
5846 1 18 . 1 1 59 59 SER H H 59 7.790 7.790 8.316 -0.526 17821
5847 1 18 . 1 1 60 60 MET N N 60 117.500 117.500 118.779 -1.279 17821
5848 1 18 . 1 1 60 60 MET HA H 60 4.170 4.170 4.249 -0.079 17821
5849 1 18 . 1 1 60 60 MET C C 60 176.400 176.400 178.312 -1.912 17821
5850 1 18 . 1 1 60 60 MET CA C 60 54.400 54.400 56.254 -1.854 17821
5851 1 18 . 1 1 60 60 MET CB C 60 29.100 29.100 32.603 -3.503 17821
5852 1 18 . 1 1 60 60 MET H H 60 7.880 7.880 7.880 0.000 17821
5853 1 18 . 1 1 61 61 ARG N N 61 121.300 121.300 121.336 -0.036 17821
5854 1 18 . 1 1 61 61 ARG HA H 61 4.170 4.170 4.000 0.170 17821
5855 1 18 . 1 1 61 61 ARG C C 61 177.500 177.500 177.787 -0.287 17821
5856 1 18 . 1 1 61 61 ARG CA C 61 56.100 56.100 58.950 -2.850 17821
5857 1 18 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.146 -2.646 17821
5858 1 18 . 1 1 61 61 ARG H H 61 8.290 8.290 8.450 -0.160 17821
5859 1 18 . 1 1 62 62 ALA N N 62 123.200 123.200 121.362 1.838 17821
5860 1 18 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.125 -0.055 17821
5861 1 18 . 1 1 62 62 ALA C C 62 176.400 176.400 178.867 -2.467 17821
5862 1 18 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.815 -2.315 17821
5863 1 18 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.356 -3.256 17821
5864 1 18 . 1 1 62 62 ALA H H 62 7.950 7.950 7.710 0.240 17821
5865 1 18 . 1 1 63 63 LEU N N 63 117.500 117.500 117.153 0.347 17821
5866 1 18 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.191 0.010 17821
5867 1 18 . 1 1 63 63 LEU C C 63 174.400 174.400 177.443 -3.043 17821
5868 1 18 . 1 1 63 63 LEU CA C 63 52.900 52.900 55.045 -2.145 17821
5869 1 18 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.293 -1.493 17821
5870 1 18 . 1 1 63 63 LEU H H 63 7.450 7.450 7.559 -0.109 17821
5871 1 18 . 1 1 64 64 GLY N N 64 106.300 106.300 107.424 -1.124 17821
5872 1 18 . 1 1 64 64 GLY C C 64 171.400 171.400 174.754 -3.354 17821
5873 1 18 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.406 -3.305 17821
5874 1 18 . 1 1 64 64 GLY H H 64 7.780 7.780 7.585 0.195 17821
5875 1 18 . 1 1 65 65 PHE N N 65 119.800 119.800 116.005 3.795 17821
5876 1 18 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.877 -0.407 17821
5877 1 18 . 1 1 65 65 PHE C C 65 172.300 172.300 174.909 -2.609 17821
5878 1 18 . 1 1 65 65 PHE CA C 65 54.900 54.900 56.756 -1.856 17821
5879 1 18 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.784 -1.884 17821
5880 1 18 . 1 1 65 65 PHE H H 65 7.840 7.840 7.390 0.450 17821
5881 1 18 . 1 1 66 66 LYS N N 66 124.000 124.000 121.090 2.910 17821
5882 1 18 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.423 -0.163 17821
5883 1 18 . 1 1 66 66 LYS C C 66 172.200 172.200 175.558 -3.358 17821
5884 1 18 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.931 -3.731 17821
5885 1 18 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.368 -4.068 17821
5886 1 18 . 1 1 66 66 LYS H H 66 8.370 8.370 8.310 0.060 17821
5887 1 19 . 1 1 4 4 THR N N 4 117.400 117.400 125.918 -8.518 17821
5888 1 19 . 1 1 4 4 THR HA H 4 4.130 4.130 4.187 -0.057 17821
5889 1 19 . 1 1 4 4 THR C C 4 170.800 170.800 173.667 -2.867 17821
5890 1 19 . 1 1 4 4 THR CA C 4 58.800 58.800 61.749 -2.949 17821
5891 1 19 . 1 1 4 4 THR CB C 4 67.000 67.000 66.939 0.061 17821
5892 1 19 . 1 1 4 4 THR H H 4 7.980 7.980 8.455 -0.475 17821
5893 1 19 . 1 1 5 5 MET N N 5 124.400 124.400 121.964 2.436 17821
5894 1 19 . 1 1 5 5 MET C C 5 171.200 171.200 173.994 -2.794 17821
5895 1 19 . 1 1 5 5 MET CA C 5 50.400 50.400 54.067 -3.667 17821
5896 1 19 . 1 1 5 5 MET CB C 5 29.600 29.600 30.758 -1.158 17821
5897 1 19 . 1 1 5 5 MET H H 5 8.250 8.250 7.302 0.948 17821
5898 1 19 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.232 0.048 17821
5899 1 19 . 1 1 6 6 PRO CA C 6 60.500 60.500 64.780 -4.280 17821
5900 1 19 . 1 1 6 6 PRO CB C 6 29.200 29.200 31.439 -2.239 17821
5901 1 19 . 1 1 7 7 GLY N N 7 109.000 109.000 109.695 -0.695 17821
5902 1 19 . 1 1 7 7 GLY C C 7 171.200 171.200 174.705 -3.505 17821
5903 1 19 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.189 -2.789 17821
5904 1 19 . 1 1 7 7 GLY H H 7 8.360 8.360 8.545 -0.185 17821
5905 1 19 . 1 1 8 8 LEU N N 8 121.700 121.700 123.416 -1.716 17821
5906 1 19 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.379 -0.119 17821
5907 1 19 . 1 1 8 8 LEU C C 8 174.600 174.600 175.874 -1.274 17821
5908 1 19 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.611 -2.311 17821
5909 1 19 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.800 -1.400 17821
5910 1 19 . 1 1 8 8 LEU H H 8 7.920 7.920 7.641 0.280 17821
5911 1 19 . 1 1 9 9 VAL N N 9 120.900 120.900 119.516 1.384 17821
5912 1 19 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.371 -0.391 17821
5913 1 19 . 1 1 9 9 VAL C C 9 172.900 172.900 175.028 -2.128 17821
5914 1 19 . 1 1 9 9 VAL CA C 9 59.400 59.400 60.305 -0.905 17821
5915 1 19 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.921 -3.921 17821
5916 1 19 . 1 1 9 9 VAL H H 9 8.050 8.050 7.527 0.523 17821
5917 1 19 . 1 1 10 10 ASP N N 10 124.300 124.300 124.387 -0.087 17821
5918 1 19 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.694 -0.224 17821
5919 1 19 . 1 1 10 10 ASP C C 10 173.100 173.100 175.718 -2.618 17821
5920 1 19 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.378 -2.878 17821
5921 1 19 . 1 1 10 10 ASP CB C 10 38.300 38.300 41.243 -2.943 17821
5922 1 19 . 1 1 10 10 ASP H H 10 8.300 8.300 8.395 -0.095 17821
5923 1 19 . 1 1 11 11 SER N N 11 116.400 116.400 119.597 -3.197 17821
5924 1 19 . 1 1 11 11 SER HA H 11 4.290 4.290 4.403 -0.113 17821
5925 1 19 . 1 1 11 11 SER C C 11 171.200 171.200 173.898 -2.698 17821
5926 1 19 . 1 1 11 11 SER CA C 11 55.500 55.500 58.621 -3.122 17821
5927 1 19 . 1 1 11 11 SER CB C 11 60.900 60.900 63.963 -3.063 17821
5928 1 19 . 1 1 11 11 SER H H 11 8.130 8.130 8.548 -0.418 17821
5929 1 19 . 1 1 12 12 ASN N N 12 121.600 121.600 119.268 2.332 17821
5930 1 19 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.572 -0.342 17821
5931 1 19 . 1 1 12 12 ASN C C 12 170.000 170.000 173.462 -3.462 17821
5932 1 19 . 1 1 12 12 ASN CA C 12 56.500 56.500 53.165 3.335 17821
5933 1 19 . 1 1 12 12 ASN CB C 12 36.000 36.000 37.660 -1.660 17821
5934 1 19 . 1 1 12 12 ASN H H 12 8.360 8.360 8.490 -0.130 17821
5935 1 19 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.561 -0.271 17821
5936 1 19 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.944 -2.644 17821
5937 1 19 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.483 -3.284 17821
5938 1 19 . 1 1 14 14 ALA N N 14 125.700 125.700 125.294 0.406 17821
5939 1 19 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.408 0.002 17821
5940 1 19 . 1 1 14 14 ALA C C 14 172.200 172.200 176.115 -3.915 17821
5941 1 19 . 1 1 14 14 ALA CA C 14 47.500 47.500 50.875 -3.375 17821
5942 1 19 . 1 1 14 14 ALA CB C 14 15.100 15.100 17.957 -2.857 17821
5943 1 19 . 1 1 14 14 ALA H H 14 8.260 8.260 8.179 0.081 17821
5944 1 19 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.607 -0.327 17821
5945 1 19 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.029 -2.529 17821
5946 1 19 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.567 -3.367 17821
5947 1 19 . 1 1 17 17 GLU N N 17 120.600 120.600 121.332 -0.732 17821
5948 1 19 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.324 -0.204 17821
5949 1 19 . 1 1 17 17 GLU C C 17 173.900 173.900 176.312 -2.412 17821
5950 1 19 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.922 -2.822 17821
5951 1 19 . 1 1 17 17 GLU CB C 17 27.100 27.100 29.948 -2.848 17821
5952 1 19 . 1 1 17 17 GLU H H 17 8.550 8.550 8.666 -0.116 17821
5953 1 19 . 1 1 18 18 SER N N 18 116.400 116.400 114.919 1.481 17821
5954 1 19 . 1 1 18 18 SER HA H 18 4.310 4.310 4.371 -0.061 17821
5955 1 19 . 1 1 18 18 SER C C 18 171.900 171.900 174.461 -2.561 17821
5956 1 19 . 1 1 18 18 SER CA C 18 55.600 55.600 58.240 -2.640 17821
5957 1 19 . 1 1 18 18 SER CB C 18 60.800 60.800 63.807 -3.007 17821
5958 1 19 . 1 1 18 18 SER H H 18 8.240 8.240 7.749 0.491 17821
5959 1 19 . 1 1 19 19 GLN N N 19 122.300 122.300 122.365 -0.065 17821
5960 1 19 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.163 0.037 17821
5961 1 19 . 1 1 19 19 GLN C C 19 173.100 173.100 175.759 -2.659 17821
5962 1 19 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.116 -3.116 17821
5963 1 19 . 1 1 19 19 GLN CB C 19 26.500 26.500 28.395 -1.895 17821
5964 1 19 . 1 1 19 19 GLN H H 19 8.310 8.310 8.413 -0.103 17821
5965 1 19 . 1 1 20 20 GLU N N 20 121.600 121.600 119.045 2.555 17821
5966 1 19 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.131 0.159 17821
5967 1 19 . 1 1 20 20 GLU C C 20 173.500 173.500 176.330 -2.830 17821
5968 1 19 . 1 1 20 20 GLU CA C 20 53.900 53.900 57.287 -3.387 17821
5969 1 19 . 1 1 20 20 GLU CB C 20 27.400 27.400 29.992 -2.592 17821
5970 1 19 . 1 1 20 20 GLU H H 20 8.240 8.240 8.586 -0.346 17821
5971 1 19 . 1 1 21 21 LYS N N 21 122.900 122.900 118.636 4.264 17821
5972 1 19 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.345 -0.165 17821
5973 1 19 . 1 1 21 21 LYS C C 21 173.400 173.400 174.745 -1.345 17821
5974 1 19 . 1 1 21 21 LYS CA C 21 53.300 53.300 55.526 -2.226 17821
5975 1 19 . 1 1 21 21 LYS CB C 21 29.800 29.800 34.098 -4.298 17821
5976 1 19 . 1 1 21 21 LYS H H 21 8.260 8.260 7.545 0.715 17821
5977 1 19 . 1 1 22 22 LYS N N 22 124.000 124.000 124.638 -0.638 17821
5978 1 19 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.543 -0.093 17821
5979 1 19 . 1 1 22 22 LYS C C 22 171.500 171.500 175.450 -3.950 17821
5980 1 19 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.067 -2.867 17821
5981 1 19 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.513 -3.013 17821
5982 1 19 . 1 1 22 22 LYS H H 22 8.220 8.220 8.510 -0.290 17821
5983 1 19 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.601 -0.311 17821
5984 1 19 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.086 -1.986 17821
5985 1 19 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.908 -3.708 17821
5986 1 19 . 1 1 24 24 LEU N N 24 122.700 122.700 121.992 0.708 17821
5987 1 19 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.266 -0.106 17821
5988 1 19 . 1 1 24 24 LEU C C 24 174.400 174.400 176.761 -2.361 17821
5989 1 19 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.228 -2.828 17821
5990 1 19 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.966 -3.366 17821
5991 1 19 . 1 1 24 24 LEU H H 24 8.270 8.270 8.447 -0.177 17821
5992 1 19 . 1 1 25 25 LYS N N 25 123.400 123.400 125.570 -2.170 17821
5993 1 19 . 1 1 25 25 LYS C C 25 171.600 171.600 174.632 -3.032 17821
5994 1 19 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.725 -3.825 17821
5995 1 19 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.124 -2.324 17821
5996 1 19 . 1 1 25 25 LYS H H 25 8.180 8.180 8.489 -0.309 17821
5997 1 19 . 1 1 28 28 CYS CA C 28 46.000 46.000 58.860 -12.860 17821
5998 1 19 . 1 1 28 28 CYS CB C 28 31.000 31.000 28.964 2.036 17821
5999 1 19 . 1 1 29 29 ALA N N 29 123.800 123.800 122.671 1.129 17821
6000 1 19 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.568 -0.418 17821
6001 1 19 . 1 1 29 29 ALA C C 29 173.200 173.200 175.384 -2.184 17821
6002 1 19 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.854 -2.154 17821
6003 1 19 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.091 -3.491 17821
6004 1 19 . 1 1 29 29 ALA H H 29 8.050 8.050 7.507 0.543 17821
6005 1 19 . 1 1 30 30 SER N N 30 112.800 112.800 114.702 -1.902 17821
6006 1 19 . 1 1 30 30 SER HA H 30 4.580 4.580 5.036 -0.456 17821
6007 1 19 . 1 1 30 30 SER C C 30 173.300 173.300 173.629 -0.329 17821
6008 1 19 . 1 1 30 30 SER CA C 30 52.600 52.600 54.462 -1.862 17821
6009 1 19 . 1 1 30 30 SER CB C 30 59.400 59.400 63.196 -3.796 17821
6010 1 19 . 1 1 30 30 SER H H 30 8.270 8.270 8.895 -0.625 17821
6011 1 19 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.324 -0.164 17821
6012 1 19 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.815 -3.015 17821
6013 1 19 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.806 -2.506 17821
6014 1 19 . 1 1 32 32 GLU N N 32 119.100 119.100 117.711 1.389 17821
6015 1 19 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.082 -0.022 17821
6016 1 19 . 1 1 32 32 GLU C C 32 177.300 177.300 178.514 -1.214 17821
6017 1 19 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.759 -2.859 17821
6018 1 19 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.498 -2.498 17821
6019 1 19 . 1 1 32 32 GLU H H 32 8.720 8.720 9.007 -0.287 17821
6020 1 19 . 1 1 33 33 THR N N 33 110.800 110.800 113.269 -2.469 17821
6021 1 19 . 1 1 33 33 THR HA H 33 4.040 4.040 4.053 -0.013 17821
6022 1 19 . 1 1 33 33 THR C C 33 176.000 176.000 176.496 -0.496 17821
6023 1 19 . 1 1 33 33 THR CA C 33 61.700 61.700 65.822 -4.122 17821
6024 1 19 . 1 1 33 33 THR CB C 33 64.100 64.100 68.656 -4.556 17821
6025 1 19 . 1 1 33 33 THR H H 33 7.620 7.620 7.954 -0.334 17821
6026 1 19 . 1 1 34 34 LYS N N 34 127.100 127.100 122.450 4.650 17821
6027 1 19 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.900 -0.980 17821
6028 1 19 . 1 1 34 34 LYS C C 34 174.300 174.300 178.281 -3.981 17821
6029 1 19 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.767 -2.467 17821
6030 1 19 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.282 -2.282 17821
6031 1 19 . 1 1 34 34 LYS H H 34 7.740 7.740 7.633 0.107 17821
6032 1 19 . 1 1 35 35 LYS N N 35 118.500 118.500 118.944 -0.444 17821
6033 1 19 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.069 -0.179 17821
6034 1 19 . 1 1 35 35 LYS C C 35 176.500 176.500 179.011 -2.511 17821
6035 1 19 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.138 -2.438 17821
6036 1 19 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.953 -2.453 17821
6037 1 19 . 1 1 35 35 LYS H H 35 7.880 7.880 8.328 -0.448 17821
6038 1 19 . 1 1 36 36 ALA N N 36 120.100 120.100 121.949 -1.849 17821
6039 1 19 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.101 -0.061 17821
6040 1 19 . 1 1 36 36 ALA C C 36 177.600 177.600 179.531 -1.931 17821
6041 1 19 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.136 -3.136 17821
6042 1 19 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.320 -2.920 17821
6043 1 19 . 1 1 36 36 ALA H H 36 7.490 7.490 8.174 -0.684 17821
6044 1 19 . 1 1 37 37 ARG N N 37 118.500 118.500 119.097 -0.597 17821
6045 1 19 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.882 -0.262 17821
6046 1 19 . 1 1 37 37 ARG C C 37 174.100 174.100 177.910 -3.810 17821
6047 1 19 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.758 -3.158 17821
6048 1 19 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.046 -2.946 17821
6049 1 19 . 1 1 37 37 ARG H H 37 7.630 7.630 8.367 -0.737 17821
6050 1 19 . 1 1 38 38 ASP N N 38 120.200 120.200 119.457 0.743 17821
6051 1 19 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.350 -0.080 17821
6052 1 19 . 1 1 38 38 ASP C C 38 175.500 175.500 178.616 -3.116 17821
6053 1 19 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.209 -2.509 17821
6054 1 19 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.209 -4.009 17821
6055 1 19 . 1 1 38 38 ASP H H 38 8.680 8.680 8.407 0.273 17821
6056 1 19 . 1 1 39 39 ALA N N 39 121.100 121.100 122.064 -0.964 17821
6057 1 19 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.137 -0.127 17821
6058 1 19 . 1 1 39 39 ALA C C 39 176.800 176.800 179.672 -2.872 17821
6059 1 19 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.059 -2.959 17821
6060 1 19 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.314 -3.114 17821
6061 1 19 . 1 1 39 39 ALA H H 39 8.040 8.040 8.057 -0.017 17821
6062 1 19 . 1 1 40 40 CYS N N 40 117.600 117.600 118.547 -0.947 17821
6063 1 19 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.157 0.023 17821
6064 1 19 . 1 1 40 40 CYS C C 40 173.800 173.800 176.785 -2.985 17821
6065 1 19 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.728 -4.828 17821
6066 1 19 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.043 10.357 17821
6067 1 19 . 1 1 40 40 CYS H H 40 7.340 7.340 8.165 -0.825 17821
6068 1 19 . 1 1 41 41 ILE N N 41 121.500 121.500 121.118 0.382 17821
6069 1 19 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.822 -0.772 17821
6070 1 19 . 1 1 41 41 ILE C C 41 176.100 176.100 178.384 -2.284 17821
6071 1 19 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.888 -1.488 17821
6072 1 19 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.782 -2.482 17821
6073 1 19 . 1 1 41 41 ILE H H 41 8.230 8.230 8.581 -0.351 17821
6074 1 19 . 1 1 42 42 ILE N N 42 119.200 119.200 119.917 -0.717 17821
6075 1 19 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.691 -0.001 17821
6076 1 19 . 1 1 42 42 ILE C C 42 174.200 174.200 177.612 -3.412 17821
6077 1 19 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.755 -3.455 17821
6078 1 19 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.961 -2.161 17821
6079 1 19 . 1 1 42 42 ILE H H 42 7.770 7.770 7.983 -0.213 17821
6080 1 19 . 1 1 43 43 GLU N N 43 118.700 118.700 118.761 -0.061 17821
6081 1 19 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.226 -0.176 17821
6082 1 19 . 1 1 43 43 GLU C C 43 175.300 175.300 177.916 -2.616 17821
6083 1 19 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.590 -2.290 17821
6084 1 19 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.504 -2.304 17821
6085 1 19 . 1 1 43 43 GLU H H 43 7.600 7.600 8.041 -0.441 17821
6086 1 19 . 1 1 44 44 LYS N N 44 114.600 114.600 115.864 -1.264 17821
6087 1 19 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.520 -0.070 17821
6088 1 19 . 1 1 44 44 LYS C C 44 174.500 174.500 176.218 -1.718 17821
6089 1 19 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.477 -2.677 17821
6090 1 19 . 1 1 44 44 LYS CB C 44 32.700 32.700 34.920 -2.220 17821
6091 1 19 . 1 1 44 44 LYS H H 44 8.860 8.860 8.465 0.395 17821
6092 1 19 . 1 1 45 45 GLY N N 45 108.700 108.700 108.321 0.379 17821
6093 1 19 . 1 1 45 45 GLY C C 45 171.000 171.000 174.959 -3.959 17821
6094 1 19 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.669 -3.369 17821
6095 1 19 . 1 1 45 45 GLY H H 45 7.690 7.690 7.810 -0.120 17821
6096 1 19 . 1 1 46 46 GLU N N 46 120.800 120.800 121.765 -0.965 17821
6097 1 19 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.906 -0.466 17821
6098 1 19 . 1 1 46 46 GLU C C 46 175.800 175.800 178.120 -2.320 17821
6099 1 19 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.459 -1.159 17821
6100 1 19 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.593 -2.493 17821
6101 1 19 . 1 1 46 46 GLU H H 46 8.900 8.900 8.923 -0.023 17821
6102 1 19 . 1 1 47 47 GLU N N 47 118.700 118.700 116.490 2.210 17821
6103 1 19 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.142 -0.202 17821
6104 1 19 . 1 1 47 47 GLU C C 47 174.300 174.300 176.909 -2.609 17821
6105 1 19 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.116 -1.216 17821
6106 1 19 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.558 -3.058 17821
6107 1 19 . 1 1 47 47 GLU H H 47 9.530 9.530 8.697 0.833 17821
6108 1 19 . 1 1 48 48 HIS N N 48 117.500 117.500 116.499 1.001 17821
6109 1 19 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.884 -0.014 17821
6110 1 19 . 1 1 48 48 HIS C C 48 173.300 173.300 174.531 -1.231 17821
6111 1 19 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.123 -3.023 17821
6112 1 19 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.297 -2.397 17821
6113 1 19 . 1 1 48 48 HIS H H 48 7.500 7.500 7.646 -0.146 17821
6114 1 19 . 1 1 49 49 CYS N N 49 116.100 116.100 118.989 -2.889 17821
6115 1 19 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.993 0.057 17821
6116 1 19 . 1 1 49 49 CYS C C 49 173.700 173.700 175.911 -2.211 17821
6117 1 19 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.940 -6.240 17821
6118 1 19 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.336 13.164 17821
6119 1 19 . 1 1 49 49 CYS H H 49 7.460 7.460 7.831 -0.371 17821
6120 1 19 . 1 1 50 50 GLY N N 50 112.900 112.900 109.378 3.522 17821
6121 1 19 . 1 1 50 50 GLY C C 50 172.500 172.500 175.482 -2.982 17821
6122 1 19 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.637 -2.337 17821
6123 1 19 . 1 1 50 50 GLY H H 50 9.150 9.150 8.629 0.521 17821
6124 1 19 . 1 1 51 51 HIS C C 51 175.400 175.400 176.683 -1.283 17821
6125 1 19 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.761 -2.361 17821
6126 1 19 . 1 1 51 51 HIS CB C 51 26.000 26.000 30.043 -4.043 17821
6127 1 19 . 1 1 52 52 LEU N N 52 122.000 122.000 121.205 0.795 17821
6128 1 19 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.148 -0.038 17821
6129 1 19 . 1 1 52 52 LEU C C 52 177.700 177.700 178.651 -0.951 17821
6130 1 19 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.348 -3.548 17821
6131 1 19 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.301 -1.801 17821
6132 1 19 . 1 1 52 52 LEU H H 52 6.810 6.810 8.127 -1.317 17821
6133 1 19 . 1 1 53 53 ILE N N 53 124.200 124.200 119.975 4.225 17821
6134 1 19 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.697 -0.267 17821
6135 1 19 . 1 1 53 53 ILE C C 53 176.100 176.100 178.625 -2.525 17821
6136 1 19 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.958 -2.758 17821
6137 1 19 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.921 -2.021 17821
6138 1 19 . 1 1 53 53 ILE H H 53 8.170 8.170 8.524 -0.354 17821
6139 1 19 . 1 1 54 54 GLU N N 54 120.600 120.600 119.925 0.675 17821
6140 1 19 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.936 0.094 17821
6141 1 19 . 1 1 54 54 GLU C C 54 175.400 175.400 178.665 -3.265 17821
6142 1 19 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.744 -3.644 17821
6143 1 19 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.543 -3.543 17821
6144 1 19 . 1 1 54 54 GLU H H 54 8.380 8.380 8.168 0.212 17821
6145 1 19 . 1 1 55 55 ALA N N 55 120.800 120.800 122.405 -1.605 17821
6146 1 19 . 1 1 55 55 ALA HA H 55 4.120 4.120 3.952 0.168 17821
6147 1 19 . 1 1 55 55 ALA C C 55 177.900 177.900 179.137 -1.237 17821
6148 1 19 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.328 -3.128 17821
6149 1 19 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.162 -3.062 17821
6150 1 19 . 1 1 55 55 ALA H H 55 7.880 7.880 7.985 -0.105 17821
6151 1 19 . 1 1 56 56 HIS N N 56 117.400 117.400 118.468 -1.068 17821
6152 1 19 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.276 0.024 17821
6153 1 19 . 1 1 56 56 HIS C C 56 173.500 173.500 177.369 -3.869 17821
6154 1 19 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.711 -2.711 17821
6155 1 19 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.880 -1.580 17821
6156 1 19 . 1 1 56 56 HIS H H 56 7.640 7.640 8.538 -0.898 17821
6157 1 19 . 1 1 57 57 LYS N N 57 119.200 119.200 119.099 0.101 17821
6158 1 19 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.735 -0.135 17821
6159 1 19 . 1 1 57 57 LYS C C 57 176.200 176.200 178.754 -2.554 17821
6160 1 19 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.428 -1.828 17821
6161 1 19 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.944 -2.444 17821
6162 1 19 . 1 1 57 57 LYS H H 57 7.620 7.620 8.161 -0.541 17821
6163 1 19 . 1 1 58 58 GLU N N 58 118.400 118.400 120.551 -2.151 17821
6164 1 19 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.047 -0.077 17821
6165 1 19 . 1 1 58 58 GLU C C 58 176.200 176.200 178.932 -2.732 17821
6166 1 19 . 1 1 58 58 GLU CA C 58 56.200 56.200 58.871 -2.671 17821
6167 1 19 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.288 -2.988 17821
6168 1 19 . 1 1 58 58 GLU H H 58 8.490 8.490 8.290 0.200 17821
6169 1 19 . 1 1 59 59 SER N N 59 116.100 116.100 115.423 0.677 17821
6170 1 19 . 1 1 59 59 SER HA H 59 4.150 4.150 4.172 -0.022 17821
6171 1 19 . 1 1 59 59 SER CA C 59 58.400 58.400 61.353 -2.953 17821
6172 1 19 . 1 1 59 59 SER CB C 59 60.300 60.300 63.203 -2.903 17821
6173 1 19 . 1 1 59 59 SER H H 59 7.790 7.790 8.290 -0.500 17821
6174 1 19 . 1 1 60 60 MET N N 60 117.500 117.500 119.224 -1.724 17821
6175 1 19 . 1 1 60 60 MET HA H 60 4.170 4.170 4.156 0.014 17821
6176 1 19 . 1 1 60 60 MET C C 60 176.400 176.400 178.321 -1.921 17821
6177 1 19 . 1 1 60 60 MET CA C 60 54.400 54.400 56.829 -2.429 17821
6178 1 19 . 1 1 60 60 MET CB C 60 29.100 29.100 32.561 -3.461 17821
6179 1 19 . 1 1 60 60 MET H H 60 7.880 7.880 8.058 -0.178 17821
6180 1 19 . 1 1 61 61 ARG N N 61 121.300 121.300 120.347 0.953 17821
6181 1 19 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.932 0.238 17821
6182 1 19 . 1 1 61 61 ARG C C 61 177.500 177.500 177.681 -0.181 17821
6183 1 19 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.059 -2.959 17821
6184 1 19 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.205 -2.705 17821
6185 1 19 . 1 1 61 61 ARG H H 61 8.290 8.290 8.156 0.134 17821
6186 1 19 . 1 1 62 62 ALA N N 62 123.200 123.200 120.426 2.774 17821
6187 1 19 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.137 -0.067 17821
6188 1 19 . 1 1 62 62 ALA C C 62 176.400 176.400 178.392 -1.992 17821
6189 1 19 . 1 1 62 62 ALA CA C 62 51.500 51.500 53.724 -2.224 17821
6190 1 19 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.429 -3.329 17821
6191 1 19 . 1 1 62 62 ALA H H 62 7.950 7.950 7.626 0.324 17821
6192 1 19 . 1 1 63 63 LEU N N 63 117.500 117.500 116.265 1.235 17821
6193 1 19 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.050 0.150 17821
6194 1 19 . 1 1 63 63 LEU C C 63 174.400 174.400 177.742 -3.342 17821
6195 1 19 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.280 -1.380 17821
6196 1 19 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.364 -1.564 17821
6197 1 19 . 1 1 63 63 LEU H H 63 7.450 7.450 7.432 0.018 17821
6198 1 19 . 1 1 64 64 GLY N N 64 106.300 106.300 106.234 0.066 17821
6199 1 19 . 1 1 64 64 GLY C C 64 171.400 171.400 175.370 -3.970 17821
6200 1 19 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.908 -3.808 17821
6201 1 19 . 1 1 64 64 GLY H H 64 7.780 7.780 7.569 0.211 17821
6202 1 19 . 1 1 65 65 PHE N N 65 119.800 119.800 116.888 2.912 17821
6203 1 19 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.855 -0.385 17821
6204 1 19 . 1 1 65 65 PHE C C 65 172.300 172.300 175.717 -3.417 17821
6205 1 19 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.971 -1.071 17821
6206 1 19 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.400 -1.500 17821
6207 1 19 . 1 1 65 65 PHE H H 65 7.840 7.840 7.584 0.256 17821
6208 1 19 . 1 1 66 66 LYS N N 66 124.000 124.000 121.097 2.903 17821
6209 1 19 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.462 -0.202 17821
6210 1 19 . 1 1 66 66 LYS C C 66 172.200 172.200 175.692 -3.492 17821
6211 1 19 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.020 -3.820 17821
6212 1 19 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.401 -4.101 17821
6213 1 19 . 1 1 66 66 LYS H H 66 8.370 8.370 8.288 0.082 17821
6214 1 20 . 1 1 4 4 THR N N 4 117.400 117.400 121.057 -3.657 17821
6215 1 20 . 1 1 4 4 THR HA H 4 4.130 4.130 4.543 -0.413 17821
6216 1 20 . 1 1 4 4 THR C C 4 170.800 170.800 173.982 -3.182 17821
6217 1 20 . 1 1 4 4 THR CA C 4 58.800 58.800 62.243 -3.443 17821
6218 1 20 . 1 1 4 4 THR CB C 4 67.000 67.000 70.113 -3.113 17821
6219 1 20 . 1 1 4 4 THR H H 4 7.980 7.980 8.448 -0.468 17821
6220 1 20 . 1 1 5 5 MET N N 5 124.400 124.400 124.170 0.230 17821
6221 1 20 . 1 1 5 5 MET C C 5 171.200 171.200 174.230 -3.030 17821
6222 1 20 . 1 1 5 5 MET CA C 5 50.400 50.400 52.851 -2.451 17821
6223 1 20 . 1 1 5 5 MET CB C 5 29.600 29.600 32.707 -3.107 17821
6224 1 20 . 1 1 5 5 MET H H 5 8.250 8.250 8.376 -0.126 17821
6225 1 20 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.680 -0.400 17821
6226 1 20 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.280 -2.780 17821
6227 1 20 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.194 -2.994 17821
6228 1 20 . 1 1 7 7 GLY N N 7 109.000 109.000 104.940 4.060 17821
6229 1 20 . 1 1 7 7 GLY C C 7 171.200 171.200 173.924 -2.724 17821
6230 1 20 . 1 1 7 7 GLY CA C 7 42.400 42.400 44.523 -2.123 17821
6231 1 20 . 1 1 7 7 GLY H H 7 8.360 8.360 8.150 0.210 17821
6232 1 20 . 1 1 8 8 LEU N N 8 121.700 121.700 123.116 -1.416 17821
6233 1 20 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.524 -0.264 17821
6234 1 20 . 1 1 8 8 LEU C C 8 174.600 174.600 176.689 -2.089 17821
6235 1 20 . 1 1 8 8 LEU CA C 8 52.300 52.300 53.449 -1.149 17821
6236 1 20 . 1 1 8 8 LEU CB C 8 39.400 39.400 39.666 -0.266 17821
6237 1 20 . 1 1 8 8 LEU H H 8 7.920 7.920 7.989 -0.069 17821
6238 1 20 . 1 1 9 9 VAL N N 9 120.900 120.900 126.104 -5.204 17821
6239 1 20 . 1 1 9 9 VAL HA H 9 3.980 3.980 3.889 0.091 17821
6240 1 20 . 1 1 9 9 VAL C C 9 172.900 172.900 175.773 -2.873 17821
6241 1 20 . 1 1 9 9 VAL CA C 9 59.400 59.400 62.376 -2.976 17821
6242 1 20 . 1 1 9 9 VAL CB C 9 30.000 30.000 30.354 -0.354 17821
6243 1 20 . 1 1 9 9 VAL H H 9 8.050 8.050 8.029 0.021 17821
6244 1 20 . 1 1 10 10 ASP N N 10 124.300 124.300 126.615 -2.315 17821
6245 1 20 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.562 -0.092 17821
6246 1 20 . 1 1 10 10 ASP C C 10 173.100 173.100 175.787 -2.687 17821
6247 1 20 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.230 -2.729 17821
6248 1 20 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.736 -2.436 17821
6249 1 20 . 1 1 10 10 ASP H H 10 8.300 8.300 8.080 0.220 17821
6250 1 20 . 1 1 11 11 SER N N 11 116.400 116.400 119.369 -2.969 17821
6251 1 20 . 1 1 11 11 SER HA H 11 4.290 4.290 4.540 -0.250 17821
6252 1 20 . 1 1 11 11 SER C C 11 171.200 171.200 174.786 -3.586 17821
6253 1 20 . 1 1 11 11 SER CA C 11 55.500 55.500 57.663 -2.163 17821
6254 1 20 . 1 1 11 11 SER CB C 11 60.900 60.900 64.170 -3.270 17821
6255 1 20 . 1 1 11 11 SER H H 11 8.130 8.130 8.485 -0.355 17821
6256 1 20 . 1 1 12 12 ASN N N 12 121.600 121.600 119.050 2.550 17821
6257 1 20 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.886 -0.656 17821
6258 1 20 . 1 1 12 12 ASN C C 12 170.000 170.000 173.537 -3.537 17821
6259 1 20 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.642 4.858 17821
6260 1 20 . 1 1 12 12 ASN CB C 12 36.000 36.000 37.409 -1.409 17821
6261 1 20 . 1 1 12 12 ASN H H 12 8.360 8.360 8.648 -0.288 17821
6262 1 20 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.459 -0.169 17821
6263 1 20 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.278 -1.978 17821
6264 1 20 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.071 -2.871 17821
6265 1 20 . 1 1 14 14 ALA N N 14 125.700 125.700 123.532 2.168 17821
6266 1 20 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.275 0.135 17821
6267 1 20 . 1 1 14 14 ALA C C 14 172.200 172.200 176.699 -4.499 17821
6268 1 20 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.195 -3.695 17821
6269 1 20 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.462 -3.362 17821
6270 1 20 . 1 1 14 14 ALA H H 14 8.260 8.260 8.240 0.020 17821
6271 1 20 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.607 -0.327 17821
6272 1 20 . 1 1 16 16 PRO CA C 16 60.500 60.500 63.091 -2.591 17821
6273 1 20 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.570 -3.370 17821
6274 1 20 . 1 1 17 17 GLU N N 17 120.600 120.600 120.701 -0.101 17821
6275 1 20 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.529 -0.409 17821
6276 1 20 . 1 1 17 17 GLU C C 17 173.900 173.900 174.910 -1.010 17821
6277 1 20 . 1 1 17 17 GLU CA C 17 54.100 54.100 55.578 -1.478 17821
6278 1 20 . 1 1 17 17 GLU CB C 17 27.100 27.100 31.739 -4.639 17821
6279 1 20 . 1 1 17 17 GLU H H 17 8.550 8.550 8.421 0.129 17821
6280 1 20 . 1 1 18 18 SER N N 18 116.400 116.400 116.293 0.107 17821
6281 1 20 . 1 1 18 18 SER HA H 18 4.310 4.310 4.644 -0.334 17821
6282 1 20 . 1 1 18 18 SER C C 18 171.900 171.900 174.657 -2.757 17821
6283 1 20 . 1 1 18 18 SER CA C 18 55.600 55.600 57.810 -2.210 17821
6284 1 20 . 1 1 18 18 SER CB C 18 60.800 60.800 64.910 -4.110 17821
6285 1 20 . 1 1 18 18 SER H H 18 8.240 8.240 8.164 0.076 17821
6286 1 20 . 1 1 19 19 GLN N N 19 122.300 122.300 119.587 2.713 17821
6287 1 20 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.349 -0.149 17821
6288 1 20 . 1 1 19 19 GLN C C 19 173.100 173.100 175.839 -2.739 17821
6289 1 20 . 1 1 19 19 GLN CA C 19 53.000 53.000 56.772 -3.772 17821
6290 1 20 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.169 -2.669 17821
6291 1 20 . 1 1 19 19 GLN H H 19 8.310 8.310 8.566 -0.256 17821
6292 1 20 . 1 1 20 20 GLU N N 20 121.600 121.600 118.664 2.936 17821
6293 1 20 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.517 -0.227 17821
6294 1 20 . 1 1 20 20 GLU C C 20 173.500 173.500 174.943 -1.443 17821
6295 1 20 . 1 1 20 20 GLU CA C 20 53.900 53.900 54.571 -0.670 17821
6296 1 20 . 1 1 20 20 GLU CB C 20 27.400 27.400 31.290 -3.889 17821
6297 1 20 . 1 1 20 20 GLU H H 20 8.240 8.240 7.791 0.449 17821
6298 1 20 . 1 1 21 21 LYS N N 21 122.900 122.900 122.874 0.026 17821
6299 1 20 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.107 0.073 17821
6300 1 20 . 1 1 21 21 LYS C C 21 173.400 173.400 176.475 -3.075 17821
6301 1 20 . 1 1 21 21 LYS CA C 21 53.300 53.300 57.490 -4.190 17821
6302 1 20 . 1 1 21 21 LYS CB C 21 29.800 29.800 32.601 -2.801 17821
6303 1 20 . 1 1 21 21 LYS H H 21 8.260 8.260 8.671 -0.411 17821
6304 1 20 . 1 1 22 22 LYS N N 22 124.000 124.000 128.704 -4.704 17821
6305 1 20 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.630 -0.180 17821
6306 1 20 . 1 1 22 22 LYS C C 22 171.500 171.500 174.892 -3.392 17821
6307 1 20 . 1 1 22 22 LYS CA C 22 51.200 51.200 53.353 -2.153 17821
6308 1 20 . 1 1 22 22 LYS CB C 22 29.500 29.500 33.453 -3.953 17821
6309 1 20 . 1 1 22 22 LYS H H 22 8.220 8.220 8.493 -0.273 17821
6310 1 20 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.343 -0.053 17821
6311 1 20 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.503 -2.403 17821
6312 1 20 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.267 -3.067 17821
6313 1 20 . 1 1 24 24 LEU N N 24 122.700 122.700 123.984 -1.284 17821
6314 1 20 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.395 -0.235 17821
6315 1 20 . 1 1 24 24 LEU C C 24 174.400 174.400 176.691 -2.291 17821
6316 1 20 . 1 1 24 24 LEU CA C 24 52.400 52.400 55.166 -2.766 17821
6317 1 20 . 1 1 24 24 LEU CB C 24 39.600 39.600 43.061 -3.461 17821
6318 1 20 . 1 1 24 24 LEU H H 24 8.270 8.270 8.222 0.048 17821
6319 1 20 . 1 1 25 25 LYS N N 25 123.400 123.400 124.448 -1.048 17821
6320 1 20 . 1 1 25 25 LYS C C 25 171.600 171.600 174.596 -2.996 17821
6321 1 20 . 1 1 25 25 LYS CA C 25 50.900 50.900 53.690 -2.790 17821
6322 1 20 . 1 1 25 25 LYS CB C 25 29.800 29.800 33.016 -3.216 17821
6323 1 20 . 1 1 25 25 LYS H H 25 8.180 8.180 8.242 -0.062 17821
6324 1 20 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.728 -13.728 17821
6325 1 20 . 1 1 28 28 CYS CB C 28 31.000 31.000 26.614 4.386 17821
6326 1 20 . 1 1 29 29 ALA N N 29 123.800 123.800 121.144 2.656 17821
6327 1 20 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.613 -0.463 17821
6328 1 20 . 1 1 29 29 ALA C C 29 173.200 173.200 176.605 -3.405 17821
6329 1 20 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.611 -1.911 17821
6330 1 20 . 1 1 29 29 ALA CB C 29 17.600 17.600 21.076 -3.477 17821
6331 1 20 . 1 1 29 29 ALA H H 29 8.050 8.050 7.695 0.355 17821
6332 1 20 . 1 1 30 30 SER N N 30 112.800 112.800 115.497 -2.697 17821
6333 1 20 . 1 1 30 30 SER HA H 30 4.580 4.580 5.350 -0.770 17821
6334 1 20 . 1 1 30 30 SER C C 30 173.300 173.300 173.793 -0.493 17821
6335 1 20 . 1 1 30 30 SER CA C 30 52.600 52.600 55.784 -3.184 17821
6336 1 20 . 1 1 30 30 SER CB C 30 59.400 59.400 62.960 -3.560 17821
6337 1 20 . 1 1 30 30 SER H H 30 8.270 8.270 8.710 -0.440 17821
6338 1 20 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.210 -0.050 17821
6339 1 20 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.948 -3.148 17821
6340 1 20 . 1 1 31 31 PRO CB C 31 29.300 29.300 32.008 -2.708 17821
6341 1 20 . 1 1 32 32 GLU N N 32 119.100 119.100 118.577 0.523 17821
6342 1 20 . 1 1 32 32 GLU HA H 32 4.060 4.060 3.984 0.076 17821
6343 1 20 . 1 1 32 32 GLU C C 32 177.300 177.300 178.759 -1.459 17821
6344 1 20 . 1 1 32 32 GLU CA C 32 56.900 56.900 60.623 -3.723 17821
6345 1 20 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.565 -2.565 17821
6346 1 20 . 1 1 32 32 GLU H H 32 8.720 8.720 8.832 -0.113 17821
6347 1 20 . 1 1 33 33 THR N N 33 110.800 110.800 111.727 -0.927 17821
6348 1 20 . 1 1 33 33 THR HA H 33 4.040 4.040 4.136 -0.096 17821
6349 1 20 . 1 1 33 33 THR C C 33 176.000 176.000 176.435 -0.435 17821
6350 1 20 . 1 1 33 33 THR CA C 33 61.700 61.700 65.477 -3.777 17821
6351 1 20 . 1 1 33 33 THR CB C 33 64.100 64.100 68.774 -4.674 17821
6352 1 20 . 1 1 33 33 THR H H 33 7.620 7.620 8.008 -0.388 17821
6353 1 20 . 1 1 34 34 LYS N N 34 127.100 127.100 123.094 4.006 17821
6354 1 20 . 1 1 34 34 LYS HA H 34 2.920 2.920 4.060 -1.140 17821
6355 1 20 . 1 1 34 34 LYS C C 34 174.300 174.300 178.396 -4.096 17821
6356 1 20 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.135 -1.835 17821
6357 1 20 . 1 1 34 34 LYS CB C 34 30.000 30.000 31.774 -1.774 17821
6358 1 20 . 1 1 34 34 LYS H H 34 7.740 7.740 7.315 0.425 17821
6359 1 20 . 1 1 35 35 LYS N N 35 118.500 118.500 119.851 -1.351 17821
6360 1 20 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.036 -0.146 17821
6361 1 20 . 1 1 35 35 LYS C C 35 176.500 176.500 179.111 -2.611 17821
6362 1 20 . 1 1 35 35 LYS CA C 35 56.700 56.700 59.010 -2.309 17821
6363 1 20 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.858 -2.358 17821
6364 1 20 . 1 1 35 35 LYS H H 35 7.880 7.880 8.428 -0.548 17821
6365 1 20 . 1 1 36 36 ALA N N 36 120.100 120.100 121.891 -1.791 17821
6366 1 20 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.203 -0.163 17821
6367 1 20 . 1 1 36 36 ALA C C 36 177.600 177.600 179.737 -2.137 17821
6368 1 20 . 1 1 36 36 ALA CA C 36 52.000 52.000 54.771 -2.771 17821
6369 1 20 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.359 -2.959 17821
6370 1 20 . 1 1 36 36 ALA H H 36 7.490 7.490 8.231 -0.741 17821
6371 1 20 . 1 1 37 37 ARG N N 37 118.500 118.500 119.732 -1.232 17821
6372 1 20 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.945 -0.325 17821
6373 1 20 . 1 1 37 37 ARG C C 37 174.100 174.100 178.501 -4.401 17821
6374 1 20 . 1 1 37 37 ARG CA C 37 56.600 56.600 60.438 -3.837 17821
6375 1 20 . 1 1 37 37 ARG CB C 37 27.100 27.100 30.082 -2.982 17821
6376 1 20 . 1 1 37 37 ARG H H 37 7.630 7.630 8.140 -0.510 17821
6377 1 20 . 1 1 38 38 ASP N N 38 120.200 120.200 119.433 0.767 17821
6378 1 20 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.371 -0.101 17821
6379 1 20 . 1 1 38 38 ASP C C 38 175.500 175.500 178.554 -3.054 17821
6380 1 20 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.283 -2.583 17821
6381 1 20 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.158 -3.958 17821
6382 1 20 . 1 1 38 38 ASP H H 38 8.680 8.680 8.323 0.357 17821
6383 1 20 . 1 1 39 39 ALA N N 39 121.100 121.100 122.139 -1.039 17821
6384 1 20 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.078 -0.068 17821
6385 1 20 . 1 1 39 39 ALA C C 39 176.800 176.800 179.589 -2.789 17821
6386 1 20 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.376 -3.276 17821
6387 1 20 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.255 -3.055 17821
6388 1 20 . 1 1 39 39 ALA H H 39 8.040 8.040 8.088 -0.048 17821
6389 1 20 . 1 1 40 40 CYS N N 40 117.600 117.600 117.996 -0.396 17821
6390 1 20 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.197 -0.017 17821
6391 1 20 . 1 1 40 40 CYS C C 40 173.800 173.800 176.949 -3.149 17821
6392 1 20 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.822 -4.922 17821
6393 1 20 . 1 1 40 40 CYS CB C 40 36.400 36.400 26.117 10.283 17821
6394 1 20 . 1 1 40 40 CYS H H 40 7.340 7.340 8.046 -0.706 17821
6395 1 20 . 1 1 41 41 ILE N N 41 121.500 121.500 121.029 0.471 17821
6396 1 20 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.774 -0.724 17821
6397 1 20 . 1 1 41 41 ILE C C 41 176.100 176.100 178.318 -2.218 17821
6398 1 20 . 1 1 41 41 ILE CA C 41 63.400 63.400 65.117 -1.717 17821
6399 1 20 . 1 1 41 41 ILE CB C 41 35.300 35.300 38.006 -2.706 17821
6400 1 20 . 1 1 41 41 ILE H H 41 8.230 8.230 8.587 -0.357 17821
6401 1 20 . 1 1 42 42 ILE N N 42 119.200 119.200 119.805 -0.605 17821
6402 1 20 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.671 0.019 17821
6403 1 20 . 1 1 42 42 ILE C C 42 174.200 174.200 178.039 -3.839 17821
6404 1 20 . 1 1 42 42 ILE CA C 42 61.300 61.300 65.012 -3.712 17821
6405 1 20 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.954 -2.154 17821
6406 1 20 . 1 1 42 42 ILE H H 42 7.770 7.770 8.233 -0.463 17821
6407 1 20 . 1 1 43 43 GLU N N 43 118.700 118.700 118.529 0.171 17821
6408 1 20 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.230 -0.180 17821
6409 1 20 . 1 1 43 43 GLU C C 43 175.300 175.300 177.727 -2.427 17821
6410 1 20 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.627 -2.327 17821
6411 1 20 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.428 -2.228 17821
6412 1 20 . 1 1 43 43 GLU H H 43 7.600 7.600 8.246 -0.646 17821
6413 1 20 . 1 1 44 44 LYS N N 44 114.600 114.600 115.231 -0.631 17821
6414 1 20 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.609 -0.159 17821
6415 1 20 . 1 1 44 44 LYS C C 44 174.500 174.500 175.577 -1.077 17821
6416 1 20 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.320 -2.520 17821
6417 1 20 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.258 -2.558 17821
6418 1 20 . 1 1 44 44 LYS H H 44 8.860 8.860 8.577 0.283 17821
6419 1 20 . 1 1 45 45 GLY N N 45 108.700 108.700 108.186 0.514 17821
6420 1 20 . 1 1 45 45 GLY C C 45 171.000 171.000 174.948 -3.948 17821
6421 1 20 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.542 -3.242 17821
6422 1 20 . 1 1 45 45 GLY H H 45 7.690 7.690 7.477 0.213 17821
6423 1 20 . 1 1 46 46 GLU N N 46 120.800 120.800 122.459 -1.659 17821
6424 1 20 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.948 -0.508 17821
6425 1 20 . 1 1 46 46 GLU C C 46 175.800 175.800 178.053 -2.253 17821
6426 1 20 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.269 -0.969 17821
6427 1 20 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.463 -2.364 17821
6428 1 20 . 1 1 46 46 GLU H H 46 8.900 8.900 8.994 -0.094 17821
6429 1 20 . 1 1 47 47 GLU N N 47 118.700 118.700 116.608 2.092 17821
6430 1 20 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.087 -0.147 17821
6431 1 20 . 1 1 47 47 GLU C C 47 174.300 174.300 177.088 -2.788 17821
6432 1 20 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.273 -1.373 17821
6433 1 20 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.645 -3.145 17821
6434 1 20 . 1 1 47 47 GLU H H 47 9.530 9.530 8.643 0.887 17821
6435 1 20 . 1 1 48 48 HIS N N 48 117.500 117.500 116.530 0.970 17821
6436 1 20 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.808 0.062 17821
6437 1 20 . 1 1 48 48 HIS C C 48 173.300 173.300 175.047 -1.747 17821
6438 1 20 . 1 1 48 48 HIS CA C 48 53.100 53.100 55.562 -2.462 17821
6439 1 20 . 1 1 48 48 HIS CB C 48 28.900 28.900 31.253 -2.353 17821
6440 1 20 . 1 1 48 48 HIS H H 48 7.500 7.500 7.648 -0.148 17821
6441 1 20 . 1 1 49 49 CYS N N 49 116.100 116.100 120.277 -4.177 17821
6442 1 20 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.912 0.138 17821
6443 1 20 . 1 1 49 49 CYS C C 49 173.700 173.700 176.029 -2.329 17821
6444 1 20 . 1 1 49 49 CYS CA C 49 51.700 51.700 58.031 -6.330 17821
6445 1 20 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.049 13.451 17821
6446 1 20 . 1 1 49 49 CYS H H 49 7.460 7.460 8.044 -0.584 17821
6447 1 20 . 1 1 50 50 GLY N N 50 112.900 112.900 109.767 3.133 17821
6448 1 20 . 1 1 50 50 GLY C C 50 172.500 172.500 176.052 -3.552 17821
6449 1 20 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.533 -2.233 17821
6450 1 20 . 1 1 50 50 GLY H H 50 9.150 9.150 8.735 0.415 17821
6451 1 20 . 1 1 51 51 HIS C C 51 175.400 175.400 177.416 -2.016 17821
6452 1 20 . 1 1 51 51 HIS CA C 51 56.400 56.400 56.506 -0.106 17821
6453 1 20 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.209 -3.209 17821
6454 1 20 . 1 1 52 52 LEU N N 52 122.000 122.000 121.663 0.337 17821
6455 1 20 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.250 -0.140 17821
6456 1 20 . 1 1 52 52 LEU C C 52 177.700 177.700 178.661 -0.961 17821
6457 1 20 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.025 -3.225 17821
6458 1 20 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.283 -1.783 17821
6459 1 20 . 1 1 52 52 LEU H H 52 6.810 6.810 7.883 -1.073 17821
6460 1 20 . 1 1 53 53 ILE N N 53 124.200 124.200 120.735 3.465 17821
6461 1 20 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.046 0.384 17821
6462 1 20 . 1 1 53 53 ILE C C 53 176.100 176.100 178.121 -2.021 17821
6463 1 20 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.513 -2.313 17821
6464 1 20 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.756 -1.856 17821
6465 1 20 . 1 1 53 53 ILE H H 53 8.170 8.170 8.365 -0.195 17821
6466 1 20 . 1 1 54 54 GLU N N 54 120.600 120.600 119.914 0.686 17821
6467 1 20 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.852 0.178 17821
6468 1 20 . 1 1 54 54 GLU C C 54 175.400 175.400 178.649 -3.249 17821
6469 1 20 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.818 -3.718 17821
6470 1 20 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.597 -3.597 17821
6471 1 20 . 1 1 54 54 GLU H H 54 8.380 8.380 8.252 0.128 17821
6472 1 20 . 1 1 55 55 ALA N N 55 120.800 120.800 121.097 -0.297 17821
6473 1 20 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.037 0.083 17821
6474 1 20 . 1 1 55 55 ALA C C 55 177.900 177.900 179.822 -1.922 17821
6475 1 20 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.344 -3.144 17821
6476 1 20 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.180 -3.080 17821
6477 1 20 . 1 1 55 55 ALA H H 55 7.880 7.880 8.002 -0.122 17821
6478 1 20 . 1 1 56 56 HIS N N 56 117.400 117.400 116.855 0.545 17821
6479 1 20 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.372 -0.072 17821
6480 1 20 . 1 1 56 56 HIS C C 56 173.500 173.500 177.303 -3.803 17821
6481 1 20 . 1 1 56 56 HIS CA C 56 57.000 57.000 58.314 -1.314 17821
6482 1 20 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.341 -1.041 17821
6483 1 20 . 1 1 56 56 HIS H H 56 7.640 7.640 8.382 -0.742 17821
6484 1 20 . 1 1 57 57 LYS N N 57 119.200 119.200 120.764 -1.564 17821
6485 1 20 . 1 1 57 57 LYS HA H 57 3.600 3.600 4.103 -0.503 17821
6486 1 20 . 1 1 57 57 LYS C C 57 176.200 176.200 179.004 -2.804 17821
6487 1 20 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.199 -1.599 17821
6488 1 20 . 1 1 57 57 LYS CB C 57 29.500 29.500 31.600 -2.100 17821
6489 1 20 . 1 1 57 57 LYS H H 57 7.620 7.620 8.362 -0.742 17821
6490 1 20 . 1 1 58 58 GLU N N 58 118.400 118.400 120.378 -1.978 17821
6491 1 20 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.024 -0.054 17821
6492 1 20 . 1 1 58 58 GLU C C 58 176.200 176.200 178.878 -2.678 17821
6493 1 20 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.106 -2.906 17821
6494 1 20 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.368 -3.068 17821
6495 1 20 . 1 1 58 58 GLU H H 58 8.490 8.490 8.277 0.213 17821
6496 1 20 . 1 1 59 59 SER N N 59 116.100 116.100 115.263 0.837 17821
6497 1 20 . 1 1 59 59 SER HA H 59 4.150 4.150 4.211 -0.061 17821
6498 1 20 . 1 1 59 59 SER CA C 59 58.400 58.400 61.328 -2.928 17821
6499 1 20 . 1 1 59 59 SER CB C 59 60.300 60.300 63.245 -2.945 17821
6500 1 20 . 1 1 59 59 SER H H 59 7.790 7.790 8.210 -0.420 17821
6501 1 20 . 1 1 60 60 MET N N 60 117.500 117.500 118.565 -1.065 17821
6502 1 20 . 1 1 60 60 MET HA H 60 4.170 4.170 4.263 -0.093 17821
6503 1 20 . 1 1 60 60 MET C C 60 176.400 176.400 178.321 -1.921 17821
6504 1 20 . 1 1 60 60 MET CA C 60 54.400 54.400 57.030 -2.630 17821
6505 1 20 . 1 1 60 60 MET CB C 60 29.100 29.100 32.913 -3.813 17821
6506 1 20 . 1 1 60 60 MET H H 60 7.880 7.880 8.169 -0.289 17821
6507 1 20 . 1 1 61 61 ARG N N 61 121.300 121.300 121.465 -0.165 17821
6508 1 20 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.999 0.171 17821
6509 1 20 . 1 1 61 61 ARG C C 61 177.500 177.500 178.379 -0.879 17821
6510 1 20 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.313 -3.213 17821
6511 1 20 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.232 -2.732 17821
6512 1 20 . 1 1 61 61 ARG H H 61 8.290 8.290 8.211 0.079 17821
6513 1 20 . 1 1 62 62 ALA N N 62 123.200 123.200 122.319 0.881 17821
6514 1 20 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.143 -0.073 17821
6515 1 20 . 1 1 62 62 ALA C C 62 176.400 176.400 178.413 -2.013 17821
6516 1 20 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.036 -2.536 17821
6517 1 20 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.378 -3.278 17821
6518 1 20 . 1 1 62 62 ALA H H 62 7.950 7.950 8.001 -0.051 17821
6519 1 20 . 1 1 63 63 LEU N N 63 117.500 117.500 117.457 0.043 17821
6520 1 20 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.219 -0.019 17821
6521 1 20 . 1 1 63 63 LEU C C 63 174.400 174.400 177.590 -3.190 17821
6522 1 20 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.648 -1.748 17821
6523 1 20 . 1 1 63 63 LEU CB C 63 39.800 39.800 40.986 -1.186 17821
6524 1 20 . 1 1 63 63 LEU H H 63 7.450 7.450 7.541 -0.091 17821
6525 1 20 . 1 1 64 64 GLY N N 64 106.300 106.300 108.116 -1.816 17821
6526 1 20 . 1 1 64 64 GLY C C 64 171.400 171.400 175.393 -3.993 17821
6527 1 20 . 1 1 64 64 GLY CA C 64 42.100 42.100 46.301 -4.201 17821
6528 1 20 . 1 1 64 64 GLY H H 64 7.780 7.780 7.993 -0.213 17821
6529 1 20 . 1 1 65 65 PHE N N 65 119.800 119.800 116.478 3.322 17821
6530 1 20 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.772 -0.302 17821
6531 1 20 . 1 1 65 65 PHE C C 65 172.300 172.300 176.006 -3.706 17821
6532 1 20 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.409 -0.509 17821
6533 1 20 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.497 -1.597 17821
6534 1 20 . 1 1 65 65 PHE H H 65 7.840 7.840 7.486 0.354 17821
6535 1 20 . 1 1 66 66 LYS N N 66 124.000 124.000 121.701 2.299 17821
6536 1 20 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.484 -0.224 17821
6537 1 20 . 1 1 66 66 LYS C C 66 172.200 172.200 175.850 -3.650 17821
6538 1 20 . 1 1 66 66 LYS CA C 66 53.200 53.200 57.407 -4.207 17821
6539 1 20 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.450 -4.150 17821
6540 1 20 . 1 1 66 66 LYS H H 66 8.370 8.370 8.270 0.100 17821
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 53 2.440 -0.445 2.422 17821
2 1 1 "Average Difference" HA 60 0.316 0.126 0.292 17821
3 1 1 "Average Difference" C 53 2.753 2.547 1.055 17821
4 1 1 "Average Difference" CA 60 3.378 2.667 2.091 17821
5 1 1 "Average Difference" CB 56 3.748 2.250 3.024 17821
6 1 1 "Average Difference" HN 53 0.425 0.093 0.419 17821
7 1 2 "Average Difference" N 53 1.799 -0.051 1.815 17821
8 1 2 "Average Difference" HA 60 0.340 0.131 0.317 17821
9 1 2 "Average Difference" C 53 2.722 2.567 0.916 17821
10 1 2 "Average Difference" CA 60 3.466 2.848 1.992 17821
11 1 2 "Average Difference" CB 56 3.699 2.273 2.945 17821
12 1 2 "Average Difference" HN 53 0.406 0.126 0.390 17821
13 1 3 "Average Difference" N 53 1.950 -0.139 1.964 17821
14 1 3 "Average Difference" HA 60 0.322 0.115 0.303 17821
15 1 3 "Average Difference" C 53 2.724 2.541 0.991 17821
16 1 3 "Average Difference" CA 60 3.412 2.854 1.886 17821
17 1 3 "Average Difference" CB 56 3.708 2.225 2.993 17821
18 1 3 "Average Difference" HN 53 0.389 0.096 0.381 17821
19 1 4 "Average Difference" N 53 2.066 -0.263 2.069 17821
20 1 4 "Average Difference" HA 60 0.309 0.111 0.291 17821
21 1 4 "Average Difference" C 53 2.734 2.550 0.994 17821
22 1 4 "Average Difference" CA 60 3.451 2.893 1.897 17821
23 1 4 "Average Difference" CB 56 3.689 2.288 2.920 17821
24 1 4 "Average Difference" HN 53 0.406 0.112 0.394 17821
25 1 5 "Average Difference" N 53 1.901 0.130 1.915 17821
26 1 5 "Average Difference" HA 60 0.311 0.102 0.296 17821
27 1 5 "Average Difference" C 53 2.741 2.561 0.986 17821
28 1 5 "Average Difference" CA 60 3.399 2.817 1.919 17821
29 1 5 "Average Difference" CB 56 3.635 2.260 2.872 17821
30 1 5 "Average Difference" HN 53 0.369 0.120 0.352 17821
31 1 6 "Average Difference" N 53 2.066 -0.314 2.062 17821
32 1 6 "Average Difference" HA 60 0.309 0.143 0.276 17821
33 1 6 "Average Difference" C 53 2.762 2.565 1.034 17821
34 1 6 "Average Difference" CA 60 3.371 2.758 1.955 17821
35 1 6 "Average Difference" CB 56 3.647 2.128 2.989 17821
36 1 6 "Average Difference" HN 53 0.382 0.089 0.375 17821
37 1 7 "Average Difference" N 53 1.875 0.262 1.874 17821
38 1 7 "Average Difference" HA 60 0.312 0.148 0.277 17821
39 1 7 "Average Difference" C 53 2.679 2.509 0.949 17821
40 1 7 "Average Difference" CA 60 3.370 2.758 1.953 17821
41 1 7 "Average Difference" CB 56 3.666 2.394 2.801 17821
42 1 7 "Average Difference" HN 53 0.418 0.139 0.398 17821
43 1 8 "Average Difference" N 53 2.052 -0.085 2.070 17821
44 1 8 "Average Difference" HA 60 0.308 0.126 0.284 17821
45 1 8 "Average Difference" C 53 2.693 2.503 1.002 17821
46 1 8 "Average Difference" CA 60 3.387 2.723 2.032 17821
47 1 8 "Average Difference" CB 56 3.676 2.181 2.985 17821
48 1 8 "Average Difference" HN 53 0.405 0.101 0.396 17821
49 1 9 "Average Difference" N 53 1.877 -0.095 1.893 17821
50 1 9 "Average Difference" HA 60 0.289 0.123 0.264 17821
51 1 9 "Average Difference" C 53 2.840 2.674 0.968 17821
52 1 9 "Average Difference" CA 60 3.387 2.823 1.887 17821
53 1 9 "Average Difference" CB 56 3.623 2.130 2.958 17821
54 1 9 "Average Difference" HN 53 0.452 0.101 0.445 17821
55 1 10 "Average Difference" N 53 1.745 -0.001 1.762 17821
56 1 10 "Average Difference" HA 60 0.317 0.118 0.297 17821
57 1 10 "Average Difference" C 53 2.778 2.611 0.958 17821
58 1 10 "Average Difference" CA 60 3.405 2.808 1.942 17821
59 1 10 "Average Difference" CB 56 3.594 2.234 2.841 17821
60 1 10 "Average Difference" HN 53 0.406 0.107 0.395 17821
61 1 11 "Average Difference" N 53 2.065 -0.082 2.083 17821
62 1 11 "Average Difference" HA 60 0.273 0.099 0.256 17821
63 1 11 "Average Difference" C 53 2.841 2.657 1.016 17821
64 1 11 "Average Difference" CA 60 3.372 2.790 1.908 17821
65 1 11 "Average Difference" CB 56 3.618 2.114 2.962 17821
66 1 11 "Average Difference" HN 53 0.426 0.069 0.424 17821
67 1 12 "Average Difference" N 53 1.962 -0.007 1.981 17821
68 1 12 "Average Difference" HA 60 0.346 0.137 0.320 17821
69 1 12 "Average Difference" C 53 2.646 2.450 1.010 17821
70 1 12 "Average Difference" CA 60 3.310 2.748 1.861 17821
71 1 12 "Average Difference" CB 56 3.784 2.311 3.024 17821
72 1 12 "Average Difference" HN 53 0.489 0.143 0.472 17821
73 1 13 "Average Difference" N 53 2.010 0.088 2.027 17821
74 1 13 "Average Difference" HA 60 0.308 0.118 0.287 17821
75 1 13 "Average Difference" C 53 2.645 2.462 0.976 17821
76 1 13 "Average Difference" CA 60 3.389 2.819 1.897 17821
77 1 13 "Average Difference" CB 56 3.723 2.288 2.964 17821
78 1 13 "Average Difference" HN 53 0.422 0.117 0.409 17821
79 1 14 "Average Difference" N 53 2.223 -0.188 2.236 17821
80 1 14 "Average Difference" HA 60 0.312 0.117 0.291 17821
81 1 14 "Average Difference" C 53 2.812 2.616 1.041 17821
82 1 14 "Average Difference" CA 60 3.315 2.755 1.858 17821
83 1 14 "Average Difference" CB 56 3.649 2.058 3.040 17821
84 1 14 "Average Difference" HN 53 0.499 0.113 0.491 17821
85 1 15 "Average Difference" N 53 2.197 -0.270 2.202 17821
86 1 15 "Average Difference" HA 60 0.321 0.115 0.303 17821
87 1 15 "Average Difference" C 53 2.707 2.518 1.004 17821
88 1 15 "Average Difference" CA 60 3.388 2.776 1.959 17821
89 1 15 "Average Difference" CB 56 3.654 2.249 2.906 17821
90 1 15 "Average Difference" HN 53 0.443 0.072 0.441 17821
91 1 16 "Average Difference" N 53 2.085 0.272 2.087 17821
92 1 16 "Average Difference" HA 60 0.297 0.121 0.274 17821
93 1 16 "Average Difference" C 53 2.716 2.538 0.978 17821
94 1 16 "Average Difference" CA 60 3.314 2.809 1.773 17821
95 1 16 "Average Difference" CB 56 3.594 2.217 2.854 17821
96 1 16 "Average Difference" HN 53 0.380 0.120 0.364 17821
97 1 17 "Average Difference" N 53 2.113 -0.179 2.125 17821
98 1 17 "Average Difference" HA 60 0.316 0.126 0.293 17821
99 1 17 "Average Difference" C 53 2.816 2.598 1.098 17821
100 1 17 "Average Difference" CA 60 3.420 2.851 1.904 17821
101 1 17 "Average Difference" CB 56 3.725 2.263 2.985 17821
102 1 17 "Average Difference" HN 53 0.451 0.168 0.423 17821
103 1 18 "Average Difference" N 53 1.980 -0.522 1.928 17821
104 1 18 "Average Difference" HA 60 0.329 0.134 0.302 17821
105 1 18 "Average Difference" C 53 2.701 2.528 0.960 17821
106 1 18 "Average Difference" CA 60 3.426 2.737 2.079 17821
107 1 18 "Average Difference" CB 56 3.796 2.302 3.046 17821
108 1 18 "Average Difference" HN 53 0.417 0.095 0.410 17821
109 1 19 "Average Difference" N 53 2.221 -0.167 2.236 17821
110 1 19 "Average Difference" HA 60 0.273 0.092 0.259 17821
111 1 19 "Average Difference" C 53 2.705 2.527 0.975 17821
112 1 19 "Average Difference" CA 60 3.375 2.879 1.777 17821
113 1 19 "Average Difference" CB 56 3.597 2.144 2.915 17821
114 1 19 "Average Difference" HN 53 0.454 0.095 0.448 17821
115 1 20 "Average Difference" N 53 2.143 0.068 2.162 17821
116 1 20 "Average Difference" HA 60 0.328 0.119 0.309 17821
117 1 20 "Average Difference" C 53 2.832 2.659 0.984 17821
118 1 20 "Average Difference" CA 60 3.402 2.731 2.047 17821
119 1 20 "Average Difference" CB 56 3.715 2.165 3.047 17821
120 1 20 "Average Difference" HN 53 0.401 0.133 0.382 17821
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 17821
_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 4 4 THR N N 4 117.400 117.400 117.177 0.223 17821
2 1 . 1 1 4 4 THR HA H 4 4.130 4.130 4.368 -0.238 17821
3 1 . 1 1 4 4 THR C C 4 170.800 170.800 173.780 -2.979 17821
4 1 . 1 1 4 4 THR CA C 4 58.800 58.800 61.687 -2.887 17821
5 1 . 1 1 4 4 THR CB C 4 67.000 67.000 69.690 -2.690 17821
6 1 . 1 1 4 4 THR H H 4 7.980 7.980 8.069 -0.089 17821
7 1 . 1 1 5 5 MET N N 5 124.400 124.400 123.044 1.356 17821
8 1 . 1 1 5 5 MET C C 5 171.200 171.200 174.478 -3.278 17821
9 1 . 1 1 5 5 MET CA C 5 50.400 50.400 53.457 -3.057 17821
10 1 . 1 1 5 5 MET CB C 5 29.600 29.600 32.680 -3.080 17821
11 1 . 1 1 5 5 MET H H 5 8.250 8.250 8.185 0.065 17821
12 1 . 1 1 6 6 PRO HA H 6 4.280 4.280 4.463 -0.183 17821
13 1 . 1 1 6 6 PRO CA C 6 60.500 60.500 63.311 -2.811 17821
14 1 . 1 1 6 6 PRO CB C 6 29.200 29.200 32.170 -2.970 17821
15 1 . 1 1 7 7 GLY N N 7 109.000 109.000 110.041 -1.041 17821
16 1 . 1 1 7 7 GLY C C 7 171.200 171.200 175.006 -3.806 17821
17 1 . 1 1 7 7 GLY CA C 7 42.400 42.400 45.346 -2.946 17821
18 1 . 1 1 7 7 GLY H H 7 8.360 8.360 8.565 -0.205 17821
19 1 . 1 1 8 8 LEU N N 8 121.700 121.700 121.892 -0.192 17821
20 1 . 1 1 8 8 LEU HA H 8 4.260 4.260 4.479 -0.219 17821
21 1 . 1 1 8 8 LEU C C 8 174.600 174.600 176.274 -1.674 17821
22 1 . 1 1 8 8 LEU CA C 8 52.300 52.300 54.717 -2.417 17821
23 1 . 1 1 8 8 LEU CB C 8 39.400 39.400 40.381 -0.981 17821
24 1 . 1 1 8 8 LEU H H 8 7.920 7.920 7.978 -0.058 17821
25 1 . 1 1 9 9 VAL N N 9 120.900 120.900 119.617 1.283 17821
26 1 . 1 1 9 9 VAL HA H 9 3.980 3.980 4.313 -0.333 17821
27 1 . 1 1 9 9 VAL C C 9 172.900 172.900 175.132 -2.232 17821
28 1 . 1 1 9 9 VAL CA C 9 59.400 59.400 61.121 -1.721 17821
29 1 . 1 1 9 9 VAL CB C 9 30.000 30.000 33.378 -3.378 17821
30 1 . 1 1 9 9 VAL H H 9 8.050 8.050 7.658 0.392 17821
31 1 . 1 1 10 10 ASP N N 10 124.300 124.300 126.059 -1.759 17821
32 1 . 1 1 10 10 ASP HA H 10 4.470 4.470 4.750 -0.280 17821
33 1 . 1 1 10 10 ASP C C 10 173.100 173.100 175.849 -2.749 17821
34 1 . 1 1 10 10 ASP CA C 10 51.500 51.500 54.185 -2.685 17821
35 1 . 1 1 10 10 ASP CB C 10 38.300 38.300 40.998 -2.698 17821
36 1 . 1 1 10 10 ASP H H 10 8.300 8.300 8.515 -0.214 17821
37 1 . 1 1 11 11 SER N N 11 116.400 116.400 118.220 -1.820 17821
38 1 . 1 1 11 11 SER HA H 11 4.290 4.290 4.459 -0.169 17821
39 1 . 1 1 11 11 SER C C 11 171.200 171.200 174.061 -2.861 17821
40 1 . 1 1 11 11 SER CA C 11 55.500 55.500 58.158 -2.658 17821
41 1 . 1 1 11 11 SER CB C 11 60.900 60.900 63.817 -2.917 17821
42 1 . 1 1 11 11 SER H H 11 8.130 8.130 8.389 -0.259 17821
43 1 . 1 1 12 12 ASN N N 12 121.600 121.600 121.165 0.435 17821
44 1 . 1 1 12 12 ASN HA H 12 4.230 4.230 4.925 -0.695 17821
45 1 . 1 1 12 12 ASN C C 12 170.000 170.000 173.484 -3.484 17821
46 1 . 1 1 12 12 ASN CA C 12 56.500 56.500 51.861 4.639 17821
47 1 . 1 1 12 12 ASN CB C 12 36.000 36.000 38.664 -2.664 17821
48 1 . 1 1 12 12 ASN H H 12 8.360 8.360 8.257 0.103 17821
49 1 . 1 1 13 13 PRO HA H 13 4.290 4.290 4.480 -0.190 17821
50 1 . 1 1 13 13 PRO CA C 13 60.300 60.300 62.828 -2.528 17821
51 1 . 1 1 13 13 PRO CB C 13 29.200 29.200 32.320 -3.120 17821
52 1 . 1 1 14 14 ALA N N 14 125.700 125.700 123.553 2.147 17821
53 1 . 1 1 14 14 ALA HA H 14 4.410 4.410 4.325 0.085 17821
54 1 . 1 1 14 14 ALA C C 14 172.200 172.200 176.199 -3.999 17821
55 1 . 1 1 14 14 ALA CA C 14 47.500 47.500 51.218 -3.718 17821
56 1 . 1 1 14 14 ALA CB C 14 15.100 15.100 18.186 -3.086 17821
57 1 . 1 1 14 14 ALA H H 14 8.260 8.260 8.249 0.011 17821
58 1 . 1 1 16 16 PRO HA H 16 4.280 4.280 4.535 -0.255 17821
59 1 . 1 1 16 16 PRO CA C 16 60.500 60.500 62.951 -2.451 17821
60 1 . 1 1 16 16 PRO CB C 16 29.200 29.200 32.352 -3.152 17821
61 1 . 1 1 17 17 GLU N N 17 120.600 120.600 120.444 0.156 17821
62 1 . 1 1 17 17 GLU HA H 17 4.120 4.120 4.356 -0.236 17821
63 1 . 1 1 17 17 GLU C C 17 173.900 173.900 175.821 -1.921 17821
64 1 . 1 1 17 17 GLU CA C 17 54.100 54.100 56.251 -2.151 17821
65 1 . 1 1 17 17 GLU CB C 17 27.100 27.100 30.589 -3.489 17821
66 1 . 1 1 17 17 GLU H H 17 8.550 8.550 8.503 0.047 17821
67 1 . 1 1 18 18 SER N N 18 116.400 116.400 116.828 -0.428 17821
68 1 . 1 1 18 18 SER HA H 18 4.310 4.310 4.518 -0.208 17821
69 1 . 1 1 18 18 SER C C 18 171.900 171.900 174.246 -2.346 17821
70 1 . 1 1 18 18 SER CA C 18 55.600 55.600 58.123 -2.523 17821
71 1 . 1 1 18 18 SER CB C 18 60.800 60.800 63.916 -3.116 17821
72 1 . 1 1 18 18 SER H H 18 8.240 8.240 8.268 -0.028 17821
73 1 . 1 1 19 19 GLN N N 19 122.300 122.300 122.379 -0.079 17821
74 1 . 1 1 19 19 GLN HA H 19 4.200 4.200 4.414 -0.214 17821
75 1 . 1 1 19 19 GLN C C 19 173.100 173.100 175.247 -2.147 17821
76 1 . 1 1 19 19 GLN CA C 19 53.000 53.000 55.835 -2.835 17821
77 1 . 1 1 19 19 GLN CB C 19 26.500 26.500 29.346 -2.846 17821
78 1 . 1 1 19 19 GLN H H 19 8.310 8.310 8.452 -0.142 17821
79 1 . 1 1 20 20 GLU N N 20 121.600 121.600 121.297 0.303 17821
80 1 . 1 1 20 20 GLU HA H 20 4.290 4.290 4.438 -0.148 17821
81 1 . 1 1 20 20 GLU C C 20 173.500 173.500 175.692 -2.192 17821
82 1 . 1 1 20 20 GLU CA C 20 53.900 53.900 56.051 -2.151 17821
83 1 . 1 1 20 20 GLU CB C 20 27.400 27.400 30.914 -3.514 17821
84 1 . 1 1 20 20 GLU H H 20 8.240 8.240 8.326 -0.085 17821
85 1 . 1 1 21 21 LYS N N 21 122.900 122.900 122.643 0.257 17821
86 1 . 1 1 21 21 LYS HA H 21 4.180 4.180 4.384 -0.204 17821
87 1 . 1 1 21 21 LYS C C 21 173.400 173.400 175.949 -2.549 17821
88 1 . 1 1 21 21 LYS CA C 21 53.300 53.300 56.197 -2.897 17821
89 1 . 1 1 21 21 LYS CB C 21 29.800 29.800 33.393 -3.593 17821
90 1 . 1 1 21 21 LYS H H 21 8.260 8.260 8.334 -0.074 17821
91 1 . 1 1 22 22 LYS N N 22 124.000 124.000 124.507 -0.507 17821
92 1 . 1 1 22 22 LYS HA H 22 4.450 4.450 4.588 -0.138 17821
93 1 . 1 1 22 22 LYS C C 22 171.500 171.500 174.919 -3.419 17821
94 1 . 1 1 22 22 LYS CA C 22 51.200 51.200 54.380 -3.180 17821
95 1 . 1 1 22 22 LYS CB C 22 29.500 29.500 32.312 -2.813 17821
96 1 . 1 1 22 22 LYS H H 22 8.220 8.220 8.436 -0.216 17821
97 1 . 1 1 23 23 PRO HA H 23 4.290 4.290 4.450 -0.160 17821
98 1 . 1 1 23 23 PRO CA C 23 60.100 60.100 62.773 -2.673 17821
99 1 . 1 1 23 23 PRO CB C 23 29.200 29.200 32.319 -3.119 17821
100 1 . 1 1 24 24 LEU N N 24 122.700 122.700 122.015 0.685 17821
101 1 . 1 1 24 24 LEU HA H 24 4.160 4.160 4.520 -0.360 17821
102 1 . 1 1 24 24 LEU C C 24 174.400 174.400 176.480 -2.080 17821
103 1 . 1 1 24 24 LEU CA C 24 52.400 52.400 54.706 -2.306 17821
104 1 . 1 1 24 24 LEU CB C 24 39.600 39.600 42.590 -2.990 17821
105 1 . 1 1 24 24 LEU H H 24 8.270 8.270 8.281 -0.011 17821
106 1 . 1 1 25 25 LYS N N 25 123.400 123.400 124.322 -0.922 17821
107 1 . 1 1 25 25 LYS C C 25 171.600 171.600 174.660 -3.060 17821
108 1 . 1 1 25 25 LYS CA C 25 50.900 50.900 54.195 -3.295 17821
109 1 . 1 1 25 25 LYS CB C 25 29.800 29.800 32.916 -3.116 17821
110 1 . 1 1 25 25 LYS H H 25 8.180 8.180 8.366 -0.186 17821
111 1 . 1 1 28 28 CYS CA C 28 46.000 46.000 59.233 -13.233 17821
112 1 . 1 1 28 28 CYS CB C 28 31.000 31.000 27.323 3.677 17821
113 1 . 1 1 29 29 ALA N N 29 123.800 123.800 123.497 0.303 17821
114 1 . 1 1 29 29 ALA HA H 29 4.150 4.150 4.580 -0.430 17821
115 1 . 1 1 29 29 ALA C C 29 173.200 173.200 175.963 -2.763 17821
116 1 . 1 1 29 29 ALA CA C 29 49.700 49.700 51.553 -1.853 17821
117 1 . 1 1 29 29 ALA CB C 29 17.600 17.600 20.992 -3.392 17821
118 1 . 1 1 29 29 ALA H H 29 8.050 8.050 7.756 0.294 17821
119 1 . 1 1 30 30 SER N N 30 112.800 112.800 115.186 -2.386 17821
120 1 . 1 1 30 30 SER HA H 30 4.580 4.580 5.023 -0.443 17821
121 1 . 1 1 30 30 SER C C 30 173.300 173.300 173.878 -0.578 17821
122 1 . 1 1 30 30 SER CA C 30 52.600 52.600 55.528 -2.928 17821
123 1 . 1 1 30 30 SER CB C 30 59.400 59.400 63.074 -3.674 17821
124 1 . 1 1 30 30 SER H H 30 8.270 8.270 8.665 -0.395 17821
125 1 . 1 1 31 31 PRO HA H 31 4.160 4.160 4.254 -0.094 17821
126 1 . 1 1 31 31 PRO CA C 31 61.800 61.800 64.971 -3.171 17821
127 1 . 1 1 31 31 PRO CB C 31 29.300 29.300 31.965 -2.665 17821
128 1 . 1 1 32 32 GLU N N 32 119.100 119.100 117.970 1.130 17821
129 1 . 1 1 32 32 GLU HA H 32 4.060 4.060 4.065 -0.005 17821
130 1 . 1 1 32 32 GLU C C 32 177.300 177.300 178.485 -1.185 17821
131 1 . 1 1 32 32 GLU CA C 32 56.900 56.900 59.758 -2.858 17821
132 1 . 1 1 32 32 GLU CB C 32 26.000 26.000 28.597 -2.597 17821
133 1 . 1 1 32 32 GLU H H 32 8.720 8.720 8.892 -0.172 17821
134 1 . 1 1 33 33 THR N N 33 110.800 110.800 112.463 -1.663 17821
135 1 . 1 1 33 33 THR HA H 33 4.040 4.040 4.112 -0.072 17821
136 1 . 1 1 33 33 THR C C 33 176.000 176.000 176.397 -0.397 17821
137 1 . 1 1 33 33 THR CA C 33 61.700 61.700 65.661 -3.961 17821
138 1 . 1 1 33 33 THR CB C 33 64.100 64.100 68.719 -4.619 17821
139 1 . 1 1 33 33 THR H H 33 7.620 7.620 7.941 -0.321 17821
140 1 . 1 1 34 34 LYS N N 34 127.100 127.100 122.475 4.625 17821
141 1 . 1 1 34 34 LYS HA H 34 2.920 2.920 3.900 -0.980 17821
142 1 . 1 1 34 34 LYS C C 34 174.300 174.300 178.547 -4.247 17821
143 1 . 1 1 34 34 LYS CA C 34 57.300 57.300 59.498 -2.198 17821
144 1 . 1 1 34 34 LYS CB C 34 30.000 30.000 32.136 -2.136 17821
145 1 . 1 1 34 34 LYS H H 34 7.740 7.740 7.801 -0.061 17821
146 1 . 1 1 35 35 LYS N N 35 118.500 118.500 119.216 -0.716 17821
147 1 . 1 1 35 35 LYS HA H 35 3.890 3.890 4.086 -0.196 17821
148 1 . 1 1 35 35 LYS C C 35 176.500 176.500 178.958 -2.458 17821
149 1 . 1 1 35 35 LYS CA C 35 56.700 56.700 58.980 -2.280 17821
150 1 . 1 1 35 35 LYS CB C 35 29.500 29.500 31.946 -2.446 17821
151 1 . 1 1 35 35 LYS H H 35 7.880 7.880 8.226 -0.346 17821
152 1 . 1 1 36 36 ALA N N 36 120.100 120.100 122.034 -1.934 17821
153 1 . 1 1 36 36 ALA HA H 36 4.040 4.040 4.115 -0.075 17821
154 1 . 1 1 36 36 ALA C C 36 177.600 177.600 179.530 -1.930 17821
155 1 . 1 1 36 36 ALA CA C 36 52.000 52.000 55.019 -3.019 17821
156 1 . 1 1 36 36 ALA CB C 36 15.400 15.400 18.382 -2.982 17821
157 1 . 1 1 36 36 ALA H H 36 7.490 7.490 8.168 -0.678 17821
158 1 . 1 1 37 37 ARG N N 37 118.500 118.500 119.239 -0.739 17821
159 1 . 1 1 37 37 ARG HA H 37 3.620 3.620 3.956 -0.336 17821
160 1 . 1 1 37 37 ARG C C 37 174.100 174.100 177.995 -3.895 17821
161 1 . 1 1 37 37 ARG CA C 37 56.600 56.600 59.626 -3.026 17821
162 1 . 1 1 37 37 ARG CB C 37 27.100 27.100 29.985 -2.885 17821
163 1 . 1 1 37 37 ARG H H 37 7.630 7.630 8.312 -0.682 17821
164 1 . 1 1 38 38 ASP N N 38 120.200 120.200 119.392 0.808 17821
165 1 . 1 1 38 38 ASP HA H 38 4.270 4.270 4.352 -0.082 17821
166 1 . 1 1 38 38 ASP C C 38 175.500 175.500 178.502 -3.002 17821
167 1 . 1 1 38 38 ASP CA C 38 54.700 54.700 57.336 -2.636 17821
168 1 . 1 1 38 38 ASP CB C 38 36.200 36.200 40.358 -4.158 17821
169 1 . 1 1 38 38 ASP H H 38 8.680 8.680 8.236 0.444 17821
170 1 . 1 1 39 39 ALA N N 39 121.100 121.100 122.042 -0.942 17821
171 1 . 1 1 39 39 ALA HA H 39 4.010 4.010 4.079 -0.069 17821
172 1 . 1 1 39 39 ALA C C 39 176.800 176.800 179.498 -2.698 17821
173 1 . 1 1 39 39 ALA CA C 39 52.100 52.100 55.303 -3.203 17821
174 1 . 1 1 39 39 ALA CB C 39 15.200 15.200 18.264 -3.064 17821
175 1 . 1 1 39 39 ALA H H 39 8.040 8.040 8.178 -0.138 17821
176 1 . 1 1 40 40 CYS N N 40 117.600 117.600 118.107 -0.507 17821
177 1 . 1 1 40 40 CYS HA H 40 4.180 4.180 4.195 -0.015 17821
178 1 . 1 1 40 40 CYS C C 40 173.800 173.800 176.884 -3.084 17821
179 1 . 1 1 40 40 CYS CA C 40 57.900 57.900 62.758 -4.858 17821
180 1 . 1 1 40 40 CYS CB C 40 36.400 36.400 25.995 10.405 17821
181 1 . 1 1 40 40 CYS H H 40 7.340 7.340 8.080 -0.740 17821
182 1 . 1 1 41 41 ILE N N 41 121.500 121.500 121.050 0.450 17821
183 1 . 1 1 41 41 ILE HA H 41 3.050 3.050 3.829 -0.779 17821
184 1 . 1 1 41 41 ILE C C 41 176.100 176.100 178.386 -2.286 17821
185 1 . 1 1 41 41 ILE CA C 41 63.400 63.400 64.649 -1.249 17821
186 1 . 1 1 41 41 ILE CB C 41 35.300 35.300 37.772 -2.472 17821
187 1 . 1 1 41 41 ILE H H 41 8.230 8.230 8.449 -0.219 17821
188 1 . 1 1 42 42 ILE N N 42 119.200 119.200 119.943 -0.743 17821
189 1 . 1 1 42 42 ILE HA H 42 3.690 3.690 3.705 -0.015 17821
190 1 . 1 1 42 42 ILE C C 42 174.200 174.200 177.797 -3.597 17821
191 1 . 1 1 42 42 ILE CA C 42 61.300 61.300 64.580 -3.280 17821
192 1 . 1 1 42 42 ILE CB C 42 35.800 35.800 37.569 -1.769 17821
193 1 . 1 1 42 42 ILE H H 42 7.770 7.770 8.132 -0.362 17821
194 1 . 1 1 43 43 GLU N N 43 118.700 118.700 118.972 -0.272 17821
195 1 . 1 1 43 43 GLU HA H 43 4.050 4.050 4.199 -0.149 17821
196 1 . 1 1 43 43 GLU C C 43 175.300 175.300 177.848 -2.548 17821
197 1 . 1 1 43 43 GLU CA C 43 56.300 56.300 58.686 -2.385 17821
198 1 . 1 1 43 43 GLU CB C 43 28.200 28.200 30.359 -2.159 17821
199 1 . 1 1 43 43 GLU H H 43 7.600 7.600 8.130 -0.530 17821
200 1 . 1 1 44 44 LYS N N 44 114.600 114.600 115.311 -0.711 17821
201 1 . 1 1 44 44 LYS HA H 44 4.450 4.450 4.545 -0.095 17821
202 1 . 1 1 44 44 LYS C C 44 174.500 174.500 176.179 -1.679 17821
203 1 . 1 1 44 44 LYS CA C 44 53.800 53.800 56.302 -2.502 17821
204 1 . 1 1 44 44 LYS CB C 44 32.700 32.700 35.250 -2.550 17821
205 1 . 1 1 44 44 LYS H H 44 8.860 8.860 8.391 0.469 17821
206 1 . 1 1 45 45 GLY N N 45 108.700 108.700 108.573 0.127 17821
207 1 . 1 1 45 45 GLY C C 45 171.000 171.000 174.897 -3.897 17821
208 1 . 1 1 45 45 GLY CA C 45 41.300 41.300 44.567 -3.267 17821
209 1 . 1 1 45 45 GLY H H 45 7.690 7.690 7.757 -0.067 17821
210 1 . 1 1 46 46 GLU N N 46 120.800 120.800 121.930 -1.130 17821
211 1 . 1 1 46 46 GLU HA H 46 3.440 3.440 3.914 -0.474 17821
212 1 . 1 1 46 46 GLU C C 46 175.800 175.800 177.945 -2.145 17821
213 1 . 1 1 46 46 GLU CA C 46 58.300 58.300 59.454 -1.154 17821
214 1 . 1 1 46 46 GLU CB C 46 27.100 27.100 29.591 -2.491 17821
215 1 . 1 1 46 46 GLU H H 46 8.900 8.900 8.896 0.004 17821
216 1 . 1 1 47 47 GLU N N 47 118.700 118.700 117.306 1.394 17821
217 1 . 1 1 47 47 GLU HA H 47 3.940 3.940 4.129 -0.189 17821
218 1 . 1 1 47 47 GLU C C 47 174.300 174.300 177.175 -2.875 17821
219 1 . 1 1 47 47 GLU CA C 47 55.900 55.900 57.398 -1.498 17821
220 1 . 1 1 47 47 GLU CB C 47 25.500 25.500 28.907 -3.407 17821
221 1 . 1 1 47 47 GLU H H 47 9.530 9.530 8.625 0.905 17821
222 1 . 1 1 48 48 HIS N N 48 117.500 117.500 115.706 1.794 17821
223 1 . 1 1 48 48 HIS HA H 48 4.870 4.870 4.777 0.093 17821
224 1 . 1 1 48 48 HIS C C 48 173.300 173.300 174.775 -1.475 17821
225 1 . 1 1 48 48 HIS CA C 48 53.100 53.100 56.002 -2.902 17821
226 1 . 1 1 48 48 HIS CB C 48 28.900 28.900 30.659 -1.759 17821
227 1 . 1 1 48 48 HIS H H 48 7.500 7.500 7.832 -0.332 17821
228 1 . 1 1 49 49 CYS N N 49 116.100 116.100 119.162 -3.062 17821
229 1 . 1 1 49 49 CYS HA H 49 5.050 5.050 4.889 0.161 17821
230 1 . 1 1 49 49 CYS C C 49 173.700 173.700 175.788 -2.088 17821
231 1 . 1 1 49 49 CYS CA C 49 51.700 51.700 57.873 -6.173 17821
232 1 . 1 1 49 49 CYS CB C 49 39.500 39.500 26.899 12.601 17821
233 1 . 1 1 49 49 CYS H H 49 7.460 7.460 7.780 -0.320 17821
234 1 . 1 1 50 50 GLY N N 50 112.900 112.900 110.149 2.751 17821
235 1 . 1 1 50 50 GLY C C 50 172.500 172.500 175.710 -3.210 17821
236 1 . 1 1 50 50 GLY CA C 50 45.300 45.300 47.468 -2.168 17821
237 1 . 1 1 50 50 GLY H H 50 9.150 9.150 8.673 0.477 17821
238 1 . 1 1 51 51 HIS C C 51 175.400 175.400 177.105 -1.705 17821
239 1 . 1 1 51 51 HIS CA C 51 56.400 56.400 58.332 -1.932 17821
240 1 . 1 1 51 51 HIS CB C 51 26.000 26.000 29.695 -3.695 17821
241 1 . 1 1 52 52 LEU N N 52 122.000 122.000 121.303 0.697 17821
242 1 . 1 1 52 52 LEU HA H 52 4.110 4.110 4.143 -0.033 17821
243 1 . 1 1 52 52 LEU C C 52 177.700 177.700 178.735 -1.035 17821
244 1 . 1 1 52 52 LEU CA C 52 53.800 53.800 57.124 -3.324 17821
245 1 . 1 1 52 52 LEU CB C 52 39.500 39.500 41.216 -1.716 17821
246 1 . 1 1 52 52 LEU H H 52 6.810 6.810 7.816 -1.006 17821
247 1 . 1 1 53 53 ILE N N 53 124.200 124.200 120.464 3.736 17821
248 1 . 1 1 53 53 ILE HA H 53 3.430 3.430 3.565 -0.135 17821
249 1 . 1 1 53 53 ILE C C 53 176.100 176.100 178.291 -2.191 17821
250 1 . 1 1 53 53 ILE CA C 53 63.200 63.200 65.902 -2.702 17821
251 1 . 1 1 53 53 ILE CB C 53 35.900 35.900 37.831 -1.932 17821
252 1 . 1 1 53 53 ILE H H 53 8.170 8.170 8.378 -0.208 17821
253 1 . 1 1 54 54 GLU N N 54 120.600 120.600 120.192 0.408 17821
254 1 . 1 1 54 54 GLU HA H 54 4.030 4.030 3.915 0.115 17821
255 1 . 1 1 54 54 GLU C C 54 175.400 175.400 178.631 -3.231 17821
256 1 . 1 1 54 54 GLU CA C 54 56.100 56.100 59.898 -3.798 17821
257 1 . 1 1 54 54 GLU CB C 54 26.000 26.000 29.629 -3.629 17821
258 1 . 1 1 54 54 GLU H H 54 8.380 8.380 8.236 0.144 17821
259 1 . 1 1 55 55 ALA N N 55 120.800 120.800 121.843 -1.042 17821
260 1 . 1 1 55 55 ALA HA H 55 4.120 4.120 4.027 0.093 17821
261 1 . 1 1 55 55 ALA C C 55 177.900 177.900 179.348 -1.448 17821
262 1 . 1 1 55 55 ALA CA C 55 52.200 52.200 55.167 -2.967 17821
263 1 . 1 1 55 55 ALA CB C 55 15.100 15.100 18.167 -3.067 17821
264 1 . 1 1 55 55 ALA H H 55 7.880 7.880 8.005 -0.125 17821
265 1 . 1 1 56 56 HIS N N 56 117.400 117.400 118.778 -1.378 17821
266 1 . 1 1 56 56 HIS HA H 56 4.300 4.300 4.282 0.018 17821
267 1 . 1 1 56 56 HIS C C 56 173.500 173.500 177.429 -3.929 17821
268 1 . 1 1 56 56 HIS CA C 56 57.000 57.000 59.510 -2.510 17821
269 1 . 1 1 56 56 HIS CB C 56 28.300 28.300 30.187 -1.887 17821
270 1 . 1 1 56 56 HIS H H 56 7.640 7.640 8.464 -0.824 17821
271 1 . 1 1 57 57 LYS N N 57 119.200 119.200 119.312 -0.112 17821
272 1 . 1 1 57 57 LYS HA H 57 3.600 3.600 3.911 -0.311 17821
273 1 . 1 1 57 57 LYS C C 57 176.200 176.200 178.908 -2.708 17821
274 1 . 1 1 57 57 LYS CA C 57 57.600 57.600 59.598 -1.998 17821
275 1 . 1 1 57 57 LYS CB C 57 29.500 29.500 32.056 -2.556 17821
276 1 . 1 1 57 57 LYS H H 57 7.620 7.620 8.317 -0.697 17821
277 1 . 1 1 58 58 GLU N N 58 118.400 118.400 120.292 -1.892 17821
278 1 . 1 1 58 58 GLU HA H 58 3.970 3.970 4.038 -0.068 17821
279 1 . 1 1 58 58 GLU C C 58 176.200 176.200 178.980 -2.780 17821
280 1 . 1 1 58 58 GLU CA C 58 56.200 56.200 59.032 -2.832 17821
281 1 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.340 -3.040 17821
282 1 . 1 1 58 58 GLU H H 58 8.490 8.490 8.373 0.117 17821
283 1 . 1 1 59 59 SER N N 59 116.100 116.100 115.670 0.430 17821
284 1 . 1 1 59 59 SER HA H 59 4.150 4.150 4.180 -0.030 17821
285 1 . 1 1 59 59 SER CA C 59 58.400 58.400 61.532 -3.132 17821
286 1 . 1 1 59 59 SER CB C 59 60.300 60.300 63.174 -2.873 17821
287 1 . 1 1 59 59 SER H H 59 7.790 7.790 8.184 -0.394 17821
288 1 . 1 1 60 60 MET N N 60 117.500 117.500 118.854 -1.354 17821
289 1 . 1 1 60 60 MET HA H 60 4.170 4.170 4.161 0.009 17821
290 1 . 1 1 60 60 MET C C 60 176.400 176.400 177.794 -1.394 17821
291 1 . 1 1 60 60 MET CA C 60 54.400 54.400 56.111 -1.711 17821
292 1 . 1 1 60 60 MET CB C 60 29.100 29.100 32.053 -2.953 17821
293 1 . 1 1 60 60 MET H H 60 7.880 7.880 8.034 -0.154 17821
294 1 . 1 1 61 61 ARG N N 61 121.300 121.300 121.093 0.207 17821
295 1 . 1 1 61 61 ARG HA H 61 4.170 4.170 3.975 0.195 17821
296 1 . 1 1 61 61 ARG C C 61 177.500 177.500 178.370 -0.870 17821
297 1 . 1 1 61 61 ARG CA C 61 56.100 56.100 59.086 -2.986 17821
298 1 . 1 1 61 61 ARG CB C 61 27.500 27.500 30.108 -2.608 17821
299 1 . 1 1 61 61 ARG H H 61 8.290 8.290 8.248 0.042 17821
300 1 . 1 1 62 62 ALA N N 62 123.200 123.200 122.110 1.090 17821
301 1 . 1 1 62 62 ALA HA H 62 4.070 4.070 4.112 -0.042 17821
302 1 . 1 1 62 62 ALA C C 62 176.400 176.400 178.648 -2.248 17821
303 1 . 1 1 62 62 ALA CA C 62 51.500 51.500 54.157 -2.657 17821
304 1 . 1 1 62 62 ALA CB C 62 15.100 15.100 18.397 -3.297 17821
305 1 . 1 1 62 62 ALA H H 62 7.950 7.950 7.832 0.118 17821
306 1 . 1 1 63 63 LEU N N 63 117.500 117.500 116.627 0.873 17821
307 1 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.215 -0.015 17821
308 1 . 1 1 63 63 LEU C C 63 174.400 174.400 177.543 -3.143 17821
309 1 . 1 1 63 63 LEU CA C 63 52.900 52.900 54.392 -1.492 17821
310 1 . 1 1 63 63 LEU CB C 63 39.800 39.800 41.081 -1.281 17821
311 1 . 1 1 63 63 LEU H H 63 7.450 7.450 7.348 0.102 17821
312 1 . 1 1 64 64 GLY N N 64 106.300 106.300 107.647 -1.347 17821
313 1 . 1 1 64 64 GLY C C 64 171.400 171.400 175.126 -3.726 17821
314 1 . 1 1 64 64 GLY CA C 64 42.100 42.100 45.947 -3.848 17821
315 1 . 1 1 64 64 GLY H H 64 7.780 7.780 7.669 0.111 17821
316 1 . 1 1 65 65 PHE N N 65 119.800 119.800 116.225 3.575 17821
317 1 . 1 1 65 65 PHE HA H 65 4.470 4.470 4.893 -0.423 17821
318 1 . 1 1 65 65 PHE C C 65 172.300 172.300 175.242 -2.942 17821
319 1 . 1 1 65 65 PHE CA C 65 54.900 54.900 55.888 -0.988 17821
320 1 . 1 1 65 65 PHE CB C 65 36.900 36.900 38.687 -1.787 17821
321 1 . 1 1 65 65 PHE H H 65 7.840 7.840 7.455 0.385 17821
322 1 . 1 1 66 66 LYS N N 66 124.000 124.000 121.288 2.712 17821
323 1 . 1 1 66 66 LYS HA H 66 4.260 4.260 4.473 -0.213 17821
324 1 . 1 1 66 66 LYS C C 66 172.200 172.200 175.663 -3.463 17821
325 1 . 1 1 66 66 LYS CA C 66 53.200 53.200 56.806 -3.606 17821
326 1 . 1 1 66 66 LYS CB C 66 29.300 29.300 33.637 -4.337 17821
327 1 . 1 1 66 66 LYS H H 66 8.370 8.370 8.116 0.254 17821
stop_
save_