data_19673
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19673
_Entry.PDB_ID 2MIC
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 19673
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 ARG N N 2 122.743 122.743 118.790 3.953 19673
2 1 1 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.241 0.271 19673
3 1 1 . 1 1 2 2 ARG C C 2 176.305 176.305 175.914 0.391 19673
4 1 1 . 1 1 2 2 ARG CA C 2 56.127 56.127 56.235 -0.108 19673
5 1 1 . 1 1 2 2 ARG CB C 2 30.716 30.716 30.915 -0.199 19673
6 1 1 . 1 1 2 2 ARG H H 2 8.481 8.481 8.121 0.360 19673
7 1 1 . 1 1 3 3 GLY N N 3 109.588 109.588 108.606 0.982 19673
8 1 1 . 1 1 3 3 GLY C C 3 174.092 174.092 174.874 -0.782 19673
9 1 1 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.381 -0.212 19673
10 1 1 . 1 1 3 3 GLY H H 3 8.576 8.576 8.615 -0.039 19673
11 1 1 . 1 1 4 4 THR N N 4 113.251 113.251 111.253 1.998 19673
12 1 1 . 1 1 4 4 THR HA H 4 4.544 4.544 4.005 0.539 19673
13 1 1 . 1 1 4 4 THR C C 4 174.864 174.864 173.723 1.141 19673
14 1 1 . 1 1 4 4 THR CA C 4 61.955 61.955 62.284 -0.329 19673
15 1 1 . 1 1 4 4 THR H H 4 8.155 8.155 8.415 -0.260 19673
16 1 1 . 1 1 5 5 THR N N 5 114.461 114.461 110.209 4.252 19673
17 1 1 . 1 1 5 5 THR HA H 5 4.454 4.454 3.964 0.490 19673
18 1 1 . 1 1 5 5 THR C C 5 174.181 174.181 174.827 -0.646 19673
19 1 1 . 1 1 5 5 THR CA C 5 62.062 62.062 63.061 -0.999 19673
20 1 1 . 1 1 5 5 THR CB C 5 69.306 69.306 67.353 1.953 19673
21 1 1 . 1 1 5 5 THR H H 5 8.243 8.243 7.396 0.847 19673
22 1 1 . 1 1 6 6 ASP N N 6 121.828 121.828 121.838 -0.010 19673
23 1 1 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.549 0.129 19673
24 1 1 . 1 1 6 6 ASP C C 6 175.797 175.797 176.066 -0.269 19673
25 1 1 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.957 -0.144 19673
26 1 1 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.987 -0.975 19673
27 1 1 . 1 1 6 6 ASP H H 6 8.325 8.325 8.004 0.321 19673
28 1 1 . 1 1 7 7 ASN N N 7 117.808 117.808 119.085 -1.277 19673
29 1 1 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.450 0.378 19673
30 1 1 . 1 1 7 7 ASN C C 7 174.864 174.864 174.182 0.682 19673
31 1 1 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.281 -1.154 19673
32 1 1 . 1 1 7 7 ASN CB C 7 38.696 38.696 36.721 1.975 19673
33 1 1 . 1 1 7 7 ASN H H 7 8.267 8.267 8.580 -0.313 19673
34 1 1 . 1 1 8 8 LEU N N 8 121.126 121.126 115.954 5.172 19673
35 1 1 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.864 0.466 19673
36 1 1 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.777 0.042 19673
37 1 1 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.462 0.942 19673
38 1 1 . 1 1 8 8 LEU H H 8 8.452 8.452 8.381 0.071 19673
39 1 1 . 1 1 9 9 ILE N N 9 119.437 119.437 119.480 -0.043 19673
40 1 1 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.150 0.036 19673
41 1 1 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.075 0.766 19673
42 1 1 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.313 -2.546 19673
43 1 1 . 1 1 9 9 ILE H H 9 8.250 8.250 7.694 0.556 19673
44 1 1 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.154 0.226 19673
45 1 1 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.904 -3.958 19673
46 1 1 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.039 1.552 19673
47 1 1 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.148 -0.312 19673
48 1 1 . 1 1 11 11 VAL CA C 11 65.990 65.990 62.568 3.422 19673
49 1 1 . 1 1 11 11 VAL CB C 11 31.136 31.136 29.583 1.553 19673
50 1 1 . 1 1 12 12 TYR N N 12 117.971 117.971 120.758 -2.787 19673
51 1 1 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.259 0.171 19673
52 1 1 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.648 -1.875 19673
53 1 1 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.890 -1.855 19673
54 1 1 . 1 1 12 12 TYR H H 12 8.341 8.341 8.536 -0.195 19673
55 1 1 . 1 1 13 13 CYS N N 13 115.494 115.494 118.605 -3.111 19673
56 1 1 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.157 0.204 19673
57 1 1 . 1 1 13 13 CYS C C 13 175.298 175.298 177.154 -1.856 19673
58 1 1 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.961 -3.876 19673
59 1 1 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.703 14.826 19673
60 1 1 . 1 1 13 13 CYS H H 13 8.681 8.681 8.136 0.545 19673
61 1 1 . 1 1 14 14 SER N N 14 116.691 116.691 113.443 3.248 19673
62 1 1 . 1 1 14 14 SER HA H 14 4.200 4.200 4.221 -0.021 19673
63 1 1 . 1 1 14 14 SER C C 14 174.951 174.951 177.014 -2.063 19673
64 1 1 . 1 1 14 14 SER CA C 14 62.671 62.671 61.229 1.442 19673
65 1 1 . 1 1 14 14 SER CB C 14 62.565 62.565 60.976 1.589 19673
66 1 1 . 1 1 14 14 SER H H 14 7.923 7.923 8.856 -0.933 19673
67 1 1 . 1 1 15 15 ILE N N 15 120.993 120.993 121.684 -0.691 19673
68 1 1 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.973 -0.208 19673
69 1 1 . 1 1 15 15 ILE C C 15 176.935 176.935 177.786 -0.851 19673
70 1 1 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.168 -0.052 19673
71 1 1 . 1 1 15 15 ILE CB C 15 37.362 37.362 38.108 -0.746 19673
72 1 1 . 1 1 15 15 ILE H H 15 7.930 7.930 7.480 0.450 19673
73 1 1 . 1 1 16 16 LEU N N 16 118.319 118.319 123.137 -4.818 19673
74 1 1 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.870 0.192 19673
75 1 1 . 1 1 16 16 LEU C C 16 177.684 177.684 178.144 -0.460 19673
76 1 1 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.551 -0.599 19673
77 1 1 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.032 -0.480 19673
78 1 1 . 1 1 16 16 LEU H H 16 8.037 8.037 8.065 -0.028 19673
79 1 1 . 1 1 17 17 ALA N N 17 118.970 118.970 122.586 -3.616 19673
80 1 1 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.892 0.123 19673
81 1 1 . 1 1 17 17 ALA C C 17 177.814 177.814 178.703 -0.889 19673
82 1 1 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.719 -0.420 19673
83 1 1 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.741 -1.115 19673
84 1 1 . 1 1 17 17 ALA H H 17 8.260 8.260 8.209 0.051 19673
85 1 1 . 1 1 18 18 ALA N N 18 118.854 118.854 121.201 -2.347 19673
86 1 1 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.826 0.168 19673
87 1 1 . 1 1 18 18 ALA C C 18 178.578 178.578 178.909 -0.331 19673
88 1 1 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.061 0.238 19673
89 1 1 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.914 -0.252 19673
90 1 1 . 1 1 18 18 ALA H H 18 8.027 8.027 7.746 0.281 19673
91 1 1 . 1 1 19 19 VAL N N 19 116.253 116.253 118.469 -2.216 19673
92 1 1 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.798 -0.152 19673
93 1 1 . 1 1 19 19 VAL C C 19 176.935 176.935 178.075 -1.140 19673
94 1 1 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.372 1.132 19673
95 1 1 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.976 0.043 19673
96 1 1 . 1 1 19 19 VAL H H 19 8.259 8.259 7.749 0.510 19673
97 1 1 . 1 1 20 20 VAL N N 20 118.427 118.427 118.579 -0.152 19673
98 1 1 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.509 0.130 19673
99 1 1 . 1 1 20 20 VAL C C 20 177.044 177.044 178.340 -1.296 19673
100 1 1 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.267 1.235 19673
101 1 1 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.515 -0.614 19673
102 1 1 . 1 1 20 20 VAL H H 20 8.206 8.206 7.645 0.561 19673
103 1 1 . 1 1 21 21 VAL N N 21 118.319 118.319 120.291 -1.972 19673
104 1 1 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.623 -0.047 19673
105 1 1 . 1 1 21 21 VAL C C 21 177.239 177.239 177.844 -0.605 19673
106 1 1 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.929 0.178 19673
107 1 1 . 1 1 21 21 VAL CB C 21 30.698 30.698 31.020 -0.322 19673
108 1 1 . 1 1 21 21 VAL H H 21 8.511 8.511 8.171 0.340 19673
109 1 1 . 1 1 22 22 GLY N N 22 106.678 106.678 108.578 -1.900 19673
110 1 1 . 1 1 22 22 GLY C C 22 174.192 174.192 177.292 -3.100 19673
111 1 1 . 1 1 22 22 GLY CA C 22 47.329 47.329 48.849 -1.520 19673
112 1 1 . 1 1 22 22 GLY H H 22 8.665 8.665 8.485 0.180 19673
113 1 1 . 1 1 23 23 LEU N N 23 121.389 121.389 119.400 1.989 19673
114 1 1 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.999 0.288 19673
115 1 1 . 1 1 23 23 LEU C C 23 178.486 178.486 178.050 0.436 19673
116 1 1 . 1 1 23 23 LEU CA C 23 58.118 58.118 57.046 1.072 19673
117 1 1 . 1 1 23 23 LEU H H 23 8.604 8.604 8.018 0.586 19673
118 1 1 . 1 1 24 24 VAL N N 24 118.366 118.366 122.045 -3.679 19673
119 1 1 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.827 -0.175 19673
120 1 1 . 1 1 24 24 VAL C C 24 177.109 177.109 177.958 -0.849 19673
121 1 1 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.080 1.911 19673
122 1 1 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.707 -0.915 19673
123 1 1 . 1 1 24 24 VAL H H 24 8.514 8.514 7.925 0.589 19673
124 1 1 . 1 1 25 25 ALA N N 25 121.150 121.150 120.863 0.287 19673
125 1 1 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.706 0.377 19673
126 1 1 . 1 1 25 25 ALA C C 25 178.345 178.345 179.528 -1.183 19673
127 1 1 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.332 -1.078 19673
128 1 1 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.321 -0.593 19673
129 1 1 . 1 1 25 25 ALA H H 25 8.864 8.864 8.093 0.771 19673
130 1 1 . 1 1 26 26 TYR N N 26 118.180 118.180 120.425 -2.245 19673
131 1 1 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.437 -0.147 19673
132 1 1 . 1 1 26 26 TYR C C 26 176.867 176.867 177.840 -0.973 19673
133 1 1 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.248 0.730 19673
134 1 1 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.639 0.887 19673
135 1 1 . 1 1 26 26 TYR H H 26 8.686 8.686 8.088 0.598 19673
136 1 1 . 1 1 27 27 ILE N N 27 118.426 118.426 120.599 -2.173 19673
137 1 1 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.954 -0.359 19673
138 1 1 . 1 1 27 27 ILE C C 27 177.922 177.922 178.002 -0.080 19673
139 1 1 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.697 0.043 19673
140 1 1 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.260 -0.885 19673
141 1 1 . 1 1 27 27 ILE H H 27 8.537 8.537 8.331 0.206 19673
142 1 1 . 1 1 28 28 ALA N N 28 121.944 121.944 120.910 1.034 19673
143 1 1 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.751 0.262 19673
144 1 1 . 1 1 28 28 ALA C C 28 178.779 178.779 178.885 -0.106 19673
145 1 1 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.045 0.254 19673
146 1 1 . 1 1 28 28 ALA CB C 28 17.974 17.974 19.001 -1.027 19673
147 1 1 . 1 1 28 28 ALA H H 28 8.920 8.920 7.991 0.929 19673
148 1 1 . 1 1 29 29 PHE N N 29 117.662 117.662 121.026 -3.364 19673
149 1 1 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.129 0.218 19673
150 1 1 . 1 1 29 29 PHE C C 29 177.543 177.543 177.717 -0.174 19673
151 1 1 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.199 0.007 19673
152 1 1 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.299 0.767 19673
153 1 1 . 1 1 29 29 PHE H H 29 8.868 8.868 8.560 0.308 19673
154 1 1 . 1 1 30 30 LYS N N 30 118.519 118.519 119.482 -0.963 19673
155 1 1 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.262 -0.268 19673
156 1 1 . 1 1 30 30 LYS C C 30 179.148 179.148 177.548 1.600 19673
157 1 1 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.153 -0.322 19673
158 1 1 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.893 -1.774 19673
159 1 1 . 1 1 30 30 LYS H H 30 8.437 8.437 8.486 -0.049 19673
160 1 1 . 1 1 31 31 ARG N N 31 118.783 118.783 119.394 -0.611 19673
161 1 1 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.748 0.517 19673
162 1 1 . 1 1 31 31 ARG C C 31 178.041 178.041 178.216 -0.175 19673
163 1 1 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.313 -0.690 19673
164 1 1 . 1 1 31 31 ARG CB C 31 29.828 29.828 30.123 -0.296 19673
165 1 1 . 1 1 31 31 ARG H H 31 8.311 8.311 7.389 0.922 19673
166 1 1 . 1 1 32 32 TRP N N 32 121.389 121.389 120.262 1.127 19673
167 1 1 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.295 0.220 19673
168 1 1 . 1 1 32 32 TRP C C 32 176.935 176.935 179.382 -2.447 19673
169 1 1 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.008 -0.581 19673
170 1 1 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.033 -0.130 19673
171 1 1 . 1 1 32 32 TRP H H 32 8.579 8.579 7.930 0.649 19673
172 1 1 . 1 1 33 33 ASN N N 33 117.319 117.319 115.836 1.483 19673
173 1 1 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.794 -0.276 19673
174 1 1 . 1 1 33 33 ASN C C 33 175.770 175.770 176.128 -0.358 19673
175 1 1 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.305 -0.186 19673
176 1 1 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.426 0.561 19673
177 1 1 . 1 1 33 33 ASN H H 33 8.313 8.313 8.112 0.201 19673
178 1 1 . 1 1 34 34 SER N N 34 114.896 114.896 113.188 1.708 19673
179 1 1 . 1 1 34 34 SER HA H 34 4.481 4.481 4.101 0.380 19673
180 1 1 . 1 1 34 34 SER C C 34 174.852 174.852 174.922 -0.070 19673
181 1 1 . 1 1 34 34 SER CA C 34 59.319 59.319 60.429 -1.110 19673
182 1 1 . 1 1 34 34 SER CB C 34 63.433 63.433 63.182 0.251 19673
183 1 1 . 1 1 34 34 SER H H 34 7.952 7.952 7.387 0.565 19673
184 1 1 . 1 1 35 35 SER N N 35 117.172 117.172 109.915 7.257 19673
185 1 1 . 1 1 35 35 SER HA H 35 4.518 4.518 4.361 0.157 19673
186 1 1 . 1 1 35 35 SER C C 35 174.485 174.485 173.108 1.377 19673
187 1 1 . 1 1 35 35 SER CA C 35 58.833 58.833 58.294 0.539 19673
188 1 1 . 1 1 35 35 SER CB C 35 63.445 63.445 63.815 -0.370 19673
189 1 1 . 1 1 35 35 SER H H 35 8.094 8.094 7.616 0.478 19673
190 1 1 . 1 1 36 36 LYS N N 36 122.146 122.146 123.706 -1.560 19673
191 1 1 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.092 0.282 19673
192 1 1 . 1 1 36 36 LYS C C 36 176.339 176.339 176.267 0.072 19673
193 1 1 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.251 -1.054 19673
194 1 1 . 1 1 36 36 LYS CB C 36 32.357 32.357 33.470 -1.113 19673
195 1 1 . 1 1 36 36 LYS H H 36 8.011 8.011 8.092 -0.081 19673
196 1 1 . 1 1 37 37 GLN N N 37 120.055 120.055 121.689 -1.634 19673
197 1 1 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.377 0.041 19673
198 1 1 . 1 1 37 37 GLN C C 37 175.424 175.424 177.220 -1.796 19673
199 1 1 . 1 1 37 37 GLN CA C 37 55.646 55.646 55.580 0.066 19673
200 1 1 . 1 1 37 37 GLN CB C 37 29.129 29.129 29.685 -0.556 19673
201 1 1 . 1 1 37 37 GLN H H 37 8.177 8.177 8.353 -0.176 19673
202 1 1 . 1 1 38 38 ASN N N 38 119.734 119.734 118.535 1.199 19673
203 1 1 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.552 0.256 19673
204 1 1 . 1 1 38 38 ASN C C 38 174.550 174.550 176.133 -1.583 19673
205 1 1 . 1 1 38 38 ASN CA C 38 53.040 53.040 54.984 -1.944 19673
206 1 1 . 1 1 38 38 ASN H H 38 8.379 8.379 8.771 -0.392 19673
207 1 1 . 1 1 39 39 LYS N N 39 121.900 121.900 121.134 0.766 19673
208 1 1 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.012 0.438 19673
209 1 1 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.624 -0.493 19673
210 1 1 . 1 1 39 39 LYS CB C 39 32.775 32.775 31.824 0.951 19673
211 1 1 . 1 1 39 39 LYS H H 39 8.220 8.220 8.201 0.019 19673
212 1 1 . 1 1 40 40 GLN N N 40 126.738 126.738 119.576 7.162 19673
213 1 1 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.037 0.250 19673
214 1 1 . 1 1 40 40 GLN CA C 40 57.168 57.168 56.154 1.014 19673
215 1 1 . 1 1 40 40 GLN CB C 40 30.260 30.260 28.028 2.232 19673
216 1 1 . 1 1 40 40 GLN H H 40 8.004 8.004 8.308 -0.304 19673
217 1 2 . 1 1 2 2 ARG N N 2 122.743 122.743 120.209 2.534 19673
218 1 2 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.767 -0.255 19673
219 1 2 . 1 1 2 2 ARG C C 2 176.305 176.305 176.491 -0.186 19673
220 1 2 . 1 1 2 2 ARG CA C 2 56.127 56.127 54.983 1.144 19673
221 1 2 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.722 -1.006 19673
222 1 2 . 1 1 2 2 ARG H H 2 8.481 8.481 7.938 0.543 19673
223 1 2 . 1 1 3 3 GLY N N 3 109.588 109.588 109.008 0.580 19673
224 1 2 . 1 1 3 3 GLY C C 3 174.092 174.092 175.897 -1.805 19673
225 1 2 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.765 -0.596 19673
226 1 2 . 1 1 3 3 GLY H H 3 8.576 8.576 8.499 0.077 19673
227 1 2 . 1 1 4 4 THR N N 4 113.251 113.251 112.676 0.575 19673
228 1 2 . 1 1 4 4 THR HA H 4 4.544 4.544 4.178 0.366 19673
229 1 2 . 1 1 4 4 THR C C 4 174.864 174.864 174.571 0.293 19673
230 1 2 . 1 1 4 4 THR CA C 4 61.955 61.955 62.617 -0.662 19673
231 1 2 . 1 1 4 4 THR H H 4 8.155 8.155 8.246 -0.091 19673
232 1 2 . 1 1 5 5 THR N N 5 114.461 114.461 111.486 2.975 19673
233 1 2 . 1 1 5 5 THR HA H 5 4.454 4.454 4.070 0.384 19673
234 1 2 . 1 1 5 5 THR C C 5 174.181 174.181 175.152 -0.971 19673
235 1 2 . 1 1 5 5 THR CA C 5 62.062 62.062 63.616 -1.554 19673
236 1 2 . 1 1 5 5 THR CB C 5 69.306 69.306 68.911 0.395 19673
237 1 2 . 1 1 5 5 THR H H 5 8.243 8.243 8.104 0.139 19673
238 1 2 . 1 1 6 6 ASP N N 6 121.828 121.828 121.433 0.395 19673
239 1 2 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.616 0.062 19673
240 1 2 . 1 1 6 6 ASP C C 6 175.797 175.797 175.050 0.747 19673
241 1 2 . 1 1 6 6 ASP CA C 6 54.813 54.813 53.888 0.925 19673
242 1 2 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.518 -0.506 19673
243 1 2 . 1 1 6 6 ASP H H 6 8.325 8.325 7.682 0.643 19673
244 1 2 . 1 1 7 7 ASN N N 7 117.808 117.808 121.504 -3.696 19673
245 1 2 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.722 0.106 19673
246 1 2 . 1 1 7 7 ASN C C 7 174.864 174.864 175.715 -0.851 19673
247 1 2 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.348 -1.221 19673
248 1 2 . 1 1 7 7 ASN CB C 7 38.696 38.696 39.651 -0.955 19673
249 1 2 . 1 1 7 7 ASN H H 7 8.267 8.267 8.649 -0.382 19673
250 1 2 . 1 1 8 8 LEU N N 8 121.126 121.126 120.402 0.724 19673
251 1 2 . 1 1 8 8 LEU HA H 8 4.330 4.330 4.428 -0.098 19673
252 1 2 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.382 0.437 19673
253 1 2 . 1 1 8 8 LEU CB C 8 42.404 42.404 42.180 0.224 19673
254 1 2 . 1 1 8 8 LEU H H 8 8.452 8.452 8.282 0.170 19673
255 1 2 . 1 1 9 9 ILE N N 9 119.437 119.437 118.706 0.731 19673
256 1 2 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.389 -0.203 19673
257 1 2 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.338 0.503 19673
258 1 2 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.895 -3.128 19673
259 1 2 . 1 1 9 9 ILE H H 9 8.250 8.250 7.700 0.550 19673
260 1 2 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.107 0.273 19673
261 1 2 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.870 -3.924 19673
262 1 2 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.462 2.129 19673
263 1 2 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.999 -0.163 19673
264 1 2 . 1 1 11 11 VAL CA C 11 65.990 65.990 65.336 0.654 19673
265 1 2 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.304 -0.168 19673
266 1 2 . 1 1 12 12 TYR N N 12 117.971 117.971 118.587 -0.616 19673
267 1 2 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.157 0.273 19673
268 1 2 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.897 -2.123 19673
269 1 2 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.318 -1.283 19673
270 1 2 . 1 1 12 12 TYR H H 12 8.341 8.341 8.347 -0.006 19673
271 1 2 . 1 1 13 13 CYS N N 13 115.494 115.494 117.937 -2.443 19673
272 1 2 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.140 0.221 19673
273 1 2 . 1 1 13 13 CYS C C 13 175.298 175.298 176.906 -1.608 19673
274 1 2 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.695 -3.610 19673
275 1 2 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.779 14.750 19673
276 1 2 . 1 1 13 13 CYS H H 13 8.681 8.681 7.639 1.042 19673
277 1 2 . 1 1 14 14 SER N N 14 116.691 116.691 114.840 1.851 19673
278 1 2 . 1 1 14 14 SER HA H 14 4.200 4.200 4.207 -0.007 19673
279 1 2 . 1 1 14 14 SER C C 14 174.951 174.951 177.062 -2.111 19673
280 1 2 . 1 1 14 14 SER CA C 14 62.671 62.671 61.039 1.632 19673
281 1 2 . 1 1 14 14 SER CB C 14 62.565 62.565 61.047 1.518 19673
282 1 2 . 1 1 14 14 SER H H 14 7.923 7.923 8.218 -0.295 19673
283 1 2 . 1 1 15 15 ILE N N 15 120.993 120.993 121.494 -0.501 19673
284 1 2 . 1 1 15 15 ILE HA H 15 3.765 3.765 4.002 -0.237 19673
285 1 2 . 1 1 15 15 ILE C C 15 176.935 176.935 178.248 -1.313 19673
286 1 2 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.467 -0.351 19673
287 1 2 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.850 -0.488 19673
288 1 2 . 1 1 15 15 ILE H H 15 7.930 7.930 7.657 0.273 19673
289 1 2 . 1 1 16 16 LEU N N 16 118.319 118.319 122.937 -4.618 19673
290 1 2 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.887 0.175 19673
291 1 2 . 1 1 16 16 LEU C C 16 177.684 177.684 178.402 -0.718 19673
292 1 2 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.540 -0.588 19673
293 1 2 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.039 -0.487 19673
294 1 2 . 1 1 16 16 LEU H H 16 8.037 8.037 8.424 -0.387 19673
295 1 2 . 1 1 17 17 ALA N N 17 118.970 118.970 122.607 -3.637 19673
296 1 2 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.863 0.152 19673
297 1 2 . 1 1 17 17 ALA C C 17 177.814 177.814 178.752 -0.938 19673
298 1 2 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.735 -0.436 19673
299 1 2 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.703 -1.077 19673
300 1 2 . 1 1 17 17 ALA H H 17 8.260 8.260 8.211 0.049 19673
301 1 2 . 1 1 18 18 ALA N N 18 118.854 118.854 121.259 -2.405 19673
302 1 2 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.803 0.191 19673
303 1 2 . 1 1 18 18 ALA C C 18 178.578 178.578 178.878 -0.300 19673
304 1 2 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.188 0.111 19673
305 1 2 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.951 -0.289 19673
306 1 2 . 1 1 18 18 ALA H H 18 8.027 8.027 7.739 0.288 19673
307 1 2 . 1 1 19 19 VAL N N 19 116.253 116.253 118.192 -1.939 19673
308 1 2 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.744 -0.098 19673
309 1 2 . 1 1 19 19 VAL C C 19 176.935 176.935 178.079 -1.144 19673
310 1 2 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.426 1.078 19673
311 1 2 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.940 0.079 19673
312 1 2 . 1 1 19 19 VAL H H 19 8.259 8.259 7.758 0.501 19673
313 1 2 . 1 1 20 20 VAL N N 20 118.427 118.427 118.702 -0.275 19673
314 1 2 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.470 0.169 19673
315 1 2 . 1 1 20 20 VAL C C 20 177.044 177.044 178.155 -1.111 19673
316 1 2 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.726 0.776 19673
317 1 2 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.635 -0.734 19673
318 1 2 . 1 1 20 20 VAL H H 20 8.206 8.206 7.617 0.589 19673
319 1 2 . 1 1 21 21 VAL N N 21 118.319 118.319 119.639 -1.320 19673
320 1 2 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.526 0.050 19673
321 1 2 . 1 1 21 21 VAL C C 21 177.239 177.239 177.918 -0.679 19673
322 1 2 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.684 0.423 19673
323 1 2 . 1 1 21 21 VAL CB C 21 30.698 30.698 31.417 -0.719 19673
324 1 2 . 1 1 21 21 VAL H H 21 8.511 8.511 7.779 0.732 19673
325 1 2 . 1 1 22 22 GLY N N 22 106.678 106.678 108.665 -1.987 19673
326 1 2 . 1 1 22 22 GLY C C 22 174.192 174.192 177.108 -2.916 19673
327 1 2 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.991 -2.662 19673
328 1 2 . 1 1 22 22 GLY H H 22 8.665 8.665 8.642 0.023 19673
329 1 2 . 1 1 23 23 LEU N N 23 121.389 121.389 119.186 2.203 19673
330 1 2 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.983 0.304 19673
331 1 2 . 1 1 23 23 LEU C C 23 178.486 178.486 178.131 0.355 19673
332 1 2 . 1 1 23 23 LEU CA C 23 58.118 58.118 57.006 1.112 19673
333 1 2 . 1 1 23 23 LEU H H 23 8.604 8.604 8.010 0.594 19673
334 1 2 . 1 1 24 24 VAL N N 24 118.366 118.366 121.809 -3.443 19673
335 1 2 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.802 -0.150 19673
336 1 2 . 1 1 24 24 VAL C C 24 177.109 177.109 177.989 -0.880 19673
337 1 2 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.538 1.453 19673
338 1 2 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.962 -1.170 19673
339 1 2 . 1 1 24 24 VAL H H 24 8.514 8.514 7.778 0.736 19673
340 1 2 . 1 1 25 25 ALA N N 25 121.150 121.150 120.940 0.210 19673
341 1 2 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.748 0.335 19673
342 1 2 . 1 1 25 25 ALA C C 25 178.345 178.345 179.428 -1.083 19673
343 1 2 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.342 -1.088 19673
344 1 2 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.621 -0.893 19673
345 1 2 . 1 1 25 25 ALA H H 25 8.864 8.864 7.959 0.905 19673
346 1 2 . 1 1 26 26 TYR N N 26 118.180 118.180 119.783 -1.603 19673
347 1 2 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.458 -0.168 19673
348 1 2 . 1 1 26 26 TYR C C 26 176.867 176.867 177.922 -1.055 19673
349 1 2 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.989 0.990 19673
350 1 2 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.749 0.777 19673
351 1 2 . 1 1 26 26 TYR H H 26 8.686 8.686 8.061 0.625 19673
352 1 2 . 1 1 27 27 ILE N N 27 118.426 118.426 121.015 -2.589 19673
353 1 2 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.978 -0.383 19673
354 1 2 . 1 1 27 27 ILE C C 27 177.922 177.922 177.921 0.001 19673
355 1 2 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.004 0.735 19673
356 1 2 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.319 -0.944 19673
357 1 2 . 1 1 27 27 ILE H H 27 8.537 8.537 8.017 0.520 19673
358 1 2 . 1 1 28 28 ALA N N 28 121.944 121.944 121.533 0.411 19673
359 1 2 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.482 0.531 19673
360 1 2 . 1 1 28 28 ALA C C 28 178.779 178.779 178.999 -0.220 19673
361 1 2 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.644 -0.345 19673
362 1 2 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.736 -0.762 19673
363 1 2 . 1 1 28 28 ALA H H 28 8.920 8.920 8.015 0.905 19673
364 1 2 . 1 1 29 29 PHE N N 29 117.662 117.662 120.300 -2.638 19673
365 1 2 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.106 0.241 19673
366 1 2 . 1 1 29 29 PHE C C 29 177.543 177.543 177.514 0.029 19673
367 1 2 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.238 -0.032 19673
368 1 2 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.113 0.953 19673
369 1 2 . 1 1 29 29 PHE H H 29 8.868 8.868 8.304 0.564 19673
370 1 2 . 1 1 30 30 LYS N N 30 118.519 118.519 119.177 -0.658 19673
371 1 2 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.266 -0.272 19673
372 1 2 . 1 1 30 30 LYS C C 30 179.148 179.148 177.929 1.219 19673
373 1 2 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.605 -0.774 19673
374 1 2 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.668 -1.549 19673
375 1 2 . 1 1 30 30 LYS H H 30 8.437 8.437 7.898 0.539 19673
376 1 2 . 1 1 31 31 ARG N N 31 118.783 118.783 118.520 0.263 19673
377 1 2 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.766 0.499 19673
378 1 2 . 1 1 31 31 ARG C C 31 178.041 178.041 178.392 -0.351 19673
379 1 2 . 1 1 31 31 ARG CA C 31 57.623 57.623 57.965 -0.342 19673
380 1 2 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.933 -0.105 19673
381 1 2 . 1 1 31 31 ARG H H 31 8.311 8.311 7.347 0.964 19673
382 1 2 . 1 1 32 32 TRP N N 32 121.389 121.389 120.732 0.657 19673
383 1 2 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.249 0.266 19673
384 1 2 . 1 1 32 32 TRP C C 32 176.935 176.935 178.445 -1.510 19673
385 1 2 . 1 1 32 32 TRP CA C 32 59.427 59.427 59.571 -0.144 19673
386 1 2 . 1 1 32 32 TRP CB C 32 28.903 28.903 28.547 0.356 19673
387 1 2 . 1 1 32 32 TRP H H 32 8.579 8.579 7.745 0.834 19673
388 1 2 . 1 1 33 33 ASN N N 33 117.319 117.319 113.837 3.482 19673
389 1 2 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.677 -0.159 19673
390 1 2 . 1 1 33 33 ASN C C 33 175.770 175.770 176.694 -0.924 19673
391 1 2 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.744 0.375 19673
392 1 2 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.317 0.670 19673
393 1 2 . 1 1 33 33 ASN H H 33 8.313 8.313 7.893 0.420 19673
394 1 2 . 1 1 34 34 SER N N 34 114.896 114.896 113.703 1.193 19673
395 1 2 . 1 1 34 34 SER HA H 34 4.481 4.481 4.289 0.192 19673
396 1 2 . 1 1 34 34 SER C C 34 174.852 174.852 175.315 -0.463 19673
397 1 2 . 1 1 34 34 SER CA C 34 59.319 59.319 60.937 -1.618 19673
398 1 2 . 1 1 34 34 SER CB C 34 63.433 63.433 63.671 -0.238 19673
399 1 2 . 1 1 34 34 SER H H 34 7.952 7.952 7.700 0.252 19673
400 1 2 . 1 1 35 35 SER N N 35 117.172 117.172 112.908 4.264 19673
401 1 2 . 1 1 35 35 SER HA H 35 4.518 4.518 4.554 -0.036 19673
402 1 2 . 1 1 35 35 SER C C 35 174.485 174.485 174.143 0.342 19673
403 1 2 . 1 1 35 35 SER CA C 35 58.833 58.833 59.126 -0.293 19673
404 1 2 . 1 1 35 35 SER CB C 35 63.445 63.445 63.806 -0.361 19673
405 1 2 . 1 1 35 35 SER H H 35 8.094 8.094 7.580 0.514 19673
406 1 2 . 1 1 36 36 LYS N N 36 122.146 122.146 121.740 0.406 19673
407 1 2 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.318 0.056 19673
408 1 2 . 1 1 36 36 LYS C C 36 176.339 176.339 175.766 0.573 19673
409 1 2 . 1 1 36 36 LYS CA C 36 56.197 56.197 55.617 0.580 19673
410 1 2 . 1 1 36 36 LYS CB C 36 32.357 32.357 31.709 0.648 19673
411 1 2 . 1 1 36 36 LYS H H 36 8.011 8.011 7.340 0.671 19673
412 1 2 . 1 1 37 37 GLN N N 37 120.055 120.055 118.085 1.970 19673
413 1 2 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.032 0.386 19673
414 1 2 . 1 1 37 37 GLN C C 37 175.424 175.424 174.803 0.621 19673
415 1 2 . 1 1 37 37 GLN CA C 37 55.646 55.646 57.024 -1.378 19673
416 1 2 . 1 1 37 37 GLN CB C 37 29.129 29.129 27.909 1.220 19673
417 1 2 . 1 1 37 37 GLN H H 37 8.177 8.177 7.449 0.728 19673
418 1 2 . 1 1 38 38 ASN N N 38 119.734 119.734 119.317 0.417 19673
419 1 2 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.823 -0.015 19673
420 1 2 . 1 1 38 38 ASN C C 38 174.550 174.550 174.400 0.150 19673
421 1 2 . 1 1 38 38 ASN CA C 38 53.040 53.040 52.775 0.265 19673
422 1 2 . 1 1 38 38 ASN H H 38 8.379 8.379 8.492 -0.113 19673
423 1 2 . 1 1 39 39 LYS N N 39 121.900 121.900 125.997 -4.097 19673
424 1 2 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.382 0.068 19673
425 1 2 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.147 -0.016 19673
426 1 2 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.358 -0.583 19673
427 1 2 . 1 1 39 39 LYS H H 39 8.220 8.220 8.489 -0.269 19673
428 1 2 . 1 1 40 40 GLN N N 40 126.738 126.738 123.584 3.154 19673
429 1 2 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.167 0.120 19673
430 1 2 . 1 1 40 40 GLN CA C 40 57.168 57.168 56.525 0.643 19673
431 1 2 . 1 1 40 40 GLN CB C 40 30.260 30.260 28.675 1.585 19673
432 1 2 . 1 1 40 40 GLN H H 40 8.004 8.004 8.589 -0.585 19673
433 1 3 . 1 1 2 2 ARG N N 2 122.743 122.743 121.773 0.970 19673
434 1 3 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.287 0.225 19673
435 1 3 . 1 1 2 2 ARG C C 2 176.305 176.305 176.397 -0.092 19673
436 1 3 . 1 1 2 2 ARG CA C 2 56.127 56.127 56.692 -0.565 19673
437 1 3 . 1 1 2 2 ARG CB C 2 30.716 30.716 30.229 0.487 19673
438 1 3 . 1 1 2 2 ARG H H 2 8.481 8.481 8.393 0.088 19673
439 1 3 . 1 1 3 3 GLY N N 3 109.588 109.588 116.150 -6.562 19673
440 1 3 . 1 1 3 3 GLY C C 3 174.092 174.092 174.936 -0.844 19673
441 1 3 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.000 0.169 19673
442 1 3 . 1 1 3 3 GLY H H 3 8.576 8.576 8.490 0.086 19673
443 1 3 . 1 1 4 4 THR N N 4 113.251 113.251 113.899 -0.648 19673
444 1 3 . 1 1 4 4 THR HA H 4 4.544 4.544 4.178 0.366 19673
445 1 3 . 1 1 4 4 THR C C 4 174.864 174.864 174.180 0.684 19673
446 1 3 . 1 1 4 4 THR CA C 4 61.955 61.955 62.095 -0.140 19673
447 1 3 . 1 1 4 4 THR H H 4 8.155 8.155 8.461 -0.306 19673
448 1 3 . 1 1 5 5 THR N N 5 114.461 114.461 112.789 1.672 19673
449 1 3 . 1 1 5 5 THR HA H 5 4.454 4.454 3.934 0.520 19673
450 1 3 . 1 1 5 5 THR C C 5 174.181 174.181 174.295 -0.114 19673
451 1 3 . 1 1 5 5 THR CA C 5 62.062 62.062 62.610 -0.548 19673
452 1 3 . 1 1 5 5 THR CB C 5 69.306 69.306 67.753 1.553 19673
453 1 3 . 1 1 5 5 THR H H 5 8.243 8.243 7.802 0.441 19673
454 1 3 . 1 1 6 6 ASP N N 6 121.828 121.828 116.960 4.868 19673
455 1 3 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.718 -0.040 19673
456 1 3 . 1 1 6 6 ASP C C 6 175.797 175.797 175.842 -0.045 19673
457 1 3 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.818 -0.005 19673
458 1 3 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.977 -0.966 19673
459 1 3 . 1 1 6 6 ASP H H 6 8.325 8.325 8.026 0.299 19673
460 1 3 . 1 1 7 7 ASN N N 7 117.808 117.808 119.700 -1.892 19673
461 1 3 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.416 0.412 19673
462 1 3 . 1 1 7 7 ASN C C 7 174.864 174.864 173.860 1.004 19673
463 1 3 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.825 -1.698 19673
464 1 3 . 1 1 7 7 ASN CB C 7 38.696 38.696 37.401 1.295 19673
465 1 3 . 1 1 7 7 ASN H H 7 8.267 8.267 8.565 -0.298 19673
466 1 3 . 1 1 8 8 LEU N N 8 121.126 121.126 116.570 4.556 19673
467 1 3 . 1 1 8 8 LEU HA H 8 4.330 4.330 4.352 -0.022 19673
468 1 3 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.538 0.281 19673
469 1 3 . 1 1 8 8 LEU CB C 8 42.404 42.404 43.412 -1.008 19673
470 1 3 . 1 1 8 8 LEU H H 8 8.452 8.452 7.901 0.551 19673
471 1 3 . 1 1 9 9 ILE N N 9 119.437 119.437 118.037 1.400 19673
472 1 3 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.364 -0.178 19673
473 1 3 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.771 0.070 19673
474 1 3 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.995 -3.228 19673
475 1 3 . 1 1 9 9 ILE H H 9 8.250 8.250 7.764 0.486 19673
476 1 3 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.263 0.117 19673
477 1 3 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.302 -3.357 19673
478 1 3 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.616 0.975 19673
479 1 3 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.058 -0.222 19673
480 1 3 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.383 1.607 19673
481 1 3 . 1 1 11 11 VAL CB C 11 31.136 31.136 30.971 0.164 19673
482 1 3 . 1 1 12 12 TYR N N 12 117.971 117.971 120.290 -2.319 19673
483 1 3 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.115 0.315 19673
484 1 3 . 1 1 12 12 TYR CA C 12 59.774 59.774 62.060 -2.286 19673
485 1 3 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.400 -1.365 19673
486 1 3 . 1 1 12 12 TYR H H 12 8.341 8.341 7.978 0.363 19673
487 1 3 . 1 1 13 13 CYS N N 13 115.494 115.494 118.197 -2.703 19673
488 1 3 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.116 0.245 19673
489 1 3 . 1 1 13 13 CYS C C 13 175.298 175.298 177.038 -1.740 19673
490 1 3 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.852 -3.767 19673
491 1 3 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.503 15.025 19673
492 1 3 . 1 1 13 13 CYS H H 13 8.681 8.681 7.761 0.920 19673
493 1 3 . 1 1 14 14 SER N N 14 116.691 116.691 115.298 1.393 19673
494 1 3 . 1 1 14 14 SER HA H 14 4.200 4.200 4.135 0.065 19673
495 1 3 . 1 1 14 14 SER C C 14 174.951 174.951 176.950 -1.999 19673
496 1 3 . 1 1 14 14 SER CA C 14 62.671 62.671 61.292 1.379 19673
497 1 3 . 1 1 14 14 SER CB C 14 62.565 62.565 61.072 1.493 19673
498 1 3 . 1 1 14 14 SER H H 14 7.923 7.923 8.214 -0.291 19673
499 1 3 . 1 1 15 15 ILE N N 15 120.993 120.993 121.864 -0.871 19673
500 1 3 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.916 -0.151 19673
501 1 3 . 1 1 15 15 ILE C C 15 176.935 176.935 178.001 -1.066 19673
502 1 3 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.126 -0.011 19673
503 1 3 . 1 1 15 15 ILE CB C 15 37.362 37.362 38.089 -0.727 19673
504 1 3 . 1 1 15 15 ILE H H 15 7.930 7.930 7.602 0.328 19673
505 1 3 . 1 1 16 16 LEU N N 16 118.319 118.319 123.103 -4.784 19673
506 1 3 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.879 0.183 19673
507 1 3 . 1 1 16 16 LEU C C 16 177.684 177.684 178.276 -0.592 19673
508 1 3 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.596 -0.644 19673
509 1 3 . 1 1 16 16 LEU CB C 16 41.552 41.552 41.997 -0.445 19673
510 1 3 . 1 1 16 16 LEU H H 16 8.037 8.037 8.464 -0.427 19673
511 1 3 . 1 1 17 17 ALA N N 17 118.970 118.970 122.613 -3.643 19673
512 1 3 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.865 0.150 19673
513 1 3 . 1 1 17 17 ALA C C 17 177.814 177.814 178.725 -0.911 19673
514 1 3 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.749 -0.450 19673
515 1 3 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.704 -1.078 19673
516 1 3 . 1 1 17 17 ALA H H 17 8.260 8.260 8.249 0.011 19673
517 1 3 . 1 1 18 18 ALA N N 18 118.854 118.854 121.384 -2.530 19673
518 1 3 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.798 0.196 19673
519 1 3 . 1 1 18 18 ALA C C 18 178.578 178.578 178.865 -0.287 19673
520 1 3 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.236 0.063 19673
521 1 3 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.933 -0.271 19673
522 1 3 . 1 1 18 18 ALA H H 18 8.027 8.027 7.739 0.288 19673
523 1 3 . 1 1 19 19 VAL N N 19 116.253 116.253 118.292 -2.039 19673
524 1 3 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.747 -0.101 19673
525 1 3 . 1 1 19 19 VAL C C 19 176.935 176.935 178.178 -1.243 19673
526 1 3 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.519 0.985 19673
527 1 3 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.892 0.127 19673
528 1 3 . 1 1 19 19 VAL H H 19 8.259 8.259 7.781 0.478 19673
529 1 3 . 1 1 20 20 VAL N N 20 118.427 118.427 118.318 0.109 19673
530 1 3 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.554 0.085 19673
531 1 3 . 1 1 20 20 VAL C C 20 177.044 177.044 178.268 -1.224 19673
532 1 3 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.571 0.931 19673
533 1 3 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.093 -0.192 19673
534 1 3 . 1 1 20 20 VAL H H 20 8.206 8.206 7.672 0.534 19673
535 1 3 . 1 1 21 21 VAL N N 21 118.319 118.319 119.958 -1.639 19673
536 1 3 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.519 0.057 19673
537 1 3 . 1 1 21 21 VAL C C 21 177.239 177.239 178.069 -0.830 19673
538 1 3 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.909 0.198 19673
539 1 3 . 1 1 21 21 VAL CB C 21 30.698 30.698 31.443 -0.745 19673
540 1 3 . 1 1 21 21 VAL H H 21 8.511 8.511 8.048 0.463 19673
541 1 3 . 1 1 22 22 GLY N N 22 106.678 106.678 108.423 -1.745 19673
542 1 3 . 1 1 22 22 GLY C C 22 174.192 174.192 177.100 -2.908 19673
543 1 3 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.978 -2.649 19673
544 1 3 . 1 1 22 22 GLY H H 22 8.665 8.665 8.609 0.056 19673
545 1 3 . 1 1 23 23 LEU N N 23 121.389 121.389 119.213 2.176 19673
546 1 3 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.974 0.313 19673
547 1 3 . 1 1 23 23 LEU C C 23 178.486 178.486 178.161 0.325 19673
548 1 3 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.981 1.137 19673
549 1 3 . 1 1 23 23 LEU H H 23 8.604 8.604 7.977 0.627 19673
550 1 3 . 1 1 24 24 VAL N N 24 118.366 118.366 121.619 -3.253 19673
551 1 3 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.825 -0.173 19673
552 1 3 . 1 1 24 24 VAL C C 24 177.109 177.109 178.061 -0.952 19673
553 1 3 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.603 1.389 19673
554 1 3 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.954 -1.162 19673
555 1 3 . 1 1 24 24 VAL H H 24 8.514 8.514 7.944 0.570 19673
556 1 3 . 1 1 25 25 ALA N N 25 121.150 121.150 120.805 0.345 19673
557 1 3 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.812 0.271 19673
558 1 3 . 1 1 25 25 ALA C C 25 178.345 178.345 179.699 -1.354 19673
559 1 3 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.245 -0.991 19673
560 1 3 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.125 -0.397 19673
561 1 3 . 1 1 25 25 ALA H H 25 8.864 8.864 7.996 0.868 19673
562 1 3 . 1 1 26 26 TYR N N 26 118.180 118.180 120.046 -1.866 19673
563 1 3 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.432 -0.142 19673
564 1 3 . 1 1 26 26 TYR C C 26 176.867 176.867 177.990 -1.123 19673
565 1 3 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.931 1.048 19673
566 1 3 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.776 0.750 19673
567 1 3 . 1 1 26 26 TYR H H 26 8.686 8.686 8.079 0.607 19673
568 1 3 . 1 1 27 27 ILE N N 27 118.426 118.426 121.113 -2.687 19673
569 1 3 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.975 -0.380 19673
570 1 3 . 1 1 27 27 ILE C C 27 177.922 177.922 177.877 0.045 19673
571 1 3 . 1 1 27 27 ILE CA C 27 64.740 64.740 63.930 0.810 19673
572 1 3 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.308 -0.933 19673
573 1 3 . 1 1 27 27 ILE H H 27 8.537 8.537 7.994 0.543 19673
574 1 3 . 1 1 28 28 ALA N N 28 121.944 121.944 121.729 0.215 19673
575 1 3 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.500 0.513 19673
576 1 3 . 1 1 28 28 ALA C C 28 178.779 178.779 179.219 -0.440 19673
577 1 3 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.753 -0.454 19673
578 1 3 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.749 -0.775 19673
579 1 3 . 1 1 28 28 ALA H H 28 8.920 8.920 8.033 0.887 19673
580 1 3 . 1 1 29 29 PHE N N 29 117.662 117.662 119.911 -2.249 19673
581 1 3 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.277 0.070 19673
582 1 3 . 1 1 29 29 PHE C C 29 177.543 177.543 177.665 -0.122 19673
583 1 3 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.173 0.033 19673
584 1 3 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.112 0.954 19673
585 1 3 . 1 1 29 29 PHE H H 29 8.868 8.868 8.108 0.760 19673
586 1 3 . 1 1 30 30 LYS N N 30 118.519 118.519 119.719 -1.200 19673
587 1 3 . 1 1 30 30 LYS HA H 30 3.994 3.994 3.952 0.042 19673
588 1 3 . 1 1 30 30 LYS C C 30 179.148 179.148 178.651 0.497 19673
589 1 3 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.192 -0.361 19673
590 1 3 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.485 -1.366 19673
591 1 3 . 1 1 30 30 LYS H H 30 8.437 8.437 7.793 0.644 19673
592 1 3 . 1 1 31 31 ARG N N 31 118.783 118.783 119.853 -1.070 19673
593 1 3 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.553 0.712 19673
594 1 3 . 1 1 31 31 ARG C C 31 178.041 178.041 178.188 -0.147 19673
595 1 3 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.039 -1.417 19673
596 1 3 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.690 0.138 19673
597 1 3 . 1 1 31 31 ARG H H 31 8.311 8.311 7.778 0.533 19673
598 1 3 . 1 1 32 32 TRP N N 32 121.389 121.389 119.546 1.843 19673
599 1 3 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.320 0.195 19673
600 1 3 . 1 1 32 32 TRP C C 32 176.935 176.935 178.758 -1.823 19673
601 1 3 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.473 -1.046 19673
602 1 3 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.130 -0.227 19673
603 1 3 . 1 1 32 32 TRP H H 32 8.579 8.579 7.670 0.909 19673
604 1 3 . 1 1 33 33 ASN N N 33 117.319 117.319 116.081 1.238 19673
605 1 3 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.651 -0.133 19673
606 1 3 . 1 1 33 33 ASN C C 33 175.770 175.770 176.373 -0.603 19673
607 1 3 . 1 1 33 33 ASN CA C 33 54.119 54.119 55.927 -1.808 19673
608 1 3 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.612 0.375 19673
609 1 3 . 1 1 33 33 ASN H H 33 8.313 8.313 8.476 -0.163 19673
610 1 3 . 1 1 34 34 SER N N 34 114.896 114.896 116.110 -1.214 19673
611 1 3 . 1 1 34 34 SER HA H 34 4.481 4.481 4.154 0.328 19673
612 1 3 . 1 1 34 34 SER C C 34 174.852 174.852 175.471 -0.619 19673
613 1 3 . 1 1 34 34 SER CA C 34 59.319 59.319 60.798 -1.479 19673
614 1 3 . 1 1 34 34 SER CB C 34 63.433 63.433 63.076 0.357 19673
615 1 3 . 1 1 34 34 SER H H 34 7.952 7.952 7.821 0.131 19673
616 1 3 . 1 1 35 35 SER N N 35 117.172 117.172 113.818 3.354 19673
617 1 3 . 1 1 35 35 SER HA H 35 4.518 4.518 4.386 0.132 19673
618 1 3 . 1 1 35 35 SER C C 35 174.485 174.485 176.263 -1.778 19673
619 1 3 . 1 1 35 35 SER CA C 35 58.833 58.833 59.992 -1.159 19673
620 1 3 . 1 1 35 35 SER CB C 35 63.445 63.445 63.873 -0.428 19673
621 1 3 . 1 1 35 35 SER H H 35 8.094 8.094 7.612 0.482 19673
622 1 3 . 1 1 36 36 LYS N N 36 122.146 122.146 121.623 0.523 19673
623 1 3 . 1 1 36 36 LYS HA H 36 4.374 4.374 3.957 0.417 19673
624 1 3 . 1 1 36 36 LYS C C 36 176.339 176.339 176.474 -0.135 19673
625 1 3 . 1 1 36 36 LYS CA C 36 56.197 56.197 58.856 -2.659 19673
626 1 3 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.480 -0.124 19673
627 1 3 . 1 1 36 36 LYS H H 36 8.011 8.011 7.571 0.440 19673
628 1 3 . 1 1 37 37 GLN N N 37 120.055 120.055 119.994 0.061 19673
629 1 3 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.341 0.077 19673
630 1 3 . 1 1 37 37 GLN C C 37 175.424 175.424 173.675 1.749 19673
631 1 3 . 1 1 37 37 GLN CA C 37 55.646 55.646 54.872 0.774 19673
632 1 3 . 1 1 37 37 GLN CB C 37 29.129 29.129 28.198 0.931 19673
633 1 3 . 1 1 37 37 GLN H H 37 8.177 8.177 7.260 0.917 19673
634 1 3 . 1 1 38 38 ASN N N 38 119.734 119.734 121.372 -1.638 19673
635 1 3 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.808 0.000 19673
636 1 3 . 1 1 38 38 ASN C C 38 174.550 174.550 173.859 0.691 19673
637 1 3 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.641 -0.601 19673
638 1 3 . 1 1 38 38 ASN H H 38 8.379 8.379 8.297 0.082 19673
639 1 3 . 1 1 39 39 LYS N N 39 121.900 121.900 121.268 0.632 19673
640 1 3 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.298 0.152 19673
641 1 3 . 1 1 39 39 LYS CA C 39 56.131 56.131 57.039 -0.909 19673
642 1 3 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.192 -0.417 19673
643 1 3 . 1 1 39 39 LYS H H 39 8.220 8.220 8.015 0.205 19673
644 1 3 . 1 1 40 40 GLN N N 40 126.738 126.738 123.889 2.849 19673
645 1 3 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.579 -0.292 19673
646 1 3 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.402 1.766 19673
647 1 3 . 1 1 40 40 GLN CB C 40 30.260 30.260 28.262 1.998 19673
648 1 3 . 1 1 40 40 GLN H H 40 8.004 8.004 8.462 -0.458 19673
649 1 4 . 1 1 2 2 ARG N N 2 122.743 122.743 119.912 2.831 19673
650 1 4 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.642 -0.130 19673
651 1 4 . 1 1 2 2 ARG C C 2 176.305 176.305 175.213 1.092 19673
652 1 4 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.171 0.956 19673
653 1 4 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.779 -1.063 19673
654 1 4 . 1 1 2 2 ARG H H 2 8.481 8.481 7.741 0.740 19673
655 1 4 . 1 1 3 3 GLY N N 3 109.588 109.588 110.726 -1.138 19673
656 1 4 . 1 1 3 3 GLY C C 3 174.092 174.092 174.716 -0.624 19673
657 1 4 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.143 0.026 19673
658 1 4 . 1 1 3 3 GLY H H 3 8.576 8.576 8.487 0.089 19673
659 1 4 . 1 1 4 4 THR N N 4 113.251 113.251 116.058 -2.807 19673
660 1 4 . 1 1 4 4 THR HA H 4 4.544 4.544 4.321 0.223 19673
661 1 4 . 1 1 4 4 THR C C 4 174.864 174.864 173.821 1.043 19673
662 1 4 . 1 1 4 4 THR CA C 4 61.955 61.955 61.967 -0.012 19673
663 1 4 . 1 1 4 4 THR H H 4 8.155 8.155 8.554 -0.399 19673
664 1 4 . 1 1 5 5 THR N N 5 114.461 114.461 113.732 0.729 19673
665 1 4 . 1 1 5 5 THR HA H 5 4.454 4.454 4.065 0.389 19673
666 1 4 . 1 1 5 5 THR C C 5 174.181 174.181 172.751 1.430 19673
667 1 4 . 1 1 5 5 THR CA C 5 62.062 62.062 62.452 -0.390 19673
668 1 4 . 1 1 5 5 THR CB C 5 69.306 69.306 68.417 0.889 19673
669 1 4 . 1 1 5 5 THR H H 5 8.243 8.243 7.971 0.272 19673
670 1 4 . 1 1 6 6 ASP N N 6 121.828 121.828 119.666 2.162 19673
671 1 4 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.732 -0.054 19673
672 1 4 . 1 1 6 6 ASP C C 6 175.797 175.797 175.362 0.435 19673
673 1 4 . 1 1 6 6 ASP CA C 6 54.813 54.813 52.664 2.149 19673
674 1 4 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.891 -0.879 19673
675 1 4 . 1 1 6 6 ASP H H 6 8.325 8.325 7.739 0.586 19673
676 1 4 . 1 1 7 7 ASN N N 7 117.808 117.808 123.245 -5.437 19673
677 1 4 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.690 0.138 19673
678 1 4 . 1 1 7 7 ASN C C 7 174.864 174.864 174.706 0.158 19673
679 1 4 . 1 1 7 7 ASN CA C 7 53.127 53.127 52.723 0.404 19673
680 1 4 . 1 1 7 7 ASN CB C 7 38.696 38.696 38.179 0.517 19673
681 1 4 . 1 1 7 7 ASN H H 7 8.267 8.267 8.636 -0.369 19673
682 1 4 . 1 1 8 8 LEU N N 8 121.126 121.126 119.984 1.142 19673
683 1 4 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.819 0.511 19673
684 1 4 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.750 0.069 19673
685 1 4 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.610 0.794 19673
686 1 4 . 1 1 8 8 LEU H H 8 8.452 8.452 8.392 0.060 19673
687 1 4 . 1 1 9 9 ILE N N 9 119.437 119.437 116.742 2.695 19673
688 1 4 . 1 1 9 9 ILE HA H 9 4.186 4.186 3.982 0.204 19673
689 1 4 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.610 0.231 19673
690 1 4 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.316 -2.550 19673
691 1 4 . 1 1 9 9 ILE H H 9 8.250 8.250 7.672 0.578 19673
692 1 4 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.064 0.316 19673
693 1 4 . 1 1 10 10 PRO CA C 10 64.946 64.946 67.509 -2.563 19673
694 1 4 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.907 1.684 19673
695 1 4 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.987 -0.151 19673
696 1 4 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.191 1.799 19673
697 1 4 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.026 0.109 19673
698 1 4 . 1 1 12 12 TYR N N 12 117.971 117.971 119.685 -1.714 19673
699 1 4 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.050 0.380 19673
700 1 4 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.663 -1.889 19673
701 1 4 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.224 -1.189 19673
702 1 4 . 1 1 12 12 TYR H H 12 8.341 8.341 7.843 0.498 19673
703 1 4 . 1 1 13 13 CYS N N 13 115.494 115.494 116.990 -1.496 19673
704 1 4 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.172 0.189 19673
705 1 4 . 1 1 13 13 CYS C C 13 175.298 175.298 177.191 -1.893 19673
706 1 4 . 1 1 13 13 CYS CA C 13 59.085 59.085 61.813 -2.728 19673
707 1 4 . 1 1 13 13 CYS CB C 13 41.529 41.529 25.643 15.886 19673
708 1 4 . 1 1 13 13 CYS H H 13 8.681 8.681 7.105 1.576 19673
709 1 4 . 1 1 14 14 SER N N 14 116.691 116.691 115.348 1.343 19673
710 1 4 . 1 1 14 14 SER HA H 14 4.200 4.200 4.196 0.004 19673
711 1 4 . 1 1 14 14 SER C C 14 174.951 174.951 177.132 -2.181 19673
712 1 4 . 1 1 14 14 SER CA C 14 62.671 62.671 61.121 1.550 19673
713 1 4 . 1 1 14 14 SER CB C 14 62.565 62.565 61.082 1.483 19673
714 1 4 . 1 1 14 14 SER H H 14 7.923 7.923 8.162 -0.239 19673
715 1 4 . 1 1 15 15 ILE N N 15 120.993 120.993 121.894 -0.901 19673
716 1 4 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.987 -0.222 19673
717 1 4 . 1 1 15 15 ILE C C 15 176.935 176.935 178.131 -1.196 19673
718 1 4 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.215 -0.099 19673
719 1 4 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.458 -0.096 19673
720 1 4 . 1 1 15 15 ILE H H 15 7.930 7.930 7.994 -0.064 19673
721 1 4 . 1 1 16 16 LEU N N 16 118.319 118.319 122.915 -4.596 19673
722 1 4 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.916 0.146 19673
723 1 4 . 1 1 16 16 LEU C C 16 177.684 177.684 178.428 -0.744 19673
724 1 4 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.581 -0.629 19673
725 1 4 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.018 -0.466 19673
726 1 4 . 1 1 16 16 LEU H H 16 8.037 8.037 8.142 -0.105 19673
727 1 4 . 1 1 17 17 ALA N N 17 118.970 118.970 122.697 -3.727 19673
728 1 4 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.950 0.065 19673
729 1 4 . 1 1 17 17 ALA C C 17 177.814 177.814 178.788 -0.974 19673
730 1 4 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.661 -0.362 19673
731 1 4 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.821 -1.195 19673
732 1 4 . 1 1 17 17 ALA H H 17 8.260 8.260 8.358 -0.098 19673
733 1 4 . 1 1 18 18 ALA N N 18 118.854 118.854 121.566 -2.712 19673
734 1 4 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.827 0.167 19673
735 1 4 . 1 1 18 18 ALA C C 18 178.578 178.578 178.939 -0.361 19673
736 1 4 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.197 0.102 19673
737 1 4 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.992 -0.330 19673
738 1 4 . 1 1 18 18 ALA H H 18 8.027 8.027 7.920 0.107 19673
739 1 4 . 1 1 19 19 VAL N N 19 116.253 116.253 118.041 -1.788 19673
740 1 4 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.787 -0.141 19673
741 1 4 . 1 1 19 19 VAL C C 19 176.935 176.935 178.091 -1.156 19673
742 1 4 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.371 1.133 19673
743 1 4 . 1 1 19 19 VAL CB C 19 31.019 31.019 31.039 -0.020 19673
744 1 4 . 1 1 19 19 VAL H H 19 8.259 8.259 7.744 0.515 19673
745 1 4 . 1 1 20 20 VAL N N 20 118.427 118.427 119.093 -0.666 19673
746 1 4 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.535 0.104 19673
747 1 4 . 1 1 20 20 VAL C C 20 177.044 177.044 178.344 -1.300 19673
748 1 4 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.660 0.842 19673
749 1 4 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.557 -0.656 19673
750 1 4 . 1 1 20 20 VAL H H 20 8.206 8.206 7.734 0.472 19673
751 1 4 . 1 1 21 21 VAL N N 21 118.319 118.319 119.565 -1.246 19673
752 1 4 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.608 -0.032 19673
753 1 4 . 1 1 21 21 VAL C C 21 177.239 177.239 177.982 -0.743 19673
754 1 4 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.496 0.612 19673
755 1 4 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.549 0.149 19673
756 1 4 . 1 1 21 21 VAL H H 21 8.511 8.511 8.282 0.229 19673
757 1 4 . 1 1 22 22 GLY N N 22 106.678 106.678 108.439 -1.761 19673
758 1 4 . 1 1 22 22 GLY C C 22 174.192 174.192 177.036 -2.844 19673
759 1 4 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.791 -2.462 19673
760 1 4 . 1 1 22 22 GLY H H 22 8.665 8.665 8.425 0.240 19673
761 1 4 . 1 1 23 23 LEU N N 23 121.389 121.389 119.351 2.038 19673
762 1 4 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.986 0.301 19673
763 1 4 . 1 1 23 23 LEU C C 23 178.486 178.486 178.019 0.467 19673
764 1 4 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.974 1.144 19673
765 1 4 . 1 1 23 23 LEU H H 23 8.604 8.604 7.909 0.695 19673
766 1 4 . 1 1 24 24 VAL N N 24 118.366 118.366 121.462 -3.096 19673
767 1 4 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.861 -0.209 19673
768 1 4 . 1 1 24 24 VAL C C 24 177.109 177.109 177.902 -0.793 19673
769 1 4 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.559 1.432 19673
770 1 4 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.925 -1.133 19673
771 1 4 . 1 1 24 24 VAL H H 24 8.514 8.514 8.062 0.452 19673
772 1 4 . 1 1 25 25 ALA N N 25 121.150 121.150 120.830 0.320 19673
773 1 4 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.783 0.300 19673
774 1 4 . 1 1 25 25 ALA C C 25 178.345 178.345 179.801 -1.456 19673
775 1 4 . 1 1 25 25 ALA CA C 25 55.254 55.254 55.908 -0.654 19673
776 1 4 . 1 1 25 25 ALA CB C 25 17.728 17.728 17.811 -0.083 19673
777 1 4 . 1 1 25 25 ALA H H 25 8.864 8.864 8.279 0.585 19673
778 1 4 . 1 1 26 26 TYR N N 26 118.180 118.180 120.091 -1.911 19673
779 1 4 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.477 -0.187 19673
780 1 4 . 1 1 26 26 TYR C C 26 176.867 176.867 177.981 -1.114 19673
781 1 4 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.913 1.066 19673
782 1 4 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.821 0.705 19673
783 1 4 . 1 1 26 26 TYR H H 26 8.686 8.686 8.184 0.502 19673
784 1 4 . 1 1 27 27 ILE N N 27 118.426 118.426 121.095 -2.669 19673
785 1 4 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.969 -0.374 19673
786 1 4 . 1 1 27 27 ILE C C 27 177.922 177.922 177.854 0.068 19673
787 1 4 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.164 0.576 19673
788 1 4 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.350 -0.975 19673
789 1 4 . 1 1 27 27 ILE H H 27 8.537 8.537 7.936 0.601 19673
790 1 4 . 1 1 28 28 ALA N N 28 121.944 121.944 121.593 0.351 19673
791 1 4 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.460 0.553 19673
792 1 4 . 1 1 28 28 ALA C C 28 178.779 178.779 178.989 -0.210 19673
793 1 4 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.484 -0.185 19673
794 1 4 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.750 -0.776 19673
795 1 4 . 1 1 28 28 ALA H H 28 8.920 8.920 8.033 0.887 19673
796 1 4 . 1 1 29 29 PHE N N 29 117.662 117.662 119.878 -2.216 19673
797 1 4 . 1 1 29 29 PHE HA H 29 4.347 4.347 3.739 0.608 19673
798 1 4 . 1 1 29 29 PHE C C 29 177.543 177.543 177.244 0.299 19673
799 1 4 . 1 1 29 29 PHE CA C 29 61.206 61.206 60.938 0.269 19673
800 1 4 . 1 1 29 29 PHE CB C 29 39.066 39.066 37.765 1.301 19673
801 1 4 . 1 1 29 29 PHE H H 29 8.868 8.868 8.021 0.847 19673
802 1 4 . 1 1 30 30 LYS N N 30 118.519 118.519 119.258 -0.739 19673
803 1 4 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.103 -0.109 19673
804 1 4 . 1 1 30 30 LYS C C 30 179.148 179.148 178.311 0.837 19673
805 1 4 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.524 -0.693 19673
806 1 4 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.536 -1.417 19673
807 1 4 . 1 1 30 30 LYS H H 30 8.437 8.437 7.811 0.626 19673
808 1 4 . 1 1 31 31 ARG N N 31 118.783 118.783 117.908 0.875 19673
809 1 4 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.629 0.636 19673
810 1 4 . 1 1 31 31 ARG C C 31 178.041 178.041 178.437 -0.396 19673
811 1 4 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.605 -0.982 19673
812 1 4 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.673 0.155 19673
813 1 4 . 1 1 31 31 ARG H H 31 8.311 8.311 7.479 0.832 19673
814 1 4 . 1 1 32 32 TRP N N 32 121.389 121.389 120.142 1.247 19673
815 1 4 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.239 0.276 19673
816 1 4 . 1 1 32 32 TRP C C 32 176.935 176.935 177.212 -0.277 19673
817 1 4 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.117 -0.690 19673
818 1 4 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.408 -0.505 19673
819 1 4 . 1 1 32 32 TRP H H 32 8.579 8.579 7.561 1.018 19673
820 1 4 . 1 1 33 33 ASN N N 33 117.319 117.319 112.982 4.337 19673
821 1 4 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.833 -0.315 19673
822 1 4 . 1 1 33 33 ASN C C 33 175.770 175.770 176.488 -0.718 19673
823 1 4 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.255 0.864 19673
824 1 4 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.438 0.549 19673
825 1 4 . 1 1 33 33 ASN H H 33 8.313 8.313 8.298 0.015 19673
826 1 4 . 1 1 34 34 SER N N 34 114.896 114.896 115.010 -0.114 19673
827 1 4 . 1 1 34 34 SER HA H 34 4.481 4.481 4.144 0.337 19673
828 1 4 . 1 1 34 34 SER C C 34 174.852 174.852 175.404 -0.552 19673
829 1 4 . 1 1 34 34 SER CA C 34 59.319 59.319 60.709 -1.390 19673
830 1 4 . 1 1 34 34 SER CB C 34 63.433 63.433 63.451 -0.018 19673
831 1 4 . 1 1 34 34 SER H H 34 7.952 7.952 7.705 0.247 19673
832 1 4 . 1 1 35 35 SER N N 35 117.172 117.172 110.923 6.249 19673
833 1 4 . 1 1 35 35 SER HA H 35 4.518 4.518 4.443 0.075 19673
834 1 4 . 1 1 35 35 SER C C 35 174.485 174.485 174.760 -0.275 19673
835 1 4 . 1 1 35 35 SER CA C 35 58.833 58.833 58.193 0.640 19673
836 1 4 . 1 1 35 35 SER CB C 35 63.445 63.445 63.825 -0.380 19673
837 1 4 . 1 1 35 35 SER H H 35 8.094 8.094 7.702 0.392 19673
838 1 4 . 1 1 36 36 LYS N N 36 122.146 122.146 123.734 -1.588 19673
839 1 4 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.003 0.371 19673
840 1 4 . 1 1 36 36 LYS C C 36 176.339 176.339 176.627 -0.288 19673
841 1 4 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.469 -1.272 19673
842 1 4 . 1 1 36 36 LYS CB C 36 32.357 32.357 33.128 -0.771 19673
843 1 4 . 1 1 36 36 LYS H H 36 8.011 8.011 7.678 0.333 19673
844 1 4 . 1 1 37 37 GLN N N 37 120.055 120.055 120.461 -0.406 19673
845 1 4 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.518 -0.100 19673
846 1 4 . 1 1 37 37 GLN C C 37 175.424 175.424 176.134 -0.710 19673
847 1 4 . 1 1 37 37 GLN CA C 37 55.646 55.646 56.016 -0.369 19673
848 1 4 . 1 1 37 37 GLN CB C 37 29.129 29.129 29.966 -0.837 19673
849 1 4 . 1 1 37 37 GLN H H 37 8.177 8.177 8.709 -0.532 19673
850 1 4 . 1 1 38 38 ASN N N 38 119.734 119.734 115.239 4.495 19673
851 1 4 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.906 -0.098 19673
852 1 4 . 1 1 38 38 ASN C C 38 174.550 174.550 174.154 0.396 19673
853 1 4 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.140 -0.100 19673
854 1 4 . 1 1 38 38 ASN H H 38 8.379 8.379 8.115 0.264 19673
855 1 4 . 1 1 39 39 LYS N N 39 121.900 121.900 122.229 -0.329 19673
856 1 4 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.469 -0.019 19673
857 1 4 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.559 -0.428 19673
858 1 4 . 1 1 39 39 LYS CB C 39 32.775 32.775 34.108 -1.333 19673
859 1 4 . 1 1 39 39 LYS H H 39 8.220 8.220 8.210 0.010 19673
860 1 4 . 1 1 40 40 GLN N N 40 126.738 126.738 119.754 6.984 19673
861 1 4 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.664 -0.377 19673
862 1 4 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.161 2.007 19673
863 1 4 . 1 1 40 40 GLN CB C 40 30.260 30.260 29.947 0.313 19673
864 1 4 . 1 1 40 40 GLN H H 40 8.004 8.004 8.091 -0.087 19673
865 1 5 . 1 1 2 2 ARG N N 2 122.743 122.743 123.417 -0.674 19673
866 1 5 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.178 0.334 19673
867 1 5 . 1 1 2 2 ARG C C 2 176.305 176.305 175.090 1.215 19673
868 1 5 . 1 1 2 2 ARG CA C 2 56.127 56.127 56.045 0.082 19673
869 1 5 . 1 1 2 2 ARG CB C 2 30.716 30.716 30.647 0.069 19673
870 1 5 . 1 1 2 2 ARG H H 2 8.481 8.481 8.168 0.313 19673
871 1 5 . 1 1 3 3 GLY N N 3 109.588 109.588 113.192 -3.604 19673
872 1 5 . 1 1 3 3 GLY C C 3 174.092 174.092 174.909 -0.817 19673
873 1 5 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.127 0.042 19673
874 1 5 . 1 1 3 3 GLY H H 3 8.576 8.576 8.465 0.111 19673
875 1 5 . 1 1 4 4 THR N N 4 113.251 113.251 119.379 -6.128 19673
876 1 5 . 1 1 4 4 THR HA H 4 4.544 4.544 4.325 0.219 19673
877 1 5 . 1 1 4 4 THR C C 4 174.864 174.864 173.504 1.360 19673
878 1 5 . 1 1 4 4 THR CA C 4 61.955 61.955 62.613 -0.658 19673
879 1 5 . 1 1 4 4 THR H H 4 8.155 8.155 8.720 -0.565 19673
880 1 5 . 1 1 5 5 THR N N 5 114.461 114.461 113.789 0.672 19673
881 1 5 . 1 1 5 5 THR HA H 5 4.454 4.454 4.033 0.421 19673
882 1 5 . 1 1 5 5 THR C C 5 174.181 174.181 174.757 -0.576 19673
883 1 5 . 1 1 5 5 THR CA C 5 62.062 62.062 62.773 -0.711 19673
884 1 5 . 1 1 5 5 THR CB C 5 69.306 69.306 68.226 1.080 19673
885 1 5 . 1 1 5 5 THR H H 5 8.243 8.243 8.002 0.240 19673
886 1 5 . 1 1 6 6 ASP N N 6 121.828 121.828 120.376 1.452 19673
887 1 5 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.704 -0.026 19673
888 1 5 . 1 1 6 6 ASP C C 6 175.797 175.797 175.513 0.284 19673
889 1 5 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.662 0.151 19673
890 1 5 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.471 -0.459 19673
891 1 5 . 1 1 6 6 ASP H H 6 8.325 8.325 7.889 0.436 19673
892 1 5 . 1 1 7 7 ASN N N 7 117.808 117.808 118.485 -0.677 19673
893 1 5 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.514 0.314 19673
894 1 5 . 1 1 7 7 ASN C C 7 174.864 174.864 174.102 0.762 19673
895 1 5 . 1 1 7 7 ASN CA C 7 53.127 53.127 53.938 -0.811 19673
896 1 5 . 1 1 7 7 ASN CB C 7 38.696 38.696 36.402 2.294 19673
897 1 5 . 1 1 7 7 ASN H H 7 8.267 8.267 8.417 -0.150 19673
898 1 5 . 1 1 8 8 LEU N N 8 121.126 121.126 118.149 2.977 19673
899 1 5 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.921 0.409 19673
900 1 5 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.843 -0.024 19673
901 1 5 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.715 0.689 19673
902 1 5 . 1 1 8 8 LEU H H 8 8.452 8.452 8.543 -0.091 19673
903 1 5 . 1 1 9 9 ILE N N 9 119.437 119.437 119.987 -0.550 19673
904 1 5 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.128 0.058 19673
905 1 5 . 1 1 9 9 ILE CA C 9 62.841 62.841 61.565 1.276 19673
906 1 5 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.429 -2.662 19673
907 1 5 . 1 1 9 9 ILE H H 9 8.250 8.250 7.985 0.265 19673
908 1 5 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.332 0.048 19673
909 1 5 . 1 1 10 10 PRO CA C 10 64.946 64.946 67.716 -2.770 19673
910 1 5 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.352 1.239 19673
911 1 5 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.088 -0.252 19673
912 1 5 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.246 1.744 19673
913 1 5 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.129 0.007 19673
914 1 5 . 1 1 12 12 TYR N N 12 117.971 117.971 119.708 -1.737 19673
915 1 5 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.246 0.184 19673
916 1 5 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.017 -1.244 19673
917 1 5 . 1 1 12 12 TYR CB C 12 37.035 37.035 37.853 -0.818 19673
918 1 5 . 1 1 12 12 TYR H H 12 8.341 8.341 8.161 0.180 19673
919 1 5 . 1 1 13 13 CYS N N 13 115.494 115.494 118.795 -3.301 19673
920 1 5 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.163 0.198 19673
921 1 5 . 1 1 13 13 CYS C C 13 175.298 175.298 177.245 -1.947 19673
922 1 5 . 1 1 13 13 CYS CA C 13 59.085 59.085 63.273 -4.188 19673
923 1 5 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.357 15.172 19673
924 1 5 . 1 1 13 13 CYS H H 13 8.681 8.681 7.787 0.894 19673
925 1 5 . 1 1 14 14 SER N N 14 116.691 116.691 115.087 1.604 19673
926 1 5 . 1 1 14 14 SER HA H 14 4.200 4.200 4.153 0.047 19673
927 1 5 . 1 1 14 14 SER C C 14 174.951 174.951 176.958 -2.007 19673
928 1 5 . 1 1 14 14 SER CA C 14 62.671 62.671 60.910 1.761 19673
929 1 5 . 1 1 14 14 SER CB C 14 62.565 62.565 61.215 1.350 19673
930 1 5 . 1 1 14 14 SER H H 14 7.923 7.923 8.209 -0.286 19673
931 1 5 . 1 1 15 15 ILE N N 15 120.993 120.993 122.104 -1.111 19673
932 1 5 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.926 -0.161 19673
933 1 5 . 1 1 15 15 ILE C C 15 176.935 176.935 178.150 -1.215 19673
934 1 5 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.745 -0.629 19673
935 1 5 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.827 -0.465 19673
936 1 5 . 1 1 15 15 ILE H H 15 7.930 7.930 7.637 0.293 19673
937 1 5 . 1 1 16 16 LEU N N 16 118.319 118.319 123.350 -5.031 19673
938 1 5 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.882 0.180 19673
939 1 5 . 1 1 16 16 LEU C C 16 177.684 177.684 178.518 -0.834 19673
940 1 5 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.540 -0.588 19673
941 1 5 . 1 1 16 16 LEU CB C 16 41.552 41.552 41.847 -0.295 19673
942 1 5 . 1 1 16 16 LEU H H 16 8.037 8.037 8.475 -0.438 19673
943 1 5 . 1 1 17 17 ALA N N 17 118.970 118.970 122.588 -3.618 19673
944 1 5 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.867 0.148 19673
945 1 5 . 1 1 17 17 ALA C C 17 177.814 177.814 178.863 -1.049 19673
946 1 5 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.654 -0.355 19673
947 1 5 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.732 -1.106 19673
948 1 5 . 1 1 17 17 ALA H H 17 8.260 8.260 8.213 0.047 19673
949 1 5 . 1 1 18 18 ALA N N 18 118.854 118.854 121.354 -2.500 19673
950 1 5 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.794 0.200 19673
951 1 5 . 1 1 18 18 ALA C C 18 178.578 178.578 178.888 -0.310 19673
952 1 5 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.245 0.054 19673
953 1 5 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.964 -0.302 19673
954 1 5 . 1 1 18 18 ALA H H 18 8.027 8.027 7.738 0.289 19673
955 1 5 . 1 1 19 19 VAL N N 19 116.253 116.253 118.172 -1.919 19673
956 1 5 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.804 -0.158 19673
957 1 5 . 1 1 19 19 VAL C C 19 176.935 176.935 178.144 -1.209 19673
958 1 5 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.477 1.027 19673
959 1 5 . 1 1 19 19 VAL CB C 19 31.019 31.019 31.064 -0.045 19673
960 1 5 . 1 1 19 19 VAL H H 19 8.259 8.259 7.821 0.438 19673
961 1 5 . 1 1 20 20 VAL N N 20 118.427 118.427 118.203 0.224 19673
962 1 5 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.691 -0.052 19673
963 1 5 . 1 1 20 20 VAL C C 20 177.044 177.044 178.413 -1.369 19673
964 1 5 . 1 1 20 20 VAL CA C 20 67.502 67.502 65.831 1.671 19673
965 1 5 . 1 1 20 20 VAL CB C 20 30.901 30.901 30.970 -0.069 19673
966 1 5 . 1 1 20 20 VAL H H 20 8.206 8.206 7.795 0.411 19673
967 1 5 . 1 1 21 21 VAL N N 21 118.319 118.319 120.458 -2.139 19673
968 1 5 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.710 -0.134 19673
969 1 5 . 1 1 21 21 VAL C C 21 177.239 177.239 177.969 -0.730 19673
970 1 5 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.519 0.589 19673
971 1 5 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.875 -0.177 19673
972 1 5 . 1 1 21 21 VAL H H 21 8.511 8.511 7.994 0.517 19673
973 1 5 . 1 1 22 22 GLY N N 22 106.678 106.678 108.770 -2.092 19673
974 1 5 . 1 1 22 22 GLY C C 22 174.192 174.192 177.279 -3.087 19673
975 1 5 . 1 1 22 22 GLY CA C 22 47.329 47.329 50.055 -2.726 19673
976 1 5 . 1 1 22 22 GLY H H 22 8.665 8.665 8.791 -0.126 19673
977 1 5 . 1 1 23 23 LEU N N 23 121.389 121.389 119.448 1.941 19673
978 1 5 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.053 0.234 19673
979 1 5 . 1 1 23 23 LEU C C 23 178.486 178.486 177.981 0.505 19673
980 1 5 . 1 1 23 23 LEU CA C 23 58.118 58.118 57.011 1.107 19673
981 1 5 . 1 1 23 23 LEU H H 23 8.604 8.604 7.974 0.630 19673
982 1 5 . 1 1 24 24 VAL N N 24 118.366 118.366 121.832 -3.466 19673
983 1 5 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.850 -0.198 19673
984 1 5 . 1 1 24 24 VAL C C 24 177.109 177.109 178.021 -0.912 19673
985 1 5 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.241 1.750 19673
986 1 5 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.780 -0.988 19673
987 1 5 . 1 1 24 24 VAL H H 24 8.514 8.514 7.676 0.838 19673
988 1 5 . 1 1 25 25 ALA N N 25 121.150 121.150 120.697 0.453 19673
989 1 5 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.794 0.289 19673
990 1 5 . 1 1 25 25 ALA C C 25 178.345 178.345 179.792 -1.447 19673
991 1 5 . 1 1 25 25 ALA CA C 25 55.254 55.254 55.752 -0.498 19673
992 1 5 . 1 1 25 25 ALA CB C 25 17.728 17.728 17.446 0.282 19673
993 1 5 . 1 1 25 25 ALA H H 25 8.864 8.864 8.222 0.642 19673
994 1 5 . 1 1 26 26 TYR N N 26 118.180 118.180 120.713 -2.533 19673
995 1 5 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.229 0.061 19673
996 1 5 . 1 1 26 26 TYR C C 26 176.867 176.867 177.889 -1.022 19673
997 1 5 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.125 0.854 19673
998 1 5 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.726 0.800 19673
999 1 5 . 1 1 26 26 TYR H H 26 8.686 8.686 7.915 0.771 19673
1000 1 5 . 1 1 27 27 ILE N N 27 118.426 118.426 120.614 -2.188 19673
1001 1 5 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.967 -0.372 19673
1002 1 5 . 1 1 27 27 ILE C C 27 177.922 177.922 177.912 0.010 19673
1003 1 5 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.843 -0.103 19673
1004 1 5 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.259 -0.884 19673
1005 1 5 . 1 1 27 27 ILE H H 27 8.537 8.537 8.294 0.243 19673
1006 1 5 . 1 1 28 28 ALA N N 28 121.944 121.944 120.250 1.694 19673
1007 1 5 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.736 0.277 19673
1008 1 5 . 1 1 28 28 ALA C C 28 178.779 178.779 178.832 -0.053 19673
1009 1 5 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.243 0.056 19673
1010 1 5 . 1 1 28 28 ALA CB C 28 17.974 17.974 19.158 -1.184 19673
1011 1 5 . 1 1 28 28 ALA H H 28 8.920 8.920 8.063 0.857 19673
1012 1 5 . 1 1 29 29 PHE N N 29 117.662 117.662 121.085 -3.423 19673
1013 1 5 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.398 -0.051 19673
1014 1 5 . 1 1 29 29 PHE C C 29 177.543 177.543 177.780 -0.237 19673
1015 1 5 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.384 -0.178 19673
1016 1 5 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.134 0.932 19673
1017 1 5 . 1 1 29 29 PHE H H 29 8.868 8.868 8.335 0.533 19673
1018 1 5 . 1 1 30 30 LYS N N 30 118.519 118.519 117.992 0.527 19673
1019 1 5 . 1 1 30 30 LYS HA H 30 3.994 3.994 3.977 0.017 19673
1020 1 5 . 1 1 30 30 LYS C C 30 179.148 179.148 178.853 0.295 19673
1021 1 5 . 1 1 30 30 LYS CA C 30 57.831 57.831 59.700 -1.869 19673
1022 1 5 . 1 1 30 30 LYS CB C 30 31.119 31.119 31.963 -0.845 19673
1023 1 5 . 1 1 30 30 LYS H H 30 8.437 8.437 8.160 0.277 19673
1024 1 5 . 1 1 31 31 ARG N N 31 118.783 118.783 119.497 -0.714 19673
1025 1 5 . 1 1 31 31 ARG HA H 31 4.265 4.265 4.002 0.263 19673
1026 1 5 . 1 1 31 31 ARG C C 31 178.041 178.041 178.219 -0.178 19673
1027 1 5 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.514 -1.891 19673
1028 1 5 . 1 1 31 31 ARG CB C 31 29.828 29.828 30.193 -0.365 19673
1029 1 5 . 1 1 31 31 ARG H H 31 8.311 8.311 7.769 0.542 19673
1030 1 5 . 1 1 32 32 TRP N N 32 121.389 121.389 119.124 2.265 19673
1031 1 5 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.342 0.173 19673
1032 1 5 . 1 1 32 32 TRP C C 32 176.935 176.935 179.341 -2.406 19673
1033 1 5 . 1 1 32 32 TRP CA C 32 59.427 59.427 59.926 -0.499 19673
1034 1 5 . 1 1 32 32 TRP CB C 32 28.903 28.903 28.739 0.164 19673
1035 1 5 . 1 1 32 32 TRP H H 32 8.579 8.579 7.693 0.886 19673
1036 1 5 . 1 1 33 33 ASN N N 33 117.319 117.319 117.174 0.145 19673
1037 1 5 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.744 -0.226 19673
1038 1 5 . 1 1 33 33 ASN C C 33 175.770 175.770 175.860 -0.090 19673
1039 1 5 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.732 -0.613 19673
1040 1 5 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.582 0.405 19673
1041 1 5 . 1 1 33 33 ASN H H 33 8.313 8.313 8.959 -0.646 19673
1042 1 5 . 1 1 34 34 SER N N 34 114.896 114.896 113.490 1.406 19673
1043 1 5 . 1 1 34 34 SER HA H 34 4.481 4.481 4.473 0.008 19673
1044 1 5 . 1 1 34 34 SER C C 34 174.852 174.852 175.054 -0.202 19673
1045 1 5 . 1 1 34 34 SER CA C 34 59.319 59.319 58.822 0.497 19673
1046 1 5 . 1 1 34 34 SER CB C 34 63.433 63.433 64.115 -0.682 19673
1047 1 5 . 1 1 34 34 SER H H 34 7.952 7.952 7.556 0.396 19673
1048 1 5 . 1 1 35 35 SER N N 35 117.172 117.172 112.472 4.700 19673
1049 1 5 . 1 1 35 35 SER HA H 35 4.518 4.518 4.143 0.375 19673
1050 1 5 . 1 1 35 35 SER C C 35 174.485 174.485 174.641 -0.156 19673
1051 1 5 . 1 1 35 35 SER CA C 35 58.833 58.833 59.683 -0.850 19673
1052 1 5 . 1 1 35 35 SER CB C 35 63.445 63.445 61.678 1.767 19673
1053 1 5 . 1 1 35 35 SER H H 35 8.094 8.094 7.815 0.279 19673
1054 1 5 . 1 1 36 36 LYS N N 36 122.146 122.146 120.994 1.152 19673
1055 1 5 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.051 0.323 19673
1056 1 5 . 1 1 36 36 LYS C C 36 176.339 176.339 176.834 -0.495 19673
1057 1 5 . 1 1 36 36 LYS CA C 36 56.197 56.197 59.004 -2.807 19673
1058 1 5 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.976 -0.619 19673
1059 1 5 . 1 1 36 36 LYS H H 36 8.011 8.011 7.713 0.298 19673
1060 1 5 . 1 1 37 37 GLN N N 37 120.055 120.055 118.749 1.306 19673
1061 1 5 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.087 0.331 19673
1062 1 5 . 1 1 37 37 GLN C C 37 175.424 175.424 173.928 1.496 19673
1063 1 5 . 1 1 37 37 GLN CA C 37 55.646 55.646 56.792 -1.146 19673
1064 1 5 . 1 1 37 37 GLN CB C 37 29.129 29.129 27.677 1.452 19673
1065 1 5 . 1 1 37 37 GLN H H 37 8.177 8.177 8.367 -0.190 19673
1066 1 5 . 1 1 38 38 ASN N N 38 119.734 119.734 120.557 -0.823 19673
1067 1 5 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.822 -0.014 19673
1068 1 5 . 1 1 38 38 ASN C C 38 174.550 174.550 174.184 0.366 19673
1069 1 5 . 1 1 38 38 ASN CA C 38 53.040 53.040 52.271 0.769 19673
1070 1 5 . 1 1 38 38 ASN H H 38 8.379 8.379 8.250 0.129 19673
1071 1 5 . 1 1 39 39 LYS N N 39 121.900 121.900 123.721 -1.821 19673
1072 1 5 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.418 0.032 19673
1073 1 5 . 1 1 39 39 LYS CA C 39 56.131 56.131 57.058 -0.927 19673
1074 1 5 . 1 1 39 39 LYS CB C 39 32.775 32.775 32.983 -0.207 19673
1075 1 5 . 1 1 39 39 LYS H H 39 8.220 8.220 8.616 -0.396 19673
1076 1 5 . 1 1 40 40 GLN N N 40 126.738 126.738 123.220 3.518 19673
1077 1 5 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.494 -0.207 19673
1078 1 5 . 1 1 40 40 GLN CA C 40 57.168 57.168 56.393 0.775 19673
1079 1 5 . 1 1 40 40 GLN CB C 40 30.260 30.260 30.266 -0.006 19673
1080 1 5 . 1 1 40 40 GLN H H 40 8.004 8.004 8.579 -0.575 19673
1081 1 6 . 1 1 2 2 ARG N N 2 122.743 122.743 119.706 3.037 19673
1082 1 6 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.584 -0.072 19673
1083 1 6 . 1 1 2 2 ARG C C 2 176.305 176.305 175.538 0.767 19673
1084 1 6 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.177 0.950 19673
1085 1 6 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.393 -0.677 19673
1086 1 6 . 1 1 2 2 ARG H H 2 8.481 8.481 7.880 0.601 19673
1087 1 6 . 1 1 3 3 GLY N N 3 109.588 109.588 108.275 1.313 19673
1088 1 6 . 1 1 3 3 GLY C C 3 174.092 174.092 175.086 -0.994 19673
1089 1 6 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.597 -0.428 19673
1090 1 6 . 1 1 3 3 GLY H H 3 8.576 8.576 8.400 0.176 19673
1091 1 6 . 1 1 4 4 THR N N 4 113.251 113.251 114.144 -0.893 19673
1092 1 6 . 1 1 4 4 THR HA H 4 4.544 4.544 4.237 0.307 19673
1093 1 6 . 1 1 4 4 THR C C 4 174.864 174.864 174.362 0.502 19673
1094 1 6 . 1 1 4 4 THR CA C 4 61.955 61.955 61.958 -0.002 19673
1095 1 6 . 1 1 4 4 THR H H 4 8.155 8.155 8.219 -0.064 19673
1096 1 6 . 1 1 5 5 THR N N 5 114.461 114.461 114.387 0.074 19673
1097 1 6 . 1 1 5 5 THR HA H 5 4.454 4.454 4.145 0.309 19673
1098 1 6 . 1 1 5 5 THR C C 5 174.181 174.181 175.083 -0.902 19673
1099 1 6 . 1 1 5 5 THR CA C 5 62.062 62.062 63.631 -1.569 19673
1100 1 6 . 1 1 5 5 THR CB C 5 69.306 69.306 69.273 0.033 19673
1101 1 6 . 1 1 5 5 THR H H 5 8.243 8.243 7.979 0.264 19673
1102 1 6 . 1 1 6 6 ASP N N 6 121.828 121.828 123.968 -2.140 19673
1103 1 6 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.506 0.172 19673
1104 1 6 . 1 1 6 6 ASP C C 6 175.797 175.797 175.777 0.020 19673
1105 1 6 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.382 0.431 19673
1106 1 6 . 1 1 6 6 ASP CB C 6 41.012 41.012 40.758 0.255 19673
1107 1 6 . 1 1 6 6 ASP H H 6 8.325 8.325 7.831 0.494 19673
1108 1 6 . 1 1 7 7 ASN N N 7 117.808 117.808 123.990 -6.182 19673
1109 1 6 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.722 0.106 19673
1110 1 6 . 1 1 7 7 ASN C C 7 174.864 174.864 175.626 -0.762 19673
1111 1 6 . 1 1 7 7 ASN CA C 7 53.127 53.127 53.288 -0.162 19673
1112 1 6 . 1 1 7 7 ASN CB C 7 38.696 38.696 40.416 -1.720 19673
1113 1 6 . 1 1 7 7 ASN H H 7 8.267 8.267 8.394 -0.127 19673
1114 1 6 . 1 1 8 8 LEU N N 8 121.126 121.126 120.397 0.729 19673
1115 1 6 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.982 0.348 19673
1116 1 6 . 1 1 8 8 LEU CA C 8 55.819 55.819 56.255 -0.436 19673
1117 1 6 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.957 0.447 19673
1118 1 6 . 1 1 8 8 LEU H H 8 8.452 8.452 8.524 -0.072 19673
1119 1 6 . 1 1 9 9 ILE N N 9 119.437 119.437 117.051 2.386 19673
1120 1 6 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.152 0.034 19673
1121 1 6 . 1 1 9 9 ILE CA C 9 62.841 62.841 61.742 1.099 19673
1122 1 6 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.175 -2.409 19673
1123 1 6 . 1 1 9 9 ILE H H 9 8.250 8.250 7.655 0.595 19673
1124 1 6 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.000 0.380 19673
1125 1 6 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.209 -3.263 19673
1126 1 6 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.163 1.428 19673
1127 1 6 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.995 -0.159 19673
1128 1 6 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.053 1.937 19673
1129 1 6 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.085 0.051 19673
1130 1 6 . 1 1 12 12 TYR N N 12 117.971 117.971 119.844 -1.873 19673
1131 1 6 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.119 0.311 19673
1132 1 6 . 1 1 12 12 TYR CA C 12 59.774 59.774 60.925 -1.151 19673
1133 1 6 . 1 1 12 12 TYR CB C 12 37.035 37.035 37.829 -0.794 19673
1134 1 6 . 1 1 12 12 TYR H H 12 8.341 8.341 7.943 0.398 19673
1135 1 6 . 1 1 13 13 CYS N N 13 115.494 115.494 117.427 -1.933 19673
1136 1 6 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.227 0.134 19673
1137 1 6 . 1 1 13 13 CYS C C 13 175.298 175.298 177.345 -2.047 19673
1138 1 6 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.215 -3.130 19673
1139 1 6 . 1 1 13 13 CYS CB C 13 41.529 41.529 25.436 16.093 19673
1140 1 6 . 1 1 13 13 CYS H H 13 8.681 8.681 7.111 1.570 19673
1141 1 6 . 1 1 14 14 SER N N 14 116.691 116.691 115.474 1.217 19673
1142 1 6 . 1 1 14 14 SER HA H 14 4.200 4.200 4.179 0.021 19673
1143 1 6 . 1 1 14 14 SER C C 14 174.951 174.951 176.913 -1.962 19673
1144 1 6 . 1 1 14 14 SER CA C 14 62.671 62.671 61.304 1.367 19673
1145 1 6 . 1 1 14 14 SER CB C 14 62.565 62.565 61.101 1.464 19673
1146 1 6 . 1 1 14 14 SER H H 14 7.923 7.923 8.173 -0.250 19673
1147 1 6 . 1 1 15 15 ILE N N 15 120.993 120.993 121.312 -0.319 19673
1148 1 6 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.917 -0.152 19673
1149 1 6 . 1 1 15 15 ILE C C 15 176.935 176.935 178.148 -1.213 19673
1150 1 6 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.067 0.049 19673
1151 1 6 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.889 -0.527 19673
1152 1 6 . 1 1 15 15 ILE H H 15 7.930 7.930 7.775 0.155 19673
1153 1 6 . 1 1 16 16 LEU N N 16 118.319 118.319 123.244 -4.925 19673
1154 1 6 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.919 0.143 19673
1155 1 6 . 1 1 16 16 LEU C C 16 177.684 177.684 178.424 -0.740 19673
1156 1 6 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.509 -0.557 19673
1157 1 6 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.122 -0.570 19673
1158 1 6 . 1 1 16 16 LEU H H 16 8.037 8.037 8.305 -0.268 19673
1159 1 6 . 1 1 17 17 ALA N N 17 118.970 118.970 122.633 -3.663 19673
1160 1 6 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.915 0.100 19673
1161 1 6 . 1 1 17 17 ALA C C 17 177.814 177.814 178.804 -0.990 19673
1162 1 6 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.814 -0.515 19673
1163 1 6 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.752 -1.126 19673
1164 1 6 . 1 1 17 17 ALA H H 17 8.260 8.260 8.271 -0.011 19673
1165 1 6 . 1 1 18 18 ALA N N 18 118.854 118.854 121.294 -2.440 19673
1166 1 6 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.814 0.180 19673
1167 1 6 . 1 1 18 18 ALA C C 18 178.578 178.578 178.889 -0.311 19673
1168 1 6 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.231 0.068 19673
1169 1 6 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.973 -0.311 19673
1170 1 6 . 1 1 18 18 ALA H H 18 8.027 8.027 7.756 0.271 19673
1171 1 6 . 1 1 19 19 VAL N N 19 116.253 116.253 118.138 -1.885 19673
1172 1 6 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.736 -0.090 19673
1173 1 6 . 1 1 19 19 VAL C C 19 176.935 176.935 178.091 -1.156 19673
1174 1 6 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.447 1.057 19673
1175 1 6 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.934 0.085 19673
1176 1 6 . 1 1 19 19 VAL H H 19 8.259 8.259 7.758 0.501 19673
1177 1 6 . 1 1 20 20 VAL N N 20 118.427 118.427 119.034 -0.607 19673
1178 1 6 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.525 0.114 19673
1179 1 6 . 1 1 20 20 VAL C C 20 177.044 177.044 178.257 -1.213 19673
1180 1 6 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.747 0.755 19673
1181 1 6 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.507 -0.606 19673
1182 1 6 . 1 1 20 20 VAL H H 20 8.206 8.206 7.700 0.506 19673
1183 1 6 . 1 1 21 21 VAL N N 21 118.319 118.319 119.451 -1.132 19673
1184 1 6 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.652 -0.076 19673
1185 1 6 . 1 1 21 21 VAL C C 21 177.239 177.239 178.464 -1.225 19673
1186 1 6 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.218 0.889 19673
1187 1 6 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.374 0.324 19673
1188 1 6 . 1 1 21 21 VAL H H 21 8.511 8.511 7.818 0.693 19673
1189 1 6 . 1 1 22 22 GLY N N 22 106.678 106.678 109.359 -2.681 19673
1190 1 6 . 1 1 22 22 GLY C C 22 174.192 174.192 177.283 -3.091 19673
1191 1 6 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.095 -1.766 19673
1192 1 6 . 1 1 22 22 GLY H H 22 8.665 8.665 8.890 -0.225 19673
1193 1 6 . 1 1 23 23 LEU N N 23 121.389 121.389 119.508 1.881 19673
1194 1 6 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.057 0.230 19673
1195 1 6 . 1 1 23 23 LEU C C 23 178.486 178.486 178.357 0.129 19673
1196 1 6 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.924 1.194 19673
1197 1 6 . 1 1 23 23 LEU H H 23 8.604 8.604 8.141 0.463 19673
1198 1 6 . 1 1 24 24 VAL N N 24 118.366 118.366 121.695 -3.329 19673
1199 1 6 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.891 -0.239 19673
1200 1 6 . 1 1 24 24 VAL C C 24 177.109 177.109 178.124 -1.015 19673
1201 1 6 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.624 1.367 19673
1202 1 6 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.450 -0.658 19673
1203 1 6 . 1 1 24 24 VAL H H 24 8.514 8.514 8.311 0.203 19673
1204 1 6 . 1 1 25 25 ALA N N 25 121.150 121.150 121.682 -0.532 19673
1205 1 6 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.866 0.217 19673
1206 1 6 . 1 1 25 25 ALA C C 25 178.345 178.345 179.805 -1.460 19673
1207 1 6 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.184 -0.930 19673
1208 1 6 . 1 1 25 25 ALA CB C 25 17.728 17.728 17.901 -0.173 19673
1209 1 6 . 1 1 25 25 ALA H H 25 8.864 8.864 8.406 0.458 19673
1210 1 6 . 1 1 26 26 TYR N N 26 118.180 118.180 120.185 -2.005 19673
1211 1 6 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.434 -0.144 19673
1212 1 6 . 1 1 26 26 TYR C C 26 176.867 176.867 178.217 -1.350 19673
1213 1 6 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.151 0.828 19673
1214 1 6 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.672 0.854 19673
1215 1 6 . 1 1 26 26 TYR H H 26 8.686 8.686 8.427 0.259 19673
1216 1 6 . 1 1 27 27 ILE N N 27 118.426 118.426 120.802 -2.376 19673
1217 1 6 . 1 1 27 27 ILE HA H 27 3.595 3.595 4.025 -0.430 19673
1218 1 6 . 1 1 27 27 ILE C C 27 177.922 177.922 178.033 -0.111 19673
1219 1 6 . 1 1 27 27 ILE CA C 27 64.740 64.740 63.856 0.884 19673
1220 1 6 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.507 -1.132 19673
1221 1 6 . 1 1 27 27 ILE H H 27 8.537 8.537 8.025 0.512 19673
1222 1 6 . 1 1 28 28 ALA N N 28 121.944 121.944 121.552 0.392 19673
1223 1 6 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.706 0.307 19673
1224 1 6 . 1 1 28 28 ALA C C 28 178.779 178.779 179.080 -0.301 19673
1225 1 6 . 1 1 28 28 ALA CA C 28 55.299 55.299 53.914 1.385 19673
1226 1 6 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.503 -0.528 19673
1227 1 6 . 1 1 28 28 ALA H H 28 8.920 8.920 7.963 0.957 19673
1228 1 6 . 1 1 29 29 PHE N N 29 117.662 117.662 120.711 -3.049 19673
1229 1 6 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.329 0.018 19673
1230 1 6 . 1 1 29 29 PHE C C 29 177.543 177.543 177.521 0.022 19673
1231 1 6 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.196 0.010 19673
1232 1 6 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.252 0.814 19673
1233 1 6 . 1 1 29 29 PHE H H 29 8.868 8.868 8.583 0.285 19673
1234 1 6 . 1 1 30 30 LYS N N 30 118.519 118.519 119.683 -1.164 19673
1235 1 6 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.170 -0.176 19673
1236 1 6 . 1 1 30 30 LYS C C 30 179.148 179.148 178.126 1.022 19673
1237 1 6 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.185 -0.354 19673
1238 1 6 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.597 -1.478 19673
1239 1 6 . 1 1 30 30 LYS H H 30 8.437 8.437 7.947 0.490 19673
1240 1 6 . 1 1 31 31 ARG N N 31 118.783 118.783 118.785 -0.002 19673
1241 1 6 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.643 0.622 19673
1242 1 6 . 1 1 31 31 ARG C C 31 178.041 178.041 178.717 -0.676 19673
1243 1 6 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.183 -1.560 19673
1244 1 6 . 1 1 31 31 ARG CB C 31 29.828 29.828 30.054 -0.226 19673
1245 1 6 . 1 1 31 31 ARG H H 31 8.311 8.311 7.582 0.729 19673
1246 1 6 . 1 1 32 32 TRP N N 32 121.389 121.389 119.264 2.125 19673
1247 1 6 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.262 0.253 19673
1248 1 6 . 1 1 32 32 TRP C C 32 176.935 176.935 178.467 -1.532 19673
1249 1 6 . 1 1 32 32 TRP CA C 32 59.427 59.427 59.775 -0.348 19673
1250 1 6 . 1 1 32 32 TRP CB C 32 28.903 28.903 28.390 0.513 19673
1251 1 6 . 1 1 32 32 TRP H H 32 8.579 8.579 7.370 1.209 19673
1252 1 6 . 1 1 33 33 ASN N N 33 117.319 117.319 116.148 1.171 19673
1253 1 6 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.647 -0.129 19673
1254 1 6 . 1 1 33 33 ASN C C 33 175.770 175.770 176.620 -0.850 19673
1255 1 6 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.607 0.512 19673
1256 1 6 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.548 0.439 19673
1257 1 6 . 1 1 33 33 ASN H H 33 8.313 8.313 7.937 0.376 19673
1258 1 6 . 1 1 34 34 SER N N 34 114.896 114.896 113.693 1.203 19673
1259 1 6 . 1 1 34 34 SER HA H 34 4.481 4.481 4.378 0.103 19673
1260 1 6 . 1 1 34 34 SER C C 34 174.852 174.852 174.678 0.174 19673
1261 1 6 . 1 1 34 34 SER CA C 34 59.319 59.319 58.695 0.624 19673
1262 1 6 . 1 1 34 34 SER CB C 34 63.433 63.433 63.247 0.186 19673
1263 1 6 . 1 1 34 34 SER H H 34 7.952 7.952 7.611 0.341 19673
1264 1 6 . 1 1 35 35 SER N N 35 117.172 117.172 111.616 5.556 19673
1265 1 6 . 1 1 35 35 SER HA H 35 4.518 4.518 4.073 0.445 19673
1266 1 6 . 1 1 35 35 SER C C 35 174.485 174.485 173.574 0.911 19673
1267 1 6 . 1 1 35 35 SER CA C 35 58.833 58.833 59.856 -1.024 19673
1268 1 6 . 1 1 35 35 SER CB C 35 63.445 63.445 61.804 1.641 19673
1269 1 6 . 1 1 35 35 SER H H 35 8.094 8.094 7.465 0.629 19673
1270 1 6 . 1 1 36 36 LYS N N 36 122.146 122.146 122.009 0.137 19673
1271 1 6 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.035 0.339 19673
1272 1 6 . 1 1 36 36 LYS C C 36 176.339 176.339 176.492 -0.153 19673
1273 1 6 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.805 -1.608 19673
1274 1 6 . 1 1 36 36 LYS CB C 36 32.357 32.357 31.833 0.524 19673
1275 1 6 . 1 1 36 36 LYS H H 36 8.011 8.011 7.803 0.208 19673
1276 1 6 . 1 1 37 37 GLN N N 37 120.055 120.055 123.074 -3.019 19673
1277 1 6 . 1 1 37 37 GLN HA H 37 4.418 4.418 3.955 0.463 19673
1278 1 6 . 1 1 37 37 GLN C C 37 175.424 175.424 173.728 1.696 19673
1279 1 6 . 1 1 37 37 GLN CA C 37 55.646 55.646 57.343 -1.697 19673
1280 1 6 . 1 1 37 37 GLN CB C 37 29.129 29.129 28.736 0.393 19673
1281 1 6 . 1 1 37 37 GLN H H 37 8.177 8.177 8.359 -0.182 19673
1282 1 6 . 1 1 38 38 ASN N N 38 119.734 119.734 117.229 2.505 19673
1283 1 6 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.796 0.012 19673
1284 1 6 . 1 1 38 38 ASN C C 38 174.550 174.550 173.665 0.885 19673
1285 1 6 . 1 1 38 38 ASN CA C 38 53.040 53.040 52.738 0.302 19673
1286 1 6 . 1 1 38 38 ASN H H 38 8.379 8.379 8.225 0.154 19673
1287 1 6 . 1 1 39 39 LYS N N 39 121.900 121.900 119.369 2.531 19673
1288 1 6 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.313 0.137 19673
1289 1 6 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.557 -0.426 19673
1290 1 6 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.150 -0.375 19673
1291 1 6 . 1 1 39 39 LYS H H 39 8.220 8.220 8.658 -0.438 19673
1292 1 6 . 1 1 40 40 GLN N N 40 126.738 126.738 118.403 8.335 19673
1293 1 6 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.001 0.286 19673
1294 1 6 . 1 1 40 40 GLN CA C 40 57.168 57.168 57.015 0.153 19673
1295 1 6 . 1 1 40 40 GLN CB C 40 30.260 30.260 28.285 1.974 19673
1296 1 6 . 1 1 40 40 GLN H H 40 8.004 8.004 8.016 -0.012 19673
1297 1 7 . 1 1 2 2 ARG N N 2 122.743 122.743 120.713 2.030 19673
1298 1 7 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.624 -0.112 19673
1299 1 7 . 1 1 2 2 ARG C C 2 176.305 176.305 175.101 1.204 19673
1300 1 7 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.710 0.417 19673
1301 1 7 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.443 -0.727 19673
1302 1 7 . 1 1 2 2 ARG H H 2 8.481 8.481 8.245 0.236 19673
1303 1 7 . 1 1 3 3 GLY N N 3 109.588 109.588 112.242 -2.654 19673
1304 1 7 . 1 1 3 3 GLY C C 3 174.092 174.092 175.411 -1.319 19673
1305 1 7 . 1 1 3 3 GLY CA C 3 45.169 45.169 43.954 1.215 19673
1306 1 7 . 1 1 3 3 GLY H H 3 8.576 8.576 8.351 0.225 19673
1307 1 7 . 1 1 4 4 THR N N 4 113.251 113.251 114.395 -1.144 19673
1308 1 7 . 1 1 4 4 THR HA H 4 4.544 4.544 4.190 0.354 19673
1309 1 7 . 1 1 4 4 THR C C 4 174.864 174.864 173.480 1.384 19673
1310 1 7 . 1 1 4 4 THR CA C 4 61.955 61.955 61.806 0.149 19673
1311 1 7 . 1 1 4 4 THR H H 4 8.155 8.155 8.421 -0.266 19673
1312 1 7 . 1 1 5 5 THR N N 5 114.461 114.461 114.877 -0.416 19673
1313 1 7 . 1 1 5 5 THR HA H 5 4.454 4.454 4.078 0.376 19673
1314 1 7 . 1 1 5 5 THR C C 5 174.181 174.181 174.587 -0.406 19673
1315 1 7 . 1 1 5 5 THR CA C 5 62.062 62.062 62.185 -0.123 19673
1316 1 7 . 1 1 5 5 THR CB C 5 69.306 69.306 68.092 1.214 19673
1317 1 7 . 1 1 5 5 THR H H 5 8.243 8.243 8.331 -0.088 19673
1318 1 7 . 1 1 6 6 ASP N N 6 121.828 121.828 119.405 2.423 19673
1319 1 7 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.459 0.219 19673
1320 1 7 . 1 1 6 6 ASP C C 6 175.797 175.797 176.404 -0.607 19673
1321 1 7 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.206 0.607 19673
1322 1 7 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.739 -0.727 19673
1323 1 7 . 1 1 6 6 ASP H H 6 8.325 8.325 7.834 0.491 19673
1324 1 7 . 1 1 7 7 ASN N N 7 117.808 117.808 119.939 -2.131 19673
1325 1 7 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.513 0.315 19673
1326 1 7 . 1 1 7 7 ASN C C 7 174.864 174.864 174.195 0.669 19673
1327 1 7 . 1 1 7 7 ASN CA C 7 53.127 53.127 53.941 -0.814 19673
1328 1 7 . 1 1 7 7 ASN CB C 7 38.696 38.696 38.008 0.688 19673
1329 1 7 . 1 1 7 7 ASN H H 7 8.267 8.267 8.504 -0.237 19673
1330 1 7 . 1 1 8 8 LEU N N 8 121.126 121.126 120.061 1.065 19673
1331 1 7 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.955 0.375 19673
1332 1 7 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.683 0.136 19673
1333 1 7 . 1 1 8 8 LEU CB C 8 42.404 42.404 42.074 0.330 19673
1334 1 7 . 1 1 8 8 LEU H H 8 8.452 8.452 8.555 -0.103 19673
1335 1 7 . 1 1 9 9 ILE N N 9 119.437 119.437 117.015 2.422 19673
1336 1 7 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.273 -0.087 19673
1337 1 7 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.355 0.486 19673
1338 1 7 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.863 -3.096 19673
1339 1 7 . 1 1 9 9 ILE H H 9 8.250 8.250 7.610 0.640 19673
1340 1 7 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.067 0.313 19673
1341 1 7 . 1 1 10 10 PRO CA C 10 64.946 64.946 69.306 -4.360 19673
1342 1 7 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.534 2.057 19673
1343 1 7 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.976 -0.140 19673
1344 1 7 . 1 1 11 11 VAL CA C 11 65.990 65.990 65.229 0.761 19673
1345 1 7 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.136 0.000 19673
1346 1 7 . 1 1 12 12 TYR N N 12 117.971 117.971 118.280 -0.309 19673
1347 1 7 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.127 0.303 19673
1348 1 7 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.856 -2.082 19673
1349 1 7 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.434 -1.399 19673
1350 1 7 . 1 1 12 12 TYR H H 12 8.341 8.341 8.182 0.159 19673
1351 1 7 . 1 1 13 13 CYS N N 13 115.494 115.494 118.095 -2.601 19673
1352 1 7 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.138 0.223 19673
1353 1 7 . 1 1 13 13 CYS C C 13 175.298 175.298 176.975 -1.677 19673
1354 1 7 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.712 -3.627 19673
1355 1 7 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.802 14.727 19673
1356 1 7 . 1 1 13 13 CYS H H 13 8.681 8.681 7.640 1.041 19673
1357 1 7 . 1 1 14 14 SER N N 14 116.691 116.691 114.734 1.957 19673
1358 1 7 . 1 1 14 14 SER HA H 14 4.200 4.200 4.161 0.039 19673
1359 1 7 . 1 1 14 14 SER C C 14 174.951 174.951 177.002 -2.051 19673
1360 1 7 . 1 1 14 14 SER CA C 14 62.671 62.671 61.629 1.042 19673
1361 1 7 . 1 1 14 14 SER CB C 14 62.565 62.565 60.957 1.608 19673
1362 1 7 . 1 1 14 14 SER H H 14 7.923 7.923 8.235 -0.312 19673
1363 1 7 . 1 1 15 15 ILE N N 15 120.993 120.993 121.738 -0.745 19673
1364 1 7 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.984 -0.219 19673
1365 1 7 . 1 1 15 15 ILE C C 15 176.935 176.935 177.760 -0.825 19673
1366 1 7 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.664 -0.548 19673
1367 1 7 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.972 -0.610 19673
1368 1 7 . 1 1 15 15 ILE H H 15 7.930 7.930 7.787 0.143 19673
1369 1 7 . 1 1 16 16 LEU N N 16 118.319 118.319 122.943 -4.624 19673
1370 1 7 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.864 0.198 19673
1371 1 7 . 1 1 16 16 LEU C C 16 177.684 177.684 178.154 -0.470 19673
1372 1 7 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.688 -0.736 19673
1373 1 7 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.030 -0.478 19673
1374 1 7 . 1 1 16 16 LEU H H 16 8.037 8.037 8.327 -0.290 19673
1375 1 7 . 1 1 17 17 ALA N N 17 118.970 118.970 122.578 -3.608 19673
1376 1 7 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.893 0.122 19673
1377 1 7 . 1 1 17 17 ALA C C 17 177.814 177.814 178.791 -0.977 19673
1378 1 7 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.616 -0.317 19673
1379 1 7 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.777 -1.151 19673
1380 1 7 . 1 1 17 17 ALA H H 17 8.260 8.260 8.249 0.011 19673
1381 1 7 . 1 1 18 18 ALA N N 18 118.854 118.854 120.925 -2.071 19673
1382 1 7 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.816 0.178 19673
1383 1 7 . 1 1 18 18 ALA C C 18 178.578 178.578 179.378 -0.800 19673
1384 1 7 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.193 0.106 19673
1385 1 7 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.776 -0.114 19673
1386 1 7 . 1 1 18 18 ALA H H 18 8.027 8.027 7.822 0.205 19673
1387 1 7 . 1 1 19 19 VAL N N 19 116.253 116.253 118.284 -2.031 19673
1388 1 7 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.769 -0.123 19673
1389 1 7 . 1 1 19 19 VAL C C 19 176.935 176.935 178.009 -1.074 19673
1390 1 7 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.368 1.137 19673
1391 1 7 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.984 0.035 19673
1392 1 7 . 1 1 19 19 VAL H H 19 8.259 8.259 7.717 0.542 19673
1393 1 7 . 1 1 20 20 VAL N N 20 118.427 118.427 118.637 -0.210 19673
1394 1 7 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.539 0.100 19673
1395 1 7 . 1 1 20 20 VAL C C 20 177.044 177.044 178.379 -1.335 19673
1396 1 7 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.458 1.044 19673
1397 1 7 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.481 -0.580 19673
1398 1 7 . 1 1 20 20 VAL H H 20 8.206 8.206 7.661 0.545 19673
1399 1 7 . 1 1 21 21 VAL N N 21 118.319 118.319 119.592 -1.273 19673
1400 1 7 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.702 -0.126 19673
1401 1 7 . 1 1 21 21 VAL C C 21 177.239 177.239 178.000 -0.761 19673
1402 1 7 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.100 1.007 19673
1403 1 7 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.739 -0.041 19673
1404 1 7 . 1 1 21 21 VAL H H 21 8.511 8.511 7.874 0.637 19673
1405 1 7 . 1 1 22 22 GLY N N 22 106.678 106.678 109.117 -2.439 19673
1406 1 7 . 1 1 22 22 GLY C C 22 174.192 174.192 177.164 -2.972 19673
1407 1 7 . 1 1 22 22 GLY CA C 22 47.329 47.329 50.145 -2.816 19673
1408 1 7 . 1 1 22 22 GLY H H 22 8.665 8.665 8.725 -0.060 19673
1409 1 7 . 1 1 23 23 LEU N N 23 121.389 121.389 119.337 2.052 19673
1410 1 7 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.985 0.302 19673
1411 1 7 . 1 1 23 23 LEU C C 23 178.486 178.486 178.132 0.354 19673
1412 1 7 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.915 1.203 19673
1413 1 7 . 1 1 23 23 LEU H H 23 8.604 8.604 7.966 0.638 19673
1414 1 7 . 1 1 24 24 VAL N N 24 118.366 118.366 121.625 -3.259 19673
1415 1 7 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.656 -0.004 19673
1416 1 7 . 1 1 24 24 VAL C C 24 177.109 177.109 178.306 -1.197 19673
1417 1 7 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.138 1.853 19673
1418 1 7 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.616 -0.824 19673
1419 1 7 . 1 1 24 24 VAL H H 24 8.514 8.514 7.660 0.854 19673
1420 1 7 . 1 1 25 25 ALA N N 25 121.150 121.150 121.138 0.012 19673
1421 1 7 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.805 0.278 19673
1422 1 7 . 1 1 25 25 ALA C C 25 178.345 178.345 179.347 -1.002 19673
1423 1 7 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.440 -1.186 19673
1424 1 7 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.147 -0.419 19673
1425 1 7 . 1 1 25 25 ALA H H 25 8.864 8.864 8.301 0.563 19673
1426 1 7 . 1 1 26 26 TYR N N 26 118.180 118.180 120.151 -1.971 19673
1427 1 7 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.372 -0.082 19673
1428 1 7 . 1 1 26 26 TYR C C 26 176.867 176.867 177.973 -1.106 19673
1429 1 7 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.998 0.981 19673
1430 1 7 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.618 0.908 19673
1431 1 7 . 1 1 26 26 TYR H H 26 8.686 8.686 8.001 0.685 19673
1432 1 7 . 1 1 27 27 ILE N N 27 118.426 118.426 120.258 -1.832 19673
1433 1 7 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.896 -0.301 19673
1434 1 7 . 1 1 27 27 ILE C C 27 177.922 177.922 177.900 0.022 19673
1435 1 7 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.540 0.200 19673
1436 1 7 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.406 -1.031 19673
1437 1 7 . 1 1 27 27 ILE H H 27 8.537 8.537 8.078 0.459 19673
1438 1 7 . 1 1 28 28 ALA N N 28 121.944 121.944 121.936 0.008 19673
1439 1 7 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.757 0.256 19673
1440 1 7 . 1 1 28 28 ALA C C 28 178.779 178.779 178.899 -0.120 19673
1441 1 7 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.218 0.081 19673
1442 1 7 . 1 1 28 28 ALA CB C 28 17.974 17.974 19.026 -1.052 19673
1443 1 7 . 1 1 28 28 ALA H H 28 8.920 8.920 8.050 0.870 19673
1444 1 7 . 1 1 29 29 PHE N N 29 117.662 117.662 120.069 -2.407 19673
1445 1 7 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.176 0.171 19673
1446 1 7 . 1 1 29 29 PHE C C 29 177.543 177.543 177.526 0.017 19673
1447 1 7 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.203 0.003 19673
1448 1 7 . 1 1 29 29 PHE CB C 29 39.066 39.066 37.904 1.162 19673
1449 1 7 . 1 1 29 29 PHE H H 29 8.868 8.868 8.301 0.567 19673
1450 1 7 . 1 1 30 30 LYS N N 30 118.519 118.519 118.905 -0.386 19673
1451 1 7 . 1 1 30 30 LYS HA H 30 3.994 3.994 3.795 0.199 19673
1452 1 7 . 1 1 30 30 LYS C C 30 179.148 179.148 178.892 0.256 19673
1453 1 7 . 1 1 30 30 LYS CA C 30 57.831 57.831 59.863 -2.032 19673
1454 1 7 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.533 -1.414 19673
1455 1 7 . 1 1 30 30 LYS H H 30 8.437 8.437 7.668 0.769 19673
1456 1 7 . 1 1 31 31 ARG N N 31 118.783 118.783 119.307 -0.524 19673
1457 1 7 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.881 0.384 19673
1458 1 7 . 1 1 31 31 ARG C C 31 178.041 178.041 178.432 -0.391 19673
1459 1 7 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.318 -1.695 19673
1460 1 7 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.837 -0.009 19673
1461 1 7 . 1 1 31 31 ARG H H 31 8.311 8.311 7.718 0.593 19673
1462 1 7 . 1 1 32 32 TRP N N 32 121.389 121.389 119.560 1.829 19673
1463 1 7 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.405 0.110 19673
1464 1 7 . 1 1 32 32 TRP C C 32 176.935 176.935 178.580 -1.645 19673
1465 1 7 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.708 -1.281 19673
1466 1 7 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.570 -0.667 19673
1467 1 7 . 1 1 32 32 TRP H H 32 8.579 8.579 8.095 0.484 19673
1468 1 7 . 1 1 33 33 ASN N N 33 117.319 117.319 113.848 3.471 19673
1469 1 7 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.563 -0.045 19673
1470 1 7 . 1 1 33 33 ASN C C 33 175.770 175.770 175.439 0.331 19673
1471 1 7 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.037 0.082 19673
1472 1 7 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.648 0.339 19673
1473 1 7 . 1 1 33 33 ASN H H 33 8.313 8.313 8.219 0.094 19673
1474 1 7 . 1 1 34 34 SER N N 34 114.896 114.896 112.970 1.926 19673
1475 1 7 . 1 1 34 34 SER HA H 34 4.481 4.481 4.295 0.186 19673
1476 1 7 . 1 1 34 34 SER C C 34 174.852 174.852 175.966 -1.114 19673
1477 1 7 . 1 1 34 34 SER CA C 34 59.319 59.319 59.992 -0.673 19673
1478 1 7 . 1 1 34 34 SER CB C 34 63.433 63.433 64.529 -1.096 19673
1479 1 7 . 1 1 34 34 SER H H 34 7.952 7.952 7.598 0.354 19673
1480 1 7 . 1 1 35 35 SER N N 35 117.172 117.172 114.601 2.571 19673
1481 1 7 . 1 1 35 35 SER HA H 35 4.518 4.518 4.281 0.237 19673
1482 1 7 . 1 1 35 35 SER C C 35 174.485 174.485 174.476 0.009 19673
1483 1 7 . 1 1 35 35 SER CA C 35 58.833 58.833 60.677 -1.844 19673
1484 1 7 . 1 1 35 35 SER CB C 35 63.445 63.445 63.680 -0.235 19673
1485 1 7 . 1 1 35 35 SER H H 35 8.094 8.094 8.145 -0.051 19673
1486 1 7 . 1 1 36 36 LYS N N 36 122.146 122.146 121.984 0.162 19673
1487 1 7 . 1 1 36 36 LYS HA H 36 4.374 4.374 3.968 0.406 19673
1488 1 7 . 1 1 36 36 LYS C C 36 176.339 176.339 175.507 0.832 19673
1489 1 7 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.914 -1.718 19673
1490 1 7 . 1 1 36 36 LYS CB C 36 32.357 32.357 31.802 0.555 19673
1491 1 7 . 1 1 36 36 LYS H H 36 8.011 8.011 7.578 0.433 19673
1492 1 7 . 1 1 37 37 GLN N N 37 120.055 120.055 123.528 -3.473 19673
1493 1 7 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.466 -0.048 19673
1494 1 7 . 1 1 37 37 GLN C C 37 175.424 175.424 175.124 0.300 19673
1495 1 7 . 1 1 37 37 GLN CA C 37 55.646 55.646 54.974 0.672 19673
1496 1 7 . 1 1 37 37 GLN CB C 37 29.129 29.129 30.223 -1.094 19673
1497 1 7 . 1 1 37 37 GLN H H 37 8.177 8.177 8.152 0.025 19673
1498 1 7 . 1 1 38 38 ASN N N 38 119.734 119.734 119.669 0.065 19673
1499 1 7 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.320 0.488 19673
1500 1 7 . 1 1 38 38 ASN C C 38 174.550 174.550 173.352 1.198 19673
1501 1 7 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.891 -0.851 19673
1502 1 7 . 1 1 38 38 ASN H H 38 8.379 8.379 8.820 -0.441 19673
1503 1 7 . 1 1 39 39 LYS N N 39 121.900 121.900 121.694 0.206 19673
1504 1 7 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.389 0.061 19673
1505 1 7 . 1 1 39 39 LYS CA C 39 56.131 56.131 55.816 0.315 19673
1506 1 7 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.892 -1.117 19673
1507 1 7 . 1 1 39 39 LYS H H 39 8.220 8.220 8.106 0.114 19673
1508 1 7 . 1 1 40 40 GLN N N 40 126.738 126.738 120.322 6.416 19673
1509 1 7 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.309 -0.022 19673
1510 1 7 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.886 1.282 19673
1511 1 7 . 1 1 40 40 GLN CB C 40 30.260 30.260 29.135 1.125 19673
1512 1 7 . 1 1 40 40 GLN H H 40 8.004 8.004 8.107 -0.103 19673
1513 1 8 . 1 1 2 2 ARG N N 2 122.743 122.743 119.566 3.177 19673
1514 1 8 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.816 -0.304 19673
1515 1 8 . 1 1 2 2 ARG C C 2 176.305 176.305 175.389 0.916 19673
1516 1 8 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.506 0.621 19673
1517 1 8 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.437 -0.721 19673
1518 1 8 . 1 1 2 2 ARG H H 2 8.481 8.481 8.131 0.350 19673
1519 1 8 . 1 1 3 3 GLY N N 3 109.588 109.588 111.870 -2.282 19673
1520 1 8 . 1 1 3 3 GLY C C 3 174.092 174.092 174.394 -0.302 19673
1521 1 8 . 1 1 3 3 GLY CA C 3 45.169 45.169 44.109 1.060 19673
1522 1 8 . 1 1 3 3 GLY H H 3 8.576 8.576 8.604 -0.028 19673
1523 1 8 . 1 1 4 4 THR N N 4 113.251 113.251 114.272 -1.021 19673
1524 1 8 . 1 1 4 4 THR HA H 4 4.544 4.544 4.284 0.260 19673
1525 1 8 . 1 1 4 4 THR C C 4 174.864 174.864 174.274 0.590 19673
1526 1 8 . 1 1 4 4 THR CA C 4 61.955 61.955 61.675 0.280 19673
1527 1 8 . 1 1 4 4 THR H H 4 8.155 8.155 8.141 0.014 19673
1528 1 8 . 1 1 5 5 THR N N 5 114.461 114.461 114.760 -0.299 19673
1529 1 8 . 1 1 5 5 THR HA H 5 4.454 4.454 4.103 0.351 19673
1530 1 8 . 1 1 5 5 THR C C 5 174.181 174.181 173.972 0.209 19673
1531 1 8 . 1 1 5 5 THR CA C 5 62.062 62.062 62.299 -0.237 19673
1532 1 8 . 1 1 5 5 THR CB C 5 69.306 69.306 69.618 -0.312 19673
1533 1 8 . 1 1 5 5 THR H H 5 8.243 8.243 8.292 -0.049 19673
1534 1 8 . 1 1 6 6 ASP N N 6 121.828 121.828 118.735 3.093 19673
1535 1 8 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.648 0.030 19673
1536 1 8 . 1 1 6 6 ASP C C 6 175.797 175.797 174.700 1.097 19673
1537 1 8 . 1 1 6 6 ASP CA C 6 54.813 54.813 52.455 2.358 19673
1538 1 8 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.961 -0.949 19673
1539 1 8 . 1 1 6 6 ASP H H 6 8.325 8.325 8.121 0.204 19673
1540 1 8 . 1 1 7 7 ASN N N 7 117.808 117.808 119.106 -1.298 19673
1541 1 8 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.300 0.528 19673
1542 1 8 . 1 1 7 7 ASN C C 7 174.864 174.864 174.625 0.239 19673
1543 1 8 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.689 -1.562 19673
1544 1 8 . 1 1 7 7 ASN CB C 7 38.696 38.696 37.632 1.064 19673
1545 1 8 . 1 1 7 7 ASN H H 7 8.267 8.267 8.539 -0.272 19673
1546 1 8 . 1 1 8 8 LEU N N 8 121.126 121.126 118.874 2.252 19673
1547 1 8 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.944 0.386 19673
1548 1 8 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.965 -0.146 19673
1549 1 8 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.992 0.412 19673
1550 1 8 . 1 1 8 8 LEU H H 8 8.452 8.452 8.645 -0.193 19673
1551 1 8 . 1 1 9 9 ILE N N 9 119.437 119.437 116.733 2.704 19673
1552 1 8 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.115 0.071 19673
1553 1 8 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.479 0.362 19673
1554 1 8 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.228 -2.461 19673
1555 1 8 . 1 1 9 9 ILE H H 9 8.250 8.250 7.414 0.836 19673
1556 1 8 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.033 0.347 19673
1557 1 8 . 1 1 10 10 PRO CA C 10 64.946 64.946 67.186 -2.240 19673
1558 1 8 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.540 2.051 19673
1559 1 8 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.955 -0.119 19673
1560 1 8 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.211 1.779 19673
1561 1 8 . 1 1 11 11 VAL CB C 11 31.136 31.136 30.842 0.294 19673
1562 1 8 . 1 1 12 12 TYR N N 12 117.971 117.971 118.363 -0.392 19673
1563 1 8 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.002 0.428 19673
1564 1 8 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.305 -1.531 19673
1565 1 8 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.293 -1.258 19673
1566 1 8 . 1 1 12 12 TYR H H 12 8.341 8.341 7.541 0.800 19673
1567 1 8 . 1 1 13 13 CYS N N 13 115.494 115.494 117.026 -1.532 19673
1568 1 8 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.187 0.174 19673
1569 1 8 . 1 1 13 13 CYS C C 13 175.298 175.298 177.278 -1.980 19673
1570 1 8 . 1 1 13 13 CYS CA C 13 59.085 59.085 61.837 -2.752 19673
1571 1 8 . 1 1 13 13 CYS CB C 13 41.529 41.529 25.640 15.889 19673
1572 1 8 . 1 1 13 13 CYS H H 13 8.681 8.681 7.098 1.583 19673
1573 1 8 . 1 1 14 14 SER N N 14 116.691 116.691 115.287 1.404 19673
1574 1 8 . 1 1 14 14 SER HA H 14 4.200 4.200 4.157 0.043 19673
1575 1 8 . 1 1 14 14 SER C C 14 174.951 174.951 177.007 -2.056 19673
1576 1 8 . 1 1 14 14 SER CA C 14 62.671 62.671 61.370 1.301 19673
1577 1 8 . 1 1 14 14 SER CB C 14 62.565 62.565 60.937 1.628 19673
1578 1 8 . 1 1 14 14 SER H H 14 7.923 7.923 8.171 -0.248 19673
1579 1 8 . 1 1 15 15 ILE N N 15 120.993 120.993 121.764 -0.771 19673
1580 1 8 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.951 -0.186 19673
1581 1 8 . 1 1 15 15 ILE C C 15 176.935 176.935 177.761 -0.826 19673
1582 1 8 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.791 -0.675 19673
1583 1 8 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.964 -0.602 19673
1584 1 8 . 1 1 15 15 ILE H H 15 7.930 7.930 7.976 -0.046 19673
1585 1 8 . 1 1 16 16 LEU N N 16 118.319 118.319 122.878 -4.559 19673
1586 1 8 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.902 0.160 19673
1587 1 8 . 1 1 16 16 LEU C C 16 177.684 177.684 178.214 -0.530 19673
1588 1 8 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.616 -0.664 19673
1589 1 8 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.054 -0.502 19673
1590 1 8 . 1 1 16 16 LEU H H 16 8.037 8.037 8.123 -0.086 19673
1591 1 8 . 1 1 17 17 ALA N N 17 118.970 118.970 122.709 -3.739 19673
1592 1 8 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.940 0.075 19673
1593 1 8 . 1 1 17 17 ALA C C 17 177.814 177.814 178.764 -0.950 19673
1594 1 8 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.659 -0.360 19673
1595 1 8 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.824 -1.198 19673
1596 1 8 . 1 1 17 17 ALA H H 17 8.260 8.260 8.322 -0.062 19673
1597 1 8 . 1 1 18 18 ALA N N 18 118.854 118.854 121.556 -2.702 19673
1598 1 8 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.822 0.172 19673
1599 1 8 . 1 1 18 18 ALA C C 18 178.578 178.578 178.924 -0.346 19673
1600 1 8 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.217 0.082 19673
1601 1 8 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.993 -0.331 19673
1602 1 8 . 1 1 18 18 ALA H H 18 8.027 8.027 7.858 0.169 19673
1603 1 8 . 1 1 19 19 VAL N N 19 116.253 116.253 118.040 -1.787 19673
1604 1 8 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.744 -0.098 19673
1605 1 8 . 1 1 19 19 VAL C C 19 176.935 176.935 178.125 -1.190 19673
1606 1 8 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.451 1.053 19673
1607 1 8 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.888 0.131 19673
1608 1 8 . 1 1 19 19 VAL H H 19 8.259 8.259 7.762 0.497 19673
1609 1 8 . 1 1 20 20 VAL N N 20 118.427 118.427 118.858 -0.431 19673
1610 1 8 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.493 0.146 19673
1611 1 8 . 1 1 20 20 VAL C C 20 177.044 177.044 178.262 -1.218 19673
1612 1 8 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.438 1.064 19673
1613 1 8 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.650 -0.749 19673
1614 1 8 . 1 1 20 20 VAL H H 20 8.206 8.206 7.642 0.564 19673
1615 1 8 . 1 1 21 21 VAL N N 21 118.319 118.319 119.338 -1.019 19673
1616 1 8 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.613 -0.037 19673
1617 1 8 . 1 1 21 21 VAL C C 21 177.239 177.239 177.965 -0.726 19673
1618 1 8 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.838 0.269 19673
1619 1 8 . 1 1 21 21 VAL CB C 21 30.698 30.698 31.056 -0.358 19673
1620 1 8 . 1 1 21 21 VAL H H 21 8.511 8.511 7.936 0.575 19673
1621 1 8 . 1 1 22 22 GLY N N 22 106.678 106.678 108.412 -1.734 19673
1622 1 8 . 1 1 22 22 GLY C C 22 174.192 174.192 177.264 -3.072 19673
1623 1 8 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.665 -2.336 19673
1624 1 8 . 1 1 22 22 GLY H H 22 8.665 8.665 8.672 -0.007 19673
1625 1 8 . 1 1 23 23 LEU N N 23 121.389 121.389 119.513 1.876 19673
1626 1 8 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.048 0.239 19673
1627 1 8 . 1 1 23 23 LEU C C 23 178.486 178.486 178.674 -0.188 19673
1628 1 8 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.981 1.137 19673
1629 1 8 . 1 1 23 23 LEU H H 23 8.604 8.604 8.222 0.382 19673
1630 1 8 . 1 1 24 24 VAL N N 24 118.366 118.366 121.981 -3.615 19673
1631 1 8 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.906 -0.254 19673
1632 1 8 . 1 1 24 24 VAL C C 24 177.109 177.109 178.362 -1.253 19673
1633 1 8 . 1 1 24 24 VAL CA C 24 66.991 66.991 64.925 2.066 19673
1634 1 8 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.120 -0.328 19673
1635 1 8 . 1 1 24 24 VAL H H 24 8.514 8.514 7.720 0.794 19673
1636 1 8 . 1 1 25 25 ALA N N 25 121.150 121.150 121.523 -0.373 19673
1637 1 8 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.825 0.258 19673
1638 1 8 . 1 1 25 25 ALA C C 25 178.345 178.345 179.486 -1.141 19673
1639 1 8 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.815 -1.561 19673
1640 1 8 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.613 -0.885 19673
1641 1 8 . 1 1 25 25 ALA H H 25 8.864 8.864 8.020 0.844 19673
1642 1 8 . 1 1 26 26 TYR N N 26 118.180 118.180 119.516 -1.336 19673
1643 1 8 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.457 -0.167 19673
1644 1 8 . 1 1 26 26 TYR C C 26 176.867 176.867 177.877 -1.010 19673
1645 1 8 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.913 1.066 19673
1646 1 8 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.765 0.761 19673
1647 1 8 . 1 1 26 26 TYR H H 26 8.686 8.686 8.023 0.663 19673
1648 1 8 . 1 1 27 27 ILE N N 27 118.426 118.426 120.868 -2.442 19673
1649 1 8 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.972 -0.377 19673
1650 1 8 . 1 1 27 27 ILE C C 27 177.922 177.922 177.851 0.071 19673
1651 1 8 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.903 -0.163 19673
1652 1 8 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.608 -1.233 19673
1653 1 8 . 1 1 27 27 ILE H H 27 8.537 8.537 7.815 0.722 19673
1654 1 8 . 1 1 28 28 ALA N N 28 121.944 121.944 121.667 0.277 19673
1655 1 8 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.649 0.364 19673
1656 1 8 . 1 1 28 28 ALA C C 28 178.779 178.779 179.060 -0.281 19673
1657 1 8 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.715 -0.416 19673
1658 1 8 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.923 -0.949 19673
1659 1 8 . 1 1 28 28 ALA H H 28 8.920 8.920 8.099 0.821 19673
1660 1 8 . 1 1 29 29 PHE N N 29 117.662 117.662 120.052 -2.390 19673
1661 1 8 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.268 0.079 19673
1662 1 8 . 1 1 29 29 PHE C C 29 177.543 177.543 177.672 -0.129 19673
1663 1 8 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.426 -0.220 19673
1664 1 8 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.192 0.874 19673
1665 1 8 . 1 1 29 29 PHE H H 29 8.868 8.868 8.284 0.584 19673
1666 1 8 . 1 1 30 30 LYS N N 30 118.519 118.519 119.109 -0.590 19673
1667 1 8 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.138 -0.144 19673
1668 1 8 . 1 1 30 30 LYS C C 30 179.148 179.148 178.231 0.917 19673
1669 1 8 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.540 -0.709 19673
1670 1 8 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.598 -1.479 19673
1671 1 8 . 1 1 30 30 LYS H H 30 8.437 8.437 7.844 0.593 19673
1672 1 8 . 1 1 31 31 ARG N N 31 118.783 118.783 118.758 0.025 19673
1673 1 8 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.763 0.502 19673
1674 1 8 . 1 1 31 31 ARG C C 31 178.041 178.041 178.586 -0.545 19673
1675 1 8 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.143 -0.520 19673
1676 1 8 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.599 0.229 19673
1677 1 8 . 1 1 31 31 ARG H H 31 8.311 8.311 7.386 0.925 19673
1678 1 8 . 1 1 32 32 TRP N N 32 121.389 121.389 120.664 0.725 19673
1679 1 8 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.262 0.253 19673
1680 1 8 . 1 1 32 32 TRP C C 32 176.935 176.935 178.252 -1.317 19673
1681 1 8 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.155 -0.728 19673
1682 1 8 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.311 -0.408 19673
1683 1 8 . 1 1 32 32 TRP H H 32 8.579 8.579 8.024 0.555 19673
1684 1 8 . 1 1 33 33 ASN N N 33 117.319 117.319 113.705 3.614 19673
1685 1 8 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.813 -0.295 19673
1686 1 8 . 1 1 33 33 ASN C C 33 175.770 175.770 176.103 -0.333 19673
1687 1 8 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.989 0.130 19673
1688 1 8 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.598 0.389 19673
1689 1 8 . 1 1 33 33 ASN H H 33 8.313 8.313 8.131 0.182 19673
1690 1 8 . 1 1 34 34 SER N N 34 114.896 114.896 114.318 0.578 19673
1691 1 8 . 1 1 34 34 SER HA H 34 4.481 4.481 4.089 0.392 19673
1692 1 8 . 1 1 34 34 SER C C 34 174.852 174.852 175.462 -0.610 19673
1693 1 8 . 1 1 34 34 SER CA C 34 59.319 59.319 60.633 -1.314 19673
1694 1 8 . 1 1 34 34 SER CB C 34 63.433 63.433 63.286 0.147 19673
1695 1 8 . 1 1 34 34 SER H H 34 7.952 7.952 7.443 0.509 19673
1696 1 8 . 1 1 35 35 SER N N 35 117.172 117.172 112.369 4.803 19673
1697 1 8 . 1 1 35 35 SER HA H 35 4.518 4.518 4.421 0.097 19673
1698 1 8 . 1 1 35 35 SER C C 35 174.485 174.485 174.484 0.001 19673
1699 1 8 . 1 1 35 35 SER CA C 35 58.833 58.833 58.219 0.614 19673
1700 1 8 . 1 1 35 35 SER CB C 35 63.445 63.445 63.626 -0.181 19673
1701 1 8 . 1 1 35 35 SER H H 35 8.094 8.094 7.609 0.485 19673
1702 1 8 . 1 1 36 36 LYS N N 36 122.146 122.146 123.807 -1.661 19673
1703 1 8 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.040 0.334 19673
1704 1 8 . 1 1 36 36 LYS C C 36 176.339 176.339 175.182 1.157 19673
1705 1 8 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.385 -1.188 19673
1706 1 8 . 1 1 36 36 LYS CB C 36 32.357 32.357 33.045 -0.688 19673
1707 1 8 . 1 1 36 36 LYS H H 36 8.011 8.011 7.839 0.172 19673
1708 1 8 . 1 1 37 37 GLN N N 37 120.055 120.055 121.435 -1.380 19673
1709 1 8 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.496 -0.078 19673
1710 1 8 . 1 1 37 37 GLN C C 37 175.424 175.424 175.802 -0.378 19673
1711 1 8 . 1 1 37 37 GLN CA C 37 55.646 55.646 55.159 0.487 19673
1712 1 8 . 1 1 37 37 GLN CB C 37 29.129 29.129 28.710 0.418 19673
1713 1 8 . 1 1 37 37 GLN H H 37 8.177 8.177 8.385 -0.208 19673
1714 1 8 . 1 1 38 38 ASN N N 38 119.734 119.734 120.610 -0.876 19673
1715 1 8 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.418 0.390 19673
1716 1 8 . 1 1 38 38 ASN C C 38 174.550 174.550 175.141 -0.591 19673
1717 1 8 . 1 1 38 38 ASN CA C 38 53.040 53.040 54.675 -1.635 19673
1718 1 8 . 1 1 38 38 ASN H H 38 8.379 8.379 8.734 -0.355 19673
1719 1 8 . 1 1 39 39 LYS N N 39 121.900 121.900 117.274 4.626 19673
1720 1 8 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.166 0.284 19673
1721 1 8 . 1 1 39 39 LYS CA C 39 56.131 56.131 57.002 -0.871 19673
1722 1 8 . 1 1 39 39 LYS CB C 39 32.775 32.775 32.506 0.269 19673
1723 1 8 . 1 1 39 39 LYS H H 39 8.220 8.220 8.168 0.052 19673
1724 1 8 . 1 1 40 40 GLN N N 40 126.738 126.738 121.462 5.276 19673
1725 1 8 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.499 -0.212 19673
1726 1 8 . 1 1 40 40 GLN CA C 40 57.168 57.168 54.651 2.517 19673
1727 1 8 . 1 1 40 40 GLN CB C 40 30.260 30.260 30.547 -0.286 19673
1728 1 8 . 1 1 40 40 GLN H H 40 8.004 8.004 7.944 0.060 19673
1729 1 9 . 1 1 2 2 ARG N N 2 122.743 122.743 120.546 2.197 19673
1730 1 9 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.827 -0.315 19673
1731 1 9 . 1 1 2 2 ARG C C 2 176.305 176.305 176.060 0.245 19673
1732 1 9 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.419 0.708 19673
1733 1 9 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.598 -0.882 19673
1734 1 9 . 1 1 2 2 ARG H H 2 8.481 8.481 7.995 0.486 19673
1735 1 9 . 1 1 3 3 GLY N N 3 109.588 109.588 108.052 1.536 19673
1736 1 9 . 1 1 3 3 GLY C C 3 174.092 174.092 175.290 -1.198 19673
1737 1 9 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.973 -0.804 19673
1738 1 9 . 1 1 3 3 GLY H H 3 8.576 8.576 8.471 0.105 19673
1739 1 9 . 1 1 4 4 THR N N 4 113.251 113.251 112.557 0.694 19673
1740 1 9 . 1 1 4 4 THR HA H 4 4.544 4.544 4.226 0.318 19673
1741 1 9 . 1 1 4 4 THR C C 4 174.864 174.864 173.331 1.533 19673
1742 1 9 . 1 1 4 4 THR CA C 4 61.955 61.955 61.434 0.522 19673
1743 1 9 . 1 1 4 4 THR H H 4 8.155 8.155 8.082 0.073 19673
1744 1 9 . 1 1 5 5 THR N N 5 114.461 114.461 113.386 1.075 19673
1745 1 9 . 1 1 5 5 THR HA H 5 4.454 4.454 4.069 0.385 19673
1746 1 9 . 1 1 5 5 THR C C 5 174.181 174.181 174.036 0.145 19673
1747 1 9 . 1 1 5 5 THR CA C 5 62.062 62.062 63.340 -1.278 19673
1748 1 9 . 1 1 5 5 THR CB C 5 69.306 69.306 68.228 1.078 19673
1749 1 9 . 1 1 5 5 THR H H 5 8.243 8.243 8.080 0.163 19673
1750 1 9 . 1 1 6 6 ASP N N 6 121.828 121.828 122.056 -0.228 19673
1751 1 9 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.672 0.006 19673
1752 1 9 . 1 1 6 6 ASP C C 6 175.797 175.797 175.358 0.439 19673
1753 1 9 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.631 0.182 19673
1754 1 9 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.632 -0.620 19673
1755 1 9 . 1 1 6 6 ASP H H 6 8.325 8.325 7.993 0.332 19673
1756 1 9 . 1 1 7 7 ASN N N 7 117.808 117.808 119.455 -1.647 19673
1757 1 9 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.486 0.342 19673
1758 1 9 . 1 1 7 7 ASN C C 7 174.864 174.864 174.583 0.281 19673
1759 1 9 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.498 -1.371 19673
1760 1 9 . 1 1 7 7 ASN CB C 7 38.696 38.696 37.734 0.962 19673
1761 1 9 . 1 1 7 7 ASN H H 7 8.267 8.267 8.703 -0.436 19673
1762 1 9 . 1 1 8 8 LEU N N 8 121.126 121.126 117.340 3.786 19673
1763 1 9 . 1 1 8 8 LEU HA H 8 4.330 4.330 4.386 -0.056 19673
1764 1 9 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.709 0.110 19673
1765 1 9 . 1 1 8 8 LEU CB C 8 42.404 42.404 43.527 -1.123 19673
1766 1 9 . 1 1 8 8 LEU H H 8 8.452 8.452 8.172 0.280 19673
1767 1 9 . 1 1 9 9 ILE N N 9 119.437 119.437 118.404 1.033 19673
1768 1 9 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.385 -0.199 19673
1769 1 9 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.915 -0.074 19673
1770 1 9 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.836 -3.068 19673
1771 1 9 . 1 1 9 9 ILE H H 9 8.250 8.250 7.830 0.420 19673
1772 1 9 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.105 0.275 19673
1773 1 9 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.990 -4.043 19673
1774 1 9 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.870 1.721 19673
1775 1 9 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.992 -0.156 19673
1776 1 9 . 1 1 11 11 VAL CA C 11 65.990 65.990 65.035 0.955 19673
1777 1 9 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.099 0.037 19673
1778 1 9 . 1 1 12 12 TYR N N 12 117.971 117.971 117.544 0.427 19673
1779 1 9 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.175 0.255 19673
1780 1 9 . 1 1 12 12 TYR CA C 12 59.774 59.774 60.974 -1.200 19673
1781 1 9 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.186 -1.151 19673
1782 1 9 . 1 1 12 12 TYR H H 12 8.341 8.341 8.409 -0.068 19673
1783 1 9 . 1 1 13 13 CYS N N 13 115.494 115.494 118.903 -3.409 19673
1784 1 9 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.214 0.147 19673
1785 1 9 . 1 1 13 13 CYS C C 13 175.298 175.298 177.173 -1.875 19673
1786 1 9 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.921 -3.836 19673
1787 1 9 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.654 14.876 19673
1788 1 9 . 1 1 13 13 CYS H H 13 8.681 8.681 7.580 1.101 19673
1789 1 9 . 1 1 14 14 SER N N 14 116.691 116.691 115.015 1.676 19673
1790 1 9 . 1 1 14 14 SER HA H 14 4.200 4.200 4.222 -0.022 19673
1791 1 9 . 1 1 14 14 SER C C 14 174.951 174.951 177.265 -2.314 19673
1792 1 9 . 1 1 14 14 SER CA C 14 62.671 62.671 61.146 1.525 19673
1793 1 9 . 1 1 14 14 SER CB C 14 62.565 62.565 61.219 1.346 19673
1794 1 9 . 1 1 14 14 SER H H 14 7.923 7.923 8.274 -0.351 19673
1795 1 9 . 1 1 15 15 ILE N N 15 120.993 120.993 121.873 -0.880 19673
1796 1 9 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.965 -0.200 19673
1797 1 9 . 1 1 15 15 ILE C C 15 176.935 176.935 178.035 -1.100 19673
1798 1 9 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.746 -0.630 19673
1799 1 9 . 1 1 15 15 ILE CB C 15 37.362 37.362 38.039 -0.678 19673
1800 1 9 . 1 1 15 15 ILE H H 15 7.930 7.930 7.758 0.172 19673
1801 1 9 . 1 1 16 16 LEU N N 16 118.319 118.319 123.168 -4.849 19673
1802 1 9 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.910 0.152 19673
1803 1 9 . 1 1 16 16 LEU C C 16 177.684 177.684 178.323 -0.639 19673
1804 1 9 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.496 -0.544 19673
1805 1 9 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.056 -0.504 19673
1806 1 9 . 1 1 16 16 LEU H H 16 8.037 8.037 8.103 -0.066 19673
1807 1 9 . 1 1 17 17 ALA N N 17 118.970 118.970 122.370 -3.400 19673
1808 1 9 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.878 0.137 19673
1809 1 9 . 1 1 17 17 ALA C C 17 177.814 177.814 178.800 -0.986 19673
1810 1 9 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.632 -0.333 19673
1811 1 9 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.758 -1.131 19673
1812 1 9 . 1 1 17 17 ALA H H 17 8.260 8.260 8.219 0.041 19673
1813 1 9 . 1 1 18 18 ALA N N 18 118.854 118.854 120.921 -2.067 19673
1814 1 9 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.824 0.170 19673
1815 1 9 . 1 1 18 18 ALA C C 18 178.578 178.578 179.398 -0.820 19673
1816 1 9 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.189 0.110 19673
1817 1 9 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.781 -0.119 19673
1818 1 9 . 1 1 18 18 ALA H H 18 8.027 8.027 7.661 0.366 19673
1819 1 9 . 1 1 19 19 VAL N N 19 116.253 116.253 118.330 -2.077 19673
1820 1 9 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.780 -0.134 19673
1821 1 9 . 1 1 19 19 VAL C C 19 176.935 176.935 178.067 -1.132 19673
1822 1 9 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.451 1.053 19673
1823 1 9 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.992 0.027 19673
1824 1 9 . 1 1 19 19 VAL H H 19 8.259 8.259 7.741 0.518 19673
1825 1 9 . 1 1 20 20 VAL N N 20 118.427 118.427 118.376 0.051 19673
1826 1 9 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.632 0.007 19673
1827 1 9 . 1 1 20 20 VAL C C 20 177.044 177.044 178.404 -1.360 19673
1828 1 9 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.344 1.158 19673
1829 1 9 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.118 -0.217 19673
1830 1 9 . 1 1 20 20 VAL H H 20 8.206 8.206 7.716 0.490 19673
1831 1 9 . 1 1 21 21 VAL N N 21 118.319 118.319 119.634 -1.315 19673
1832 1 9 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.720 -0.144 19673
1833 1 9 . 1 1 21 21 VAL C C 21 177.239 177.239 178.190 -0.951 19673
1834 1 9 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.127 0.980 19673
1835 1 9 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.813 -0.115 19673
1836 1 9 . 1 1 21 21 VAL H H 21 8.511 8.511 7.780 0.731 19673
1837 1 9 . 1 1 22 22 GLY N N 22 106.678 106.678 109.766 -3.088 19673
1838 1 9 . 1 1 22 22 GLY C C 22 174.192 174.192 177.216 -3.024 19673
1839 1 9 . 1 1 22 22 GLY CA C 22 47.329 47.329 50.105 -2.776 19673
1840 1 9 . 1 1 22 22 GLY H H 22 8.665 8.665 8.671 -0.006 19673
1841 1 9 . 1 1 23 23 LEU N N 23 121.389 121.389 119.051 2.338 19673
1842 1 9 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.025 0.262 19673
1843 1 9 . 1 1 23 23 LEU C C 23 178.486 178.486 177.912 0.574 19673
1844 1 9 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.894 1.224 19673
1845 1 9 . 1 1 23 23 LEU H H 23 8.604 8.604 8.005 0.599 19673
1846 1 9 . 1 1 24 24 VAL N N 24 118.366 118.366 121.771 -3.405 19673
1847 1 9 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.816 -0.164 19673
1848 1 9 . 1 1 24 24 VAL C C 24 177.109 177.109 177.969 -0.860 19673
1849 1 9 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.010 1.980 19673
1850 1 9 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.711 -0.919 19673
1851 1 9 . 1 1 24 24 VAL H H 24 8.514 8.514 7.645 0.869 19673
1852 1 9 . 1 1 25 25 ALA N N 25 121.150 121.150 121.011 0.139 19673
1853 1 9 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.730 0.353 19673
1854 1 9 . 1 1 25 25 ALA C C 25 178.345 178.345 179.386 -1.041 19673
1855 1 9 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.441 -1.187 19673
1856 1 9 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.456 -0.728 19673
1857 1 9 . 1 1 25 25 ALA H H 25 8.864 8.864 8.283 0.581 19673
1858 1 9 . 1 1 26 26 TYR N N 26 118.180 118.180 119.997 -1.817 19673
1859 1 9 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.442 -0.152 19673
1860 1 9 . 1 1 26 26 TYR C C 26 176.867 176.867 177.887 -1.020 19673
1861 1 9 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.063 0.916 19673
1862 1 9 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.696 0.830 19673
1863 1 9 . 1 1 26 26 TYR H H 26 8.686 8.686 8.099 0.587 19673
1864 1 9 . 1 1 27 27 ILE N N 27 118.426 118.426 120.373 -1.947 19673
1865 1 9 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.899 -0.304 19673
1866 1 9 . 1 1 27 27 ILE C C 27 177.922 177.922 177.900 0.022 19673
1867 1 9 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.725 0.014 19673
1868 1 9 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.449 -1.074 19673
1869 1 9 . 1 1 27 27 ILE H H 27 8.537 8.537 8.039 0.498 19673
1870 1 9 . 1 1 28 28 ALA N N 28 121.944 121.944 122.055 -0.111 19673
1871 1 9 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.734 0.279 19673
1872 1 9 . 1 1 28 28 ALA C C 28 178.779 178.779 179.007 -0.228 19673
1873 1 9 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.370 -0.071 19673
1874 1 9 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.976 -1.002 19673
1875 1 9 . 1 1 28 28 ALA H H 28 8.920 8.920 8.020 0.900 19673
1876 1 9 . 1 1 29 29 PHE N N 29 117.662 117.662 120.294 -2.632 19673
1877 1 9 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.205 0.142 19673
1878 1 9 . 1 1 29 29 PHE C C 29 177.543 177.543 177.460 0.083 19673
1879 1 9 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.227 -0.021 19673
1880 1 9 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.063 1.003 19673
1881 1 9 . 1 1 29 29 PHE H H 29 8.868 8.868 8.473 0.395 19673
1882 1 9 . 1 1 30 30 LYS N N 30 118.519 118.519 119.305 -0.786 19673
1883 1 9 . 1 1 30 30 LYS HA H 30 3.994 3.994 3.964 0.030 19673
1884 1 9 . 1 1 30 30 LYS C C 30 179.148 179.148 178.408 0.740 19673
1885 1 9 . 1 1 30 30 LYS CA C 30 57.831 57.831 59.903 -2.072 19673
1886 1 9 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.632 -1.513 19673
1887 1 9 . 1 1 30 30 LYS H H 30 8.437 8.437 7.829 0.608 19673
1888 1 9 . 1 1 31 31 ARG N N 31 118.783 118.783 118.035 0.748 19673
1889 1 9 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.995 0.270 19673
1890 1 9 . 1 1 31 31 ARG C C 31 178.041 178.041 178.598 -0.557 19673
1891 1 9 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.246 -1.623 19673
1892 1 9 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.958 -0.130 19673
1893 1 9 . 1 1 31 31 ARG H H 31 8.311 8.311 7.628 0.683 19673
1894 1 9 . 1 1 32 32 TRP N N 32 121.389 121.389 119.701 1.688 19673
1895 1 9 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.349 0.166 19673
1896 1 9 . 1 1 32 32 TRP C C 32 176.935 176.935 177.630 -0.695 19673
1897 1 9 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.042 -0.616 19673
1898 1 9 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.104 -0.201 19673
1899 1 9 . 1 1 32 32 TRP H H 32 8.579 8.579 7.728 0.851 19673
1900 1 9 . 1 1 33 33 ASN N N 33 117.319 117.319 112.446 4.873 19673
1901 1 9 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.609 -0.091 19673
1902 1 9 . 1 1 33 33 ASN C C 33 175.770 175.770 176.014 -0.244 19673
1903 1 9 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.036 1.083 19673
1904 1 9 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.788 0.199 19673
1905 1 9 . 1 1 33 33 ASN H H 33 8.313 8.313 8.060 0.253 19673
1906 1 9 . 1 1 34 34 SER N N 34 114.896 114.896 113.446 1.450 19673
1907 1 9 . 1 1 34 34 SER HA H 34 4.481 4.481 4.344 0.137 19673
1908 1 9 . 1 1 34 34 SER C C 34 174.852 174.852 175.349 -0.497 19673
1909 1 9 . 1 1 34 34 SER CA C 34 59.319 59.319 60.655 -1.336 19673
1910 1 9 . 1 1 34 34 SER CB C 34 63.433 63.433 63.883 -0.450 19673
1911 1 9 . 1 1 34 34 SER H H 34 7.952 7.952 7.738 0.214 19673
1912 1 9 . 1 1 35 35 SER N N 35 117.172 117.172 110.428 6.744 19673
1913 1 9 . 1 1 35 35 SER HA H 35 4.518 4.518 4.393 0.125 19673
1914 1 9 . 1 1 35 35 SER C C 35 174.485 174.485 173.150 1.335 19673
1915 1 9 . 1 1 35 35 SER CA C 35 58.833 58.833 58.947 -0.113 19673
1916 1 9 . 1 1 35 35 SER CB C 35 63.445 63.445 63.845 -0.400 19673
1917 1 9 . 1 1 35 35 SER H H 35 8.094 8.094 7.730 0.364 19673
1918 1 9 . 1 1 36 36 LYS N N 36 122.146 122.146 124.378 -2.232 19673
1919 1 9 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.082 0.292 19673
1920 1 9 . 1 1 36 36 LYS C C 36 176.339 176.339 175.359 0.980 19673
1921 1 9 . 1 1 36 36 LYS CA C 36 56.197 56.197 58.587 -2.390 19673
1922 1 9 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.508 -0.151 19673
1923 1 9 . 1 1 36 36 LYS H H 36 8.011 8.011 8.103 -0.092 19673
1924 1 9 . 1 1 37 37 GLN N N 37 120.055 120.055 124.091 -4.036 19673
1925 1 9 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.431 -0.013 19673
1926 1 9 . 1 1 37 37 GLN C C 37 175.424 175.424 174.565 0.859 19673
1927 1 9 . 1 1 37 37 GLN CA C 37 55.646 55.646 55.180 0.466 19673
1928 1 9 . 1 1 37 37 GLN CB C 37 29.129 29.129 31.581 -2.452 19673
1929 1 9 . 1 1 37 37 GLN H H 37 8.177 8.177 8.128 0.049 19673
1930 1 9 . 1 1 38 38 ASN N N 38 119.734 119.734 120.140 -0.406 19673
1931 1 9 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.920 -0.113 19673
1932 1 9 . 1 1 38 38 ASN C C 38 174.550 174.550 173.361 1.189 19673
1933 1 9 . 1 1 38 38 ASN CA C 38 53.040 53.040 52.940 0.100 19673
1934 1 9 . 1 1 38 38 ASN H H 38 8.379 8.379 8.597 -0.218 19673
1935 1 9 . 1 1 39 39 LYS N N 39 121.900 121.900 122.694 -0.794 19673
1936 1 9 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.421 0.028 19673
1937 1 9 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.948 -0.817 19673
1938 1 9 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.264 -0.489 19673
1939 1 9 . 1 1 39 39 LYS H H 39 8.220 8.220 8.255 -0.035 19673
1940 1 9 . 1 1 40 40 GLN N N 40 126.738 126.738 120.794 5.944 19673
1941 1 9 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.648 -0.361 19673
1942 1 9 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.261 1.907 19673
1943 1 9 . 1 1 40 40 GLN CB C 40 30.260 30.260 30.259 0.001 19673
1944 1 9 . 1 1 40 40 GLN H H 40 8.004 8.004 8.369 -0.365 19673
1945 1 10 . 1 1 2 2 ARG N N 2 122.743 122.743 119.535 3.208 19673
1946 1 10 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.714 -0.202 19673
1947 1 10 . 1 1 2 2 ARG C C 2 176.305 176.305 175.222 1.083 19673
1948 1 10 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.754 0.373 19673
1949 1 10 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.528 -0.812 19673
1950 1 10 . 1 1 2 2 ARG H H 2 8.481 8.481 8.006 0.475 19673
1951 1 10 . 1 1 3 3 GLY N N 3 109.588 109.588 111.988 -2.400 19673
1952 1 10 . 1 1 3 3 GLY C C 3 174.092 174.092 173.872 0.220 19673
1953 1 10 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.351 -0.182 19673
1954 1 10 . 1 1 3 3 GLY H H 3 8.576 8.576 8.827 -0.251 19673
1955 1 10 . 1 1 4 4 THR N N 4 113.251 113.251 118.412 -5.161 19673
1956 1 10 . 1 1 4 4 THR HA H 4 4.544 4.544 4.351 0.193 19673
1957 1 10 . 1 1 4 4 THR C C 4 174.864 174.864 173.948 0.916 19673
1958 1 10 . 1 1 4 4 THR CA C 4 61.955 61.955 62.172 -0.217 19673
1959 1 10 . 1 1 4 4 THR H H 4 8.155 8.155 8.461 -0.306 19673
1960 1 10 . 1 1 5 5 THR N N 5 114.461 114.461 113.189 1.272 19673
1961 1 10 . 1 1 5 5 THR HA H 5 4.454 4.454 4.212 0.242 19673
1962 1 10 . 1 1 5 5 THR C C 5 174.181 174.181 174.474 -0.293 19673
1963 1 10 . 1 1 5 5 THR CA C 5 62.062 62.062 62.312 -0.251 19673
1964 1 10 . 1 1 5 5 THR CB C 5 69.306 69.306 69.514 -0.208 19673
1965 1 10 . 1 1 5 5 THR H H 5 8.243 8.243 7.693 0.550 19673
1966 1 10 . 1 1 6 6 ASP N N 6 121.828 121.828 118.712 3.116 19673
1967 1 10 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.322 0.356 19673
1968 1 10 . 1 1 6 6 ASP C C 6 175.797 175.797 175.063 0.734 19673
1969 1 10 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.421 0.392 19673
1970 1 10 . 1 1 6 6 ASP CB C 6 41.012 41.012 40.687 0.325 19673
1971 1 10 . 1 1 6 6 ASP H H 6 8.325 8.325 8.257 0.068 19673
1972 1 10 . 1 1 7 7 ASN N N 7 117.808 117.808 121.126 -3.318 19673
1973 1 10 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.724 0.104 19673
1974 1 10 . 1 1 7 7 ASN C C 7 174.864 174.864 175.749 -0.885 19673
1975 1 10 . 1 1 7 7 ASN CA C 7 53.127 53.127 52.563 0.564 19673
1976 1 10 . 1 1 7 7 ASN CB C 7 38.696 38.696 39.238 -0.542 19673
1977 1 10 . 1 1 7 7 ASN H H 7 8.267 8.267 8.404 -0.137 19673
1978 1 10 . 1 1 8 8 LEU N N 8 121.126 121.126 119.723 1.403 19673
1979 1 10 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.933 0.397 19673
1980 1 10 . 1 1 8 8 LEU CA C 8 55.819 55.819 56.562 -0.743 19673
1981 1 10 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.996 0.408 19673
1982 1 10 . 1 1 8 8 LEU H H 8 8.452 8.452 8.702 -0.250 19673
1983 1 10 . 1 1 9 9 ILE N N 9 119.437 119.437 117.428 2.009 19673
1984 1 10 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.297 -0.111 19673
1985 1 10 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.513 0.328 19673
1986 1 10 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.798 -3.031 19673
1987 1 10 . 1 1 9 9 ILE H H 9 8.250 8.250 7.585 0.665 19673
1988 1 10 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.241 0.139 19673
1989 1 10 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.028 -3.082 19673
1990 1 10 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.340 1.250 19673
1991 1 10 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.036 -0.200 19673
1992 1 10 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.305 1.685 19673
1993 1 10 . 1 1 11 11 VAL CB C 11 31.136 31.136 30.925 0.211 19673
1994 1 10 . 1 1 12 12 TYR N N 12 117.971 117.971 119.690 -1.719 19673
1995 1 10 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.105 0.325 19673
1996 1 10 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.590 -1.816 19673
1997 1 10 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.507 -1.472 19673
1998 1 10 . 1 1 12 12 TYR H H 12 8.341 8.341 7.792 0.549 19673
1999 1 10 . 1 1 13 13 CYS N N 13 115.494 115.494 118.185 -2.691 19673
2000 1 10 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.085 0.276 19673
2001 1 10 . 1 1 13 13 CYS C C 13 175.298 175.298 177.270 -1.972 19673
2002 1 10 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.570 -3.485 19673
2003 1 10 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.369 15.160 19673
2004 1 10 . 1 1 13 13 CYS H H 13 8.681 8.681 7.760 0.921 19673
2005 1 10 . 1 1 14 14 SER N N 14 116.691 116.691 114.653 2.038 19673
2006 1 10 . 1 1 14 14 SER HA H 14 4.200 4.200 4.181 0.019 19673
2007 1 10 . 1 1 14 14 SER C C 14 174.951 174.951 176.952 -2.001 19673
2008 1 10 . 1 1 14 14 SER CA C 14 62.671 62.671 62.157 0.514 19673
2009 1 10 . 1 1 14 14 SER CB C 14 62.565 62.565 61.124 1.441 19673
2010 1 10 . 1 1 14 14 SER H H 14 7.923 7.923 8.185 -0.262 19673
2011 1 10 . 1 1 15 15 ILE N N 15 120.993 120.993 120.929 0.064 19673
2012 1 10 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.965 -0.200 19673
2013 1 10 . 1 1 15 15 ILE C C 15 176.935 176.935 178.146 -1.211 19673
2014 1 10 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.052 0.064 19673
2015 1 10 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.556 -0.194 19673
2016 1 10 . 1 1 15 15 ILE H H 15 7.930 7.930 7.603 0.327 19673
2017 1 10 . 1 1 16 16 LEU N N 16 118.319 118.319 122.680 -4.361 19673
2018 1 10 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.851 0.211 19673
2019 1 10 . 1 1 16 16 LEU C C 16 177.684 177.684 178.269 -0.585 19673
2020 1 10 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.739 -0.787 19673
2021 1 10 . 1 1 16 16 LEU CB C 16 41.552 41.552 41.946 -0.394 19673
2022 1 10 . 1 1 16 16 LEU H H 16 8.037 8.037 8.454 -0.417 19673
2023 1 10 . 1 1 17 17 ALA N N 17 118.970 118.970 122.743 -3.773 19673
2024 1 10 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.830 0.185 19673
2025 1 10 . 1 1 17 17 ALA C C 17 177.814 177.814 178.888 -1.074 19673
2026 1 10 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.580 -0.281 19673
2027 1 10 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.202 -0.576 19673
2028 1 10 . 1 1 17 17 ALA H H 17 8.260 8.260 8.061 0.199 19673
2029 1 10 . 1 1 18 18 ALA N N 18 118.854 118.854 120.817 -1.963 19673
2030 1 10 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.804 0.190 19673
2031 1 10 . 1 1 18 18 ALA C C 18 178.578 178.578 179.407 -0.829 19673
2032 1 10 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.259 0.040 19673
2033 1 10 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.793 -0.131 19673
2034 1 10 . 1 1 18 18 ALA H H 18 8.027 8.027 7.862 0.165 19673
2035 1 10 . 1 1 19 19 VAL N N 19 116.253 116.253 118.215 -1.962 19673
2036 1 10 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.740 -0.094 19673
2037 1 10 . 1 1 19 19 VAL C C 19 176.935 176.935 178.172 -1.237 19673
2038 1 10 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.401 1.103 19673
2039 1 10 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.970 0.049 19673
2040 1 10 . 1 1 19 19 VAL H H 19 8.259 8.259 7.817 0.442 19673
2041 1 10 . 1 1 20 20 VAL N N 20 118.427 118.427 118.858 -0.431 19673
2042 1 10 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.489 0.150 19673
2043 1 10 . 1 1 20 20 VAL C C 20 177.044 177.044 178.150 -1.106 19673
2044 1 10 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.864 0.638 19673
2045 1 10 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.674 -0.773 19673
2046 1 10 . 1 1 20 20 VAL H H 20 8.206 8.206 8.142 0.064 19673
2047 1 10 . 1 1 21 21 VAL N N 21 118.319 118.319 119.734 -1.415 19673
2048 1 10 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.603 -0.027 19673
2049 1 10 . 1 1 21 21 VAL C C 21 177.239 177.239 178.102 -0.863 19673
2050 1 10 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.933 0.174 19673
2051 1 10 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.981 -0.283 19673
2052 1 10 . 1 1 21 21 VAL H H 21 8.511 8.511 8.069 0.442 19673
2053 1 10 . 1 1 22 22 GLY N N 22 106.678 106.678 109.088 -2.410 19673
2054 1 10 . 1 1 22 22 GLY C C 22 174.192 174.192 177.204 -3.012 19673
2055 1 10 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.367 -2.038 19673
2056 1 10 . 1 1 22 22 GLY H H 22 8.665 8.665 8.705 -0.040 19673
2057 1 10 . 1 1 23 23 LEU N N 23 121.389 121.389 119.417 1.972 19673
2058 1 10 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.046 0.241 19673
2059 1 10 . 1 1 23 23 LEU C C 23 178.486 178.486 178.309 0.177 19673
2060 1 10 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.906 1.212 19673
2061 1 10 . 1 1 23 23 LEU H H 23 8.604 8.604 8.039 0.565 19673
2062 1 10 . 1 1 24 24 VAL N N 24 118.366 118.366 121.933 -3.567 19673
2063 1 10 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.842 -0.190 19673
2064 1 10 . 1 1 24 24 VAL C C 24 177.109 177.109 178.037 -0.928 19673
2065 1 10 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.526 1.465 19673
2066 1 10 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.355 -0.563 19673
2067 1 10 . 1 1 24 24 VAL H H 24 8.514 8.514 8.309 0.205 19673
2068 1 10 . 1 1 25 25 ALA N N 25 121.150 121.150 121.572 -0.422 19673
2069 1 10 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.741 0.342 19673
2070 1 10 . 1 1 25 25 ALA C C 25 178.345 178.345 179.469 -1.124 19673
2071 1 10 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.105 -0.850 19673
2072 1 10 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.534 -0.806 19673
2073 1 10 . 1 1 25 25 ALA H H 25 8.864 8.864 8.354 0.510 19673
2074 1 10 . 1 1 26 26 TYR N N 26 118.180 118.180 119.808 -1.628 19673
2075 1 10 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.412 -0.122 19673
2076 1 10 . 1 1 26 26 TYR C C 26 176.867 176.867 178.013 -1.146 19673
2077 1 10 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.105 0.874 19673
2078 1 10 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.635 0.891 19673
2079 1 10 . 1 1 26 26 TYR H H 26 8.686 8.686 8.382 0.304 19673
2080 1 10 . 1 1 27 27 ILE N N 27 118.426 118.426 120.766 -2.340 19673
2081 1 10 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.996 -0.401 19673
2082 1 10 . 1 1 27 27 ILE C C 27 177.922 177.922 178.011 -0.089 19673
2083 1 10 . 1 1 27 27 ILE CA C 27 64.740 64.740 63.863 0.877 19673
2084 1 10 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.484 -1.109 19673
2085 1 10 . 1 1 27 27 ILE H H 27 8.537 8.537 8.019 0.518 19673
2086 1 10 . 1 1 28 28 ALA N N 28 121.944 121.944 121.691 0.253 19673
2087 1 10 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.654 0.359 19673
2088 1 10 . 1 1 28 28 ALA C C 28 178.779 178.779 179.195 -0.416 19673
2089 1 10 . 1 1 28 28 ALA CA C 28 55.299 55.299 53.926 1.373 19673
2090 1 10 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.396 -0.422 19673
2091 1 10 . 1 1 28 28 ALA H H 28 8.920 8.920 7.956 0.964 19673
2092 1 10 . 1 1 29 29 PHE N N 29 117.662 117.662 120.994 -3.332 19673
2093 1 10 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.000 0.347 19673
2094 1 10 . 1 1 29 29 PHE C C 29 177.543 177.543 177.300 0.243 19673
2095 1 10 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.116 0.090 19673
2096 1 10 . 1 1 29 29 PHE CB C 29 39.066 39.066 37.972 1.094 19673
2097 1 10 . 1 1 29 29 PHE H H 29 8.868 8.868 8.572 0.296 19673
2098 1 10 . 1 1 30 30 LYS N N 30 118.519 118.519 119.927 -1.408 19673
2099 1 10 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.157 -0.163 19673
2100 1 10 . 1 1 30 30 LYS C C 30 179.148 179.148 178.167 0.981 19673
2101 1 10 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.382 -0.551 19673
2102 1 10 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.685 -1.566 19673
2103 1 10 . 1 1 30 30 LYS H H 30 8.437 8.437 7.908 0.529 19673
2104 1 10 . 1 1 31 31 ARG N N 31 118.783 118.783 119.350 -0.567 19673
2105 1 10 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.669 0.596 19673
2106 1 10 . 1 1 31 31 ARG C C 31 178.041 178.041 177.817 0.224 19673
2107 1 10 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.850 -1.227 19673
2108 1 10 . 1 1 31 31 ARG CB C 31 29.828 29.828 30.050 -0.222 19673
2109 1 10 . 1 1 31 31 ARG H H 31 8.311 8.311 7.598 0.713 19673
2110 1 10 . 1 1 32 32 TRP N N 32 121.389 121.389 120.983 0.406 19673
2111 1 10 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.176 0.339 19673
2112 1 10 . 1 1 32 32 TRP C C 32 176.935 176.935 178.578 -1.643 19673
2113 1 10 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.602 -1.175 19673
2114 1 10 . 1 1 32 32 TRP CB C 32 28.903 28.903 28.867 0.035 19673
2115 1 10 . 1 1 32 32 TRP H H 32 8.579 8.579 7.808 0.771 19673
2116 1 10 . 1 1 33 33 ASN N N 33 117.319 117.319 113.995 3.324 19673
2117 1 10 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.737 -0.219 19673
2118 1 10 . 1 1 33 33 ASN C C 33 175.770 175.770 176.669 -0.899 19673
2119 1 10 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.738 -0.619 19673
2120 1 10 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.390 0.597 19673
2121 1 10 . 1 1 33 33 ASN H H 33 8.313 8.313 8.385 -0.072 19673
2122 1 10 . 1 1 34 34 SER N N 34 114.896 114.896 116.335 -1.439 19673
2123 1 10 . 1 1 34 34 SER HA H 34 4.481 4.481 4.193 0.288 19673
2124 1 10 . 1 1 34 34 SER C C 34 174.852 174.852 176.474 -1.622 19673
2125 1 10 . 1 1 34 34 SER CA C 34 59.319 59.319 61.381 -2.062 19673
2126 1 10 . 1 1 34 34 SER CB C 34 63.433 63.433 63.049 0.384 19673
2127 1 10 . 1 1 34 34 SER H H 34 7.952 7.952 7.357 0.595 19673
2128 1 10 . 1 1 35 35 SER N N 35 117.172 117.172 116.938 0.234 19673
2129 1 10 . 1 1 35 35 SER HA H 35 4.518 4.518 4.307 0.211 19673
2130 1 10 . 1 1 35 35 SER C C 35 174.485 174.485 175.839 -1.354 19673
2131 1 10 . 1 1 35 35 SER CA C 35 58.833 58.833 60.945 -2.112 19673
2132 1 10 . 1 1 35 35 SER CB C 35 63.445 63.445 62.975 0.470 19673
2133 1 10 . 1 1 35 35 SER H H 35 8.094 8.094 8.431 -0.337 19673
2134 1 10 . 1 1 36 36 LYS N N 36 122.146 122.146 120.501 1.645 19673
2135 1 10 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.106 0.268 19673
2136 1 10 . 1 1 36 36 LYS C C 36 176.339 176.339 176.239 0.100 19673
2137 1 10 . 1 1 36 36 LYS CA C 36 56.197 56.197 58.391 -2.194 19673
2138 1 10 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.952 -0.595 19673
2139 1 10 . 1 1 36 36 LYS H H 36 8.011 8.011 7.667 0.344 19673
2140 1 10 . 1 1 37 37 GLN N N 37 120.055 120.055 117.516 2.539 19673
2141 1 10 . 1 1 37 37 GLN HA H 37 4.418 4.418 3.914 0.504 19673
2142 1 10 . 1 1 37 37 GLN C C 37 175.424 175.424 174.954 0.470 19673
2143 1 10 . 1 1 37 37 GLN CA C 37 55.646 55.646 56.983 -1.337 19673
2144 1 10 . 1 1 37 37 GLN CB C 37 29.129 29.129 28.574 0.555 19673
2145 1 10 . 1 1 37 37 GLN H H 37 8.177 8.177 7.593 0.584 19673
2146 1 10 . 1 1 38 38 ASN N N 38 119.734 119.734 116.300 3.434 19673
2147 1 10 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.372 0.436 19673
2148 1 10 . 1 1 38 38 ASN C C 38 174.550 174.550 173.808 0.742 19673
2149 1 10 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.696 -0.656 19673
2150 1 10 . 1 1 38 38 ASN H H 38 8.379 8.379 8.632 -0.253 19673
2151 1 10 . 1 1 39 39 LYS N N 39 121.900 121.900 119.961 1.939 19673
2152 1 10 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.266 0.184 19673
2153 1 10 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.414 -0.283 19673
2154 1 10 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.222 -0.447 19673
2155 1 10 . 1 1 39 39 LYS H H 39 8.220 8.220 8.038 0.182 19673
2156 1 10 . 1 1 40 40 GLN N N 40 126.738 126.738 119.813 6.925 19673
2157 1 10 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.382 -0.095 19673
2158 1 10 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.906 1.262 19673
2159 1 10 . 1 1 40 40 GLN CB C 40 30.260 30.260 29.140 1.119 19673
2160 1 10 . 1 1 40 40 GLN H H 40 8.004 8.004 8.289 -0.285 19673
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 37 2.886 -0.066 2.925 19673
2 1 1 "Average Difference" HA 41 0.338 -0.183 0.288 19673
3 1 1 "Average Difference" C 32 1.188 0.574 1.056 19673
4 1 1 "Average Difference" CA 39 1.359 0.221 1.359 19673
5 1 1 "Average Difference" CB 34 2.791 -0.392 2.805 19673
6 1 1 "Average Difference" HN 37 0.477 -0.247 0.414 19673
7 1 2 "Average Difference" N 37 2.251 0.256 2.267 19673
8 1 2 "Average Difference" HA 41 0.278 -0.120 0.254 19673
9 1 2 "Average Difference" C 32 1.067 0.588 0.904 19673
10 1 2 "Average Difference" CA 39 1.296 0.254 1.287 19673
11 1 2 "Average Difference" CB 34 2.734 -0.231 2.765 19673
12 1 2 "Average Difference" HN 37 0.550 -0.359 0.422 19673
13 1 3 "Average Difference" N 37 2.482 0.496 2.466 19673
14 1 3 "Average Difference" HA 41 0.277 -0.135 0.245 19673
15 1 3 "Average Difference" C 32 1.107 0.562 0.968 19673
16 1 3 "Average Difference" CA 39 1.400 0.420 1.353 19673
17 1 3 "Average Difference" CB 34 2.776 -0.317 2.799 19673
18 1 3 "Average Difference" HN 37 0.514 -0.342 0.389 19673
19 1 4 "Average Difference" N 37 2.757 0.142 2.791 19673
20 1 4 "Average Difference" HA 41 0.299 -0.125 0.275 19673
21 1 4 "Average Difference" C 32 1.045 0.456 0.955 19673
22 1 4 "Average Difference" CA 39 1.181 0.001 1.197 19673
23 1 4 "Average Difference" CB 34 2.880 -0.231 2.914 19673
24 1 4 "Average Difference" HN 37 0.545 -0.334 0.436 19673
25 1 5 "Average Difference" N 37 2.490 0.649 2.437 19673
26 1 5 "Average Difference" HA 41 0.244 -0.112 0.220 19673
27 1 5 "Average Difference" C 32 1.152 0.502 1.053 19673
28 1 5 "Average Difference" CA 39 1.376 0.305 1.360 19673
29 1 5 "Average Difference" CB 34 2.776 -0.457 2.779 19673
30 1 5 "Average Difference" HN 37 0.474 -0.224 0.424 19673
31 1 6 "Average Difference" N 37 2.802 0.312 2.823 19673
32 1 6 "Average Difference" HA 41 0.282 -0.146 0.244 19673
33 1 6 "Average Difference" C 32 1.152 0.560 1.022 19673
34 1 6 "Average Difference" CA 39 1.203 0.130 1.211 19673
35 1 6 "Average Difference" CB 34 2.916 -0.418 2.929 19673
36 1 6 "Average Difference" HN 37 0.519 -0.320 0.413 19673
37 1 7 "Average Difference" N 37 2.319 0.311 2.330 19673
38 1 7 "Average Difference" HA 41 0.254 -0.151 0.207 19673
39 1 7 "Average Difference" C 32 1.093 0.477 0.999 19673
40 1 7 "Average Difference" CA 39 1.424 0.306 1.409 19673
41 1 7 "Average Difference" CB 34 2.732 -0.202 2.765 19673
42 1 7 "Average Difference" HN 37 0.470 -0.282 0.382 19673
43 1 8 "Average Difference" N 37 2.421 0.103 2.452 19673
44 1 8 "Average Difference" HA 41 0.284 -0.134 0.254 19673
45 1 8 "Average Difference" C 32 1.043 0.493 0.934 19673
46 1 8 "Average Difference" CA 39 1.267 0.092 1.280 19673
47 1 8 "Average Difference" CB 34 2.874 -0.255 2.906 19673
48 1 8 "Average Difference" HN 37 0.541 -0.335 0.431 19673
49 1 9 "Average Difference" N 37 2.657 0.128 2.690 19673
50 1 9 "Average Difference" HA 41 0.251 -0.085 0.239 19673
51 1 9 "Average Difference" C 32 1.107 0.379 1.057 19673
52 1 9 "Average Difference" CA 39 1.440 0.311 1.424 19673
53 1 9 "Average Difference" CB 34 2.753 -0.087 2.793 19673
54 1 9 "Average Difference" HN 37 0.476 -0.300 0.375 19673
55 1 10 "Average Difference" N 37 2.644 0.284 2.665 19673
56 1 10 "Average Difference" HA 41 0.280 -0.147 0.242 19673
57 1 10 "Average Difference" C 32 1.133 0.575 0.992 19673
58 1 10 "Average Difference" CA 39 1.288 0.331 1.261 19673
59 1 10 "Average Difference" CB 34 2.750 -0.289 2.776 19673
60 1 10 "Average Difference" HN 37 0.455 -0.252 0.384 19673
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 19673
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 ARG N N 2 122.743 122.743 120.417 2.326 19673
2 1 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.568 -0.056 19673
3 1 . 1 1 2 2 ARG C C 2 176.305 176.305 175.642 0.664 19673
4 1 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.669 0.458 19673
5 1 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.269 -0.553 19673
6 1 . 1 1 2 2 ARG H H 2 8.481 8.481 8.062 0.419 19673
7 1 . 1 1 3 3 GLY N N 3 109.588 109.588 111.011 -1.423 19673
8 1 . 1 1 3 3 GLY C C 3 174.092 174.092 174.939 -0.846 19673
9 1 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.140 0.029 19673
10 1 . 1 1 3 3 GLY H H 3 8.576 8.576 8.521 0.055 19673
11 1 . 1 1 4 4 THR N N 4 113.251 113.251 114.705 -1.453 19673
12 1 . 1 1 4 4 THR HA H 4 4.544 4.544 4.229 0.315 19673
13 1 . 1 1 4 4 THR C C 4 174.864 174.864 173.919 0.945 19673
14 1 . 1 1 4 4 THR CA C 4 61.955 61.955 62.062 -0.107 19673
15 1 . 1 1 4 4 THR H H 4 8.155 8.155 8.372 -0.217 19673
16 1 . 1 1 5 5 THR N N 5 114.461 114.461 113.260 1.201 19673
17 1 . 1 1 5 5 THR HA H 5 4.454 4.454 4.067 0.387 19673
18 1 . 1 1 5 5 THR C C 5 174.181 174.181 174.393 -0.212 19673
19 1 . 1 1 5 5 THR CA C 5 62.062 62.062 62.828 -0.766 19673
20 1 . 1 1 5 5 THR CB C 5 69.306 69.306 68.538 0.768 19673
21 1 . 1 1 5 5 THR H H 5 8.243 8.243 7.965 0.278 19673
22 1 . 1 1 6 6 ASP N N 6 121.828 121.828 120.315 1.513 19673
23 1 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.593 0.085 19673
24 1 . 1 1 6 6 ASP C C 6 175.797 175.797 175.513 0.283 19673
25 1 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.108 0.705 19673
26 1 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.562 -0.550 19673
27 1 . 1 1 6 6 ASP H H 6 8.325 8.325 7.938 0.387 19673
28 1 . 1 1 7 7 ASN N N 7 117.808 117.808 120.564 -2.756 19673
29 1 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.554 0.274 19673
30 1 . 1 1 7 7 ASN C C 7 174.864 174.864 174.734 0.130 19673
31 1 . 1 1 7 7 ASN CA C 7 53.127 53.127 53.909 -0.783 19673
32 1 . 1 1 7 7 ASN CB C 7 38.696 38.696 38.138 0.558 19673
33 1 . 1 1 7 7 ASN H H 7 8.267 8.267 8.539 -0.272 19673
34 1 . 1 1 8 8 LEU N N 8 121.126 121.126 118.745 2.381 19673
35 1 . 1 1 8 8 LEU HA H 8 4.330 4.330 4.058 0.272 19673
36 1 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.846 -0.027 19673
37 1 . 1 1 8 8 LEU CB C 8 42.404 42.404 42.192 0.212 19673
38 1 . 1 1 8 8 LEU H H 8 8.452 8.452 8.410 0.042 19673
39 1 . 1 1 9 9 ILE N N 9 119.437 119.437 117.958 1.479 19673
40 1 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.223 -0.037 19673
41 1 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.336 0.505 19673
42 1 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.585 -2.818 19673
43 1 . 1 1 9 9 ILE H H 9 8.250 8.250 7.691 0.559 19673
44 1 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.137 0.243 19673
45 1 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.302 -3.356 19673
46 1 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.982 1.609 19673
47 1 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.023 -0.187 19673
48 1 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.356 1.634 19673
49 1 . 1 1 11 11 VAL CB C 11 31.136 31.136 30.910 0.226 19673
50 1 . 1 1 12 12 TYR N N 12 117.971 117.971 119.275 -1.304 19673
51 1 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.135 0.295 19673
52 1 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.494 -1.720 19673
53 1 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.293 -1.258 19673
54 1 . 1 1 12 12 TYR H H 12 8.341 8.341 8.073 0.268 19673
55 1 . 1 1 13 13 CYS N N 13 115.494 115.494 118.016 -2.522 19673
56 1 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.160 0.201 19673
57 1 . 1 1 13 13 CYS C C 13 175.298 175.298 177.157 -1.860 19673
58 1 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.585 -3.500 19673
59 1 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.289 15.240 19673
60 1 . 1 1 13 13 CYS H H 13 8.681 8.681 7.562 1.119 19673
61 1 . 1 1 14 14 SER N N 14 116.691 116.691 114.918 1.773 19673
62 1 . 1 1 14 14 SER HA H 14 4.200 4.200 4.181 0.019 19673
63 1 . 1 1 14 14 SER C C 14 174.951 174.951 177.025 -2.075 19673
64 1 . 1 1 14 14 SER CA C 14 62.671 62.671 61.320 1.351 19673
65 1 . 1 1 14 14 SER CB C 14 62.565 62.565 61.073 1.492 19673
66 1 . 1 1 14 14 SER H H 14 7.923 7.923 8.270 -0.347 19673
67 1 . 1 1 15 15 ILE N N 15 120.993 120.993 121.666 -0.673 19673
68 1 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.959 -0.194 19673
69 1 . 1 1 15 15 ILE C C 15 176.935 176.935 178.017 -1.082 19673
70 1 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.404 -0.288 19673
71 1 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.875 -0.513 19673
72 1 . 1 1 15 15 ILE H H 15 7.930 7.930 7.727 0.203 19673
73 1 . 1 1 16 16 LEU N N 16 118.319 118.319 123.036 -4.716 19673
74 1 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.888 0.174 19673
75 1 . 1 1 16 16 LEU C C 16 177.684 177.684 178.315 -0.631 19673
76 1 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.586 -0.634 19673
77 1 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.014 -0.462 19673
78 1 . 1 1 16 16 LEU H H 16 8.037 8.037 8.288 -0.251 19673
79 1 . 1 1 17 17 ALA N N 17 118.970 118.970 122.612 -3.642 19673
80 1 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.889 0.126 19673
81 1 . 1 1 17 17 ALA C C 17 177.814 177.814 178.788 -0.974 19673
82 1 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.682 -0.383 19673
83 1 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.701 -1.075 19673
84 1 . 1 1 17 17 ALA H H 17 8.260 8.260 8.236 0.024 19673
85 1 . 1 1 18 18 ALA N N 18 118.854 118.854 121.228 -2.374 19673
86 1 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.813 0.181 19673
87 1 . 1 1 18 18 ALA C C 18 178.578 178.578 179.047 -0.470 19673
88 1 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.202 0.097 19673
89 1 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.907 -0.245 19673
90 1 . 1 1 18 18 ALA H H 18 8.027 8.027 7.784 0.243 19673
91 1 . 1 1 19 19 VAL N N 19 116.253 116.253 118.217 -1.964 19673
92 1 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.765 -0.119 19673
93 1 . 1 1 19 19 VAL C C 19 176.935 176.935 178.103 -1.168 19673
94 1 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.428 1.076 19673
95 1 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.968 0.051 19673
96 1 . 1 1 19 19 VAL H H 19 8.259 8.259 7.765 0.494 19673
97 1 . 1 1 20 20 VAL N N 20 118.427 118.427 118.666 -0.239 19673
98 1 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.544 0.095 19673
99 1 . 1 1 20 20 VAL C C 20 177.044 177.044 178.297 -1.253 19673
100 1 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.491 1.011 19673
101 1 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.420 -0.519 19673
102 1 . 1 1 20 20 VAL H H 20 8.206 8.206 7.732 0.474 19673
103 1 . 1 1 21 21 VAL N N 21 118.319 118.319 119.766 -1.447 19673
104 1 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.628 -0.052 19673
105 1 . 1 1 21 21 VAL C C 21 177.239 177.239 178.050 -0.811 19673
106 1 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.575 0.532 19673
107 1 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.927 -0.229 19673
108 1 . 1 1 21 21 VAL H H 21 8.511 8.511 7.975 0.536 19673
109 1 . 1 1 22 22 GLY N N 22 106.678 106.678 108.862 -2.184 19673
110 1 . 1 1 22 22 GLY C C 22 174.192 174.192 177.195 -3.003 19673
111 1 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.704 -2.375 19673
112 1 . 1 1 22 22 GLY H H 22 8.665 8.665 8.662 0.003 19673
113 1 . 1 1 23 23 LEU N N 23 121.389 121.389 119.342 2.047 19673
114 1 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.016 0.271 19673
115 1 . 1 1 23 23 LEU C C 23 178.486 178.486 178.173 0.313 19673
116 1 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.964 1.154 19673
117 1 . 1 1 23 23 LEU H H 23 8.604 8.604 8.026 0.578 19673
118 1 . 1 1 24 24 VAL N N 24 118.366 118.366 121.777 -3.411 19673
119 1 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.828 -0.176 19673
120 1 . 1 1 24 24 VAL C C 24 177.109 177.109 178.073 -0.964 19673
121 1 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.324 1.667 19673
122 1 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.658 -0.866 19673
123 1 . 1 1 24 24 VAL H H 24 8.514 8.514 7.903 0.611 19673
124 1 . 1 1 25 25 ALA N N 25 121.150 121.150 121.106 0.044 19673
125 1 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.781 0.302 19673
126 1 . 1 1 25 25 ALA C C 25 178.345 178.345 179.574 -1.229 19673
127 1 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.256 -1.002 19673
128 1 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.197 -0.469 19673
129 1 . 1 1 25 25 ALA H H 25 8.864 8.864 8.191 0.673 19673
130 1 . 1 1 26 26 TYR N N 26 118.180 118.180 120.071 -1.891 19673
131 1 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.415 -0.125 19673
132 1 . 1 1 26 26 TYR C C 26 176.867 176.867 177.959 -1.092 19673
133 1 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.044 0.935 19673
134 1 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.710 0.816 19673
135 1 . 1 1 26 26 TYR H H 26 8.686 8.686 8.126 0.560 19673
136 1 . 1 1 27 27 ILE N N 27 118.426 118.426 120.750 -2.324 19673
137 1 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.963 -0.368 19673
138 1 . 1 1 27 27 ILE C C 27 177.922 177.922 177.926 -0.004 19673
139 1 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.353 0.387 19673
140 1 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.395 -1.020 19673
141 1 . 1 1 27 27 ILE H H 27 8.537 8.537 8.055 0.482 19673
142 1 . 1 1 28 28 ALA N N 28 121.944 121.944 121.492 0.452 19673
143 1 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.643 0.370 19673
144 1 . 1 1 28 28 ALA C C 28 178.779 178.779 179.017 -0.237 19673
145 1 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.131 0.168 19673
146 1 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.822 -0.848 19673
147 1 . 1 1 28 28 ALA H H 28 8.920 8.920 8.022 0.898 19673
148 1 . 1 1 29 29 PHE N N 29 117.662 117.662 120.432 -2.770 19673
149 1 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.163 0.184 19673
150 1 . 1 1 29 29 PHE C C 29 177.543 177.543 177.540 0.003 19673
151 1 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.210 -0.004 19673
152 1 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.081 0.985 19673
153 1 . 1 1 29 29 PHE H H 29 8.868 8.868 8.354 0.514 19673
154 1 . 1 1 30 30 LYS N N 30 118.519 118.519 119.256 -0.737 19673
155 1 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.078 -0.084 19673
156 1 . 1 1 30 30 LYS C C 30 179.148 179.148 178.312 0.836 19673
157 1 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.805 -0.974 19673
158 1 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.559 -1.440 19673
159 1 . 1 1 30 30 LYS H H 30 8.437 8.437 7.934 0.503 19673
160 1 . 1 1 31 31 ARG N N 31 118.783 118.783 118.941 -0.158 19673
161 1 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.765 0.500 19673
162 1 . 1 1 31 31 ARG C C 31 178.041 178.041 178.360 -0.319 19673
163 1 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.818 -1.195 19673
164 1 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.911 -0.083 19673
165 1 . 1 1 31 31 ARG H H 31 8.311 8.311 7.567 0.744 19673
166 1 . 1 1 32 32 TRP N N 32 121.389 121.389 119.998 1.391 19673
167 1 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.290 0.225 19673
168 1 . 1 1 32 32 TRP C C 32 176.935 176.935 178.464 -1.530 19673
169 1 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.138 -0.711 19673
170 1 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.010 -0.107 19673
171 1 . 1 1 32 32 TRP H H 32 8.579 8.579 7.762 0.817 19673
172 1 . 1 1 33 33 ASN N N 33 117.319 117.319 114.605 2.714 19673
173 1 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.707 -0.189 19673
174 1 . 1 1 33 33 ASN C C 33 175.770 175.770 176.239 -0.469 19673
175 1 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.137 -0.018 19673
176 1 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.535 0.452 19673
177 1 . 1 1 33 33 ASN H H 33 8.313 8.313 8.247 0.066 19673
178 1 . 1 1 34 34 SER N N 34 114.896 114.896 114.226 0.670 19673
179 1 . 1 1 34 34 SER HA H 34 4.481 4.481 4.246 0.235 19673
180 1 . 1 1 34 34 SER C C 34 174.852 174.852 175.409 -0.557 19673
181 1 . 1 1 34 34 SER CA C 34 59.319 59.319 60.305 -0.986 19673
182 1 . 1 1 34 34 SER CB C 34 63.433 63.433 63.549 -0.116 19673
183 1 . 1 1 34 34 SER H H 34 7.952 7.952 7.592 0.360 19673
184 1 . 1 1 35 35 SER N N 35 117.172 117.172 112.599 4.573 19673
185 1 . 1 1 35 35 SER HA H 35 4.518 4.518 4.336 0.182 19673
186 1 . 1 1 35 35 SER C C 35 174.485 174.485 174.444 0.041 19673
187 1 . 1 1 35 35 SER CA C 35 58.833 58.833 59.393 -0.560 19673
188 1 . 1 1 35 35 SER CB C 35 63.445 63.445 63.293 0.152 19673
189 1 . 1 1 35 35 SER H H 35 8.094 8.094 7.770 0.323 19673
190 1 . 1 1 36 36 LYS N N 36 122.146 122.146 122.448 -0.302 19673
191 1 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.065 0.309 19673
192 1 . 1 1 36 36 LYS C C 36 176.339 176.339 176.075 0.264 19673
193 1 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.828 -1.631 19673
194 1 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.590 -0.233 19673
195 1 . 1 1 36 36 LYS H H 36 8.011 8.011 7.738 0.273 19673
196 1 . 1 1 37 37 GLN N N 37 120.055 120.055 120.862 -0.807 19673
197 1 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.262 0.156 19673
198 1 . 1 1 37 37 GLN C C 37 175.424 175.424 174.993 0.431 19673
199 1 . 1 1 37 37 GLN CA C 37 55.646 55.646 55.992 -0.346 19673
200 1 . 1 1 37 37 GLN CB C 37 29.129 29.129 29.126 0.003 19673
201 1 . 1 1 37 37 GLN H H 37 8.177 8.177 8.076 0.102 19673
202 1 . 1 1 38 38 ASN N N 38 119.734 119.734 118.897 0.837 19673
203 1 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.674 0.134 19673
204 1 . 1 1 38 38 ASN C C 38 174.550 174.550 174.206 0.344 19673
205 1 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.475 -0.435 19673
206 1 . 1 1 38 38 ASN H H 38 8.379 8.379 8.493 -0.114 19673
207 1 . 1 1 39 39 LYS N N 39 121.900 121.900 121.534 0.366 19673
208 1 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.313 0.137 19673
209 1 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.616 -0.486 19673
210 1 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.150 -0.375 19673
211 1 . 1 1 39 39 LYS H H 39 8.220 8.220 8.276 -0.056 19673
212 1 . 1 1 40 40 GLN N N 40 126.738 126.738 121.082 5.656 19673
213 1 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.378 -0.091 19673
214 1 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.835 1.333 19673
215 1 . 1 1 40 40 GLN CB C 40 30.260 30.260 29.254 1.006 19673
216 1 . 1 1 40 40 GLN H H 40 8.004 8.004 8.275 -0.271 19673
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save_