data_18111
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18111
_Entry.PDB_ID 2LMC
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 18111
_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 LEU N N 27 128.700 128.700 123.101 5.599 18111
2 1 1 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.197 0.861 18111
3 1 1 . 1 1 2 2 LEU C C 27 177.649 177.649 175.732 1.917 18111
4 1 1 . 1 1 2 2 LEU CA C 27 52.539 52.539 54.849 -2.310 18111
5 1 1 . 1 1 2 2 LEU H H 27 8.701 8.701 7.811 0.890 18111
6 1 1 . 1 1 3 3 ALA N N 28 124.154 124.154 126.385 -2.231 18111
7 1 1 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.112 -0.072 18111
8 1 1 . 1 1 3 3 ALA C C 28 179.462 179.462 177.305 2.157 18111
9 1 1 . 1 1 3 3 ALA CA C 28 51.966 51.966 52.938 -0.972 18111
10 1 1 . 1 1 3 3 ALA CB C 28 18.040 18.040 19.465 -1.425 18111
11 1 1 . 1 1 3 3 ALA H H 28 9.243 9.243 8.175 1.068 18111
12 1 1 . 1 1 4 4 GLU N N 29 126.521 126.521 119.372 7.149 18111
13 1 1 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.510 -0.574 18111
14 1 1 . 1 1 4 4 GLU C C 29 175.569 175.569 176.351 -0.782 18111
15 1 1 . 1 1 4 4 GLU CA C 29 57.320 57.320 56.768 0.552 18111
16 1 1 . 1 1 4 4 GLU CB C 29 30.056 30.056 28.116 1.940 18111
17 1 1 . 1 1 4 4 GLU H H 29 8.342 8.342 8.740 -0.398 18111
18 1 1 . 1 1 5 5 ILE N N 30 107.034 107.034 123.556 -16.522 18111
19 1 1 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.064 0.323 18111
20 1 1 . 1 1 5 5 ILE C C 30 172.899 172.899 175.788 -2.889 18111
21 1 1 . 1 1 5 5 ILE CA C 30 58.682 58.682 62.825 -4.144 18111
22 1 1 . 1 1 5 5 ILE CB C 30 42.956 42.956 38.998 3.958 18111
23 1 1 . 1 1 5 5 ILE H H 30 6.701 6.701 8.496 -1.795 18111
24 1 1 . 1 1 6 6 SER N N 31 112.862 112.862 107.420 5.442 18111
25 1 1 . 1 1 6 6 SER HA H 31 4.766 4.766 4.734 0.032 18111
26 1 1 . 1 1 6 6 SER C C 31 174.795 174.795 171.912 2.883 18111
27 1 1 . 1 1 6 6 SER CA C 31 56.389 56.389 55.549 0.840 18111
28 1 1 . 1 1 6 6 SER CB C 31 64.006 64.006 66.933 -2.927 18111
29 1 1 . 1 1 6 6 SER H H 31 7.887 7.887 7.748 0.139 18111
30 1 1 . 1 1 7 7 GLY N N 32 110.064 110.064 105.894 4.170 18111
31 1 1 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.985 -0.387 18111
32 1 1 . 1 1 7 7 GLY C C 32 170.516 170.516 174.755 -4.239 18111
33 1 1 . 1 1 7 7 GLY CA C 32 45.741 45.741 44.703 1.038 18111
34 1 1 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.255 0.733 18111
35 1 1 . 1 1 7 7 GLY H H 32 8.575 8.575 8.215 0.360 18111
36 1 1 . 1 1 8 8 ILE N N 33 120.398 120.398 119.087 1.311 18111
37 1 1 . 1 1 8 8 ILE HA H 33 4.624 4.624 3.894 0.730 18111
38 1 1 . 1 1 8 8 ILE C C 33 177.404 177.404 176.193 1.211 18111
39 1 1 . 1 1 8 8 ILE CA C 33 59.338 59.338 63.032 -3.695 18111
40 1 1 . 1 1 8 8 ILE CB C 33 38.573 38.573 38.339 0.234 18111
41 1 1 . 1 1 8 8 ILE H H 33 8.446 8.446 8.494 -0.048 18111
42 1 1 . 1 1 9 9 VAL N N 34 131.785 131.785 118.227 13.558 18111
43 1 1 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.206 0.494 18111
44 1 1 . 1 1 9 9 VAL C C 34 175.243 175.243 173.688 1.555 18111
45 1 1 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.752 1.876 18111
46 1 1 . 1 1 9 9 VAL CB C 34 32.815 32.815 34.920 -2.105 18111
47 1 1 . 1 1 9 9 VAL H H 34 8.993 8.993 7.530 1.463 18111
48 1 1 . 1 1 10 10 SER N N 35 122.774 122.774 117.138 5.636 18111
49 1 1 . 1 1 10 10 SER HA H 35 4.219 4.219 4.343 -0.124 18111
50 1 1 . 1 1 10 10 SER C C 35 170.515 170.515 172.661 -2.146 18111
51 1 1 . 1 1 10 10 SER CA C 35 58.027 58.027 57.349 0.678 18111
52 1 1 . 1 1 10 10 SER CB C 35 65.234 65.234 63.557 1.677 18111
53 1 1 . 1 1 10 10 SER H H 35 9.670 9.670 7.947 1.723 18111
54 1 1 . 1 1 11 11 PHE N N 36 115.035 115.035 122.071 -7.036 18111
55 1 1 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.693 1.082 18111
56 1 1 . 1 1 11 11 PHE C C 36 177.567 177.567 174.444 3.123 18111
57 1 1 . 1 1 11 11 PHE CA C 36 55.897 55.897 56.242 -0.345 18111
58 1 1 . 1 1 11 11 PHE CB C 36 40.663 40.663 41.770 -1.107 18111
59 1 1 . 1 1 11 11 PHE H H 36 8.500 8.500 7.579 0.921 18111
60 1 1 . 1 1 12 12 GLY N N 37 110.705 110.705 110.056 0.649 18111
61 1 1 . 1 1 12 12 GLY HA H 37 5.473 5.473 4.802 0.671 18111
62 1 1 . 1 1 12 12 GLY C C 37 173.960 173.960 173.379 0.581 18111
63 1 1 . 1 1 12 12 GLY CA C 37 43.611 43.611 44.206 -0.595 18111
64 1 1 . 1 1 12 12 GLY CB C 37 32.225 32.225 31.886 0.339 18111
65 1 1 . 1 1 12 12 GLY H H 37 9.179 9.179 8.719 0.460 18111
66 1 1 . 1 1 13 13 LYS N N 38 123.737 123.737 125.102 -1.365 18111
67 1 1 . 1 1 13 13 LYS HA H 38 4.219 4.219 5.228 -1.009 18111
68 1 1 . 1 1 13 13 LYS C C 38 176.364 176.364 174.642 1.722 18111
69 1 1 . 1 1 13 13 LYS CA C 38 57.371 57.371 55.193 2.179 18111
70 1 1 . 1 1 13 13 LYS CB C 38 32.783 32.783 35.338 -2.555 18111
71 1 1 . 1 1 13 13 LYS H H 38 8.716 8.716 9.130 -0.414 18111
72 1 1 . 1 1 14 14 GLU N N 39 126.129 126.129 126.507 -0.378 18111
73 1 1 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.888 -0.320 18111
74 1 1 . 1 1 14 14 GLU C C 39 177.118 177.118 175.559 1.559 18111
75 1 1 . 1 1 14 14 GLU CA C 39 56.716 56.716 55.251 1.465 18111
76 1 1 . 1 1 14 14 GLU CB C 39 30.571 30.571 30.284 0.287 18111
77 1 1 . 1 1 14 14 GLU H H 39 8.582 8.582 9.129 -0.547 18111
78 1 1 . 1 1 15 15 THR N N 40 117.595 117.595 121.645 -4.050 18111
79 1 1 . 1 1 15 15 THR HA H 40 4.543 4.543 4.522 0.021 18111
80 1 1 . 1 1 15 15 THR C C 40 173.063 173.063 171.998 1.065 18111
81 1 1 . 1 1 15 15 THR CA C 40 61.057 61.057 59.992 1.065 18111
82 1 1 . 1 1 15 15 THR CB C 40 70.968 70.968 71.286 -0.318 18111
83 1 1 . 1 1 15 15 THR H H 40 8.202 8.202 8.905 -0.703 18111
84 1 1 . 1 1 16 16 LYS N N 41 120.682 120.682 124.024 -3.342 18111
85 1 1 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.840 -0.168 18111
86 1 1 . 1 1 16 16 LYS C C 41 176.162 176.162 175.493 0.669 18111
87 1 1 . 1 1 16 16 LYS CA C 41 54.311 54.311 54.406 -0.095 18111
88 1 1 . 1 1 16 16 LYS CB C 41 41.241 41.241 36.381 4.860 18111
89 1 1 . 1 1 16 16 LYS H H 41 9.220 9.220 8.939 0.281 18111
90 1 1 . 1 1 17 17 GLY N N 42 115.021 115.021 115.061 -0.040 18111
91 1 1 . 1 1 17 17 GLY CA C 42 46.396 46.396 44.197 2.199 18111
92 1 1 . 1 1 17 17 GLY H H 42 7.904 7.904 8.946 -1.042 18111
93 1 1 . 1 1 18 18 LYS N N 43 121.239 121.239 120.210 1.029 18111
94 1 1 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.121 0.598 18111
95 1 1 . 1 1 18 18 LYS C C 43 175.095 175.095 175.025 0.070 18111
96 1 1 . 1 1 18 18 LYS CA C 43 54.505 54.505 58.683 -4.178 18111
97 1 1 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.641 2.107 18111
98 1 1 . 1 1 18 18 LYS H H 43 8.323 8.323 8.417 -0.094 18111
99 1 1 . 1 1 19 19 ARG N N 44 118.685 118.685 118.140 0.545 18111
100 1 1 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.321 0.153 18111
101 1 1 . 1 1 19 19 ARG C C 44 174.184 174.184 175.721 -1.537 18111
102 1 1 . 1 1 19 19 ARG CA C 44 54.423 54.423 56.288 -1.865 18111
103 1 1 . 1 1 19 19 ARG CB C 44 32.619 32.619 30.719 1.900 18111
104 1 1 . 1 1 19 19 ARG H H 44 8.936 8.936 7.909 1.027 18111
105 1 1 . 1 1 20 20 ARG N N 45 126.346 126.346 121.478 4.868 18111
106 1 1 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.504 0.554 18111
107 1 1 . 1 1 20 20 ARG C C 45 174.999 174.999 174.902 0.097 18111
108 1 1 . 1 1 20 20 ARG CA C 45 54.095 54.095 56.677 -2.582 18111
109 1 1 . 1 1 20 20 ARG CB C 45 32.298 32.298 31.473 0.825 18111
110 1 1 . 1 1 20 20 ARG H H 45 8.881 8.881 8.037 0.844 18111
111 1 1 . 1 1 21 21 LEU N N 46 130.427 130.427 122.479 7.948 18111
112 1 1 . 1 1 21 21 LEU HA H 46 4.417 4.417 5.158 -0.741 18111
113 1 1 . 1 1 21 21 LEU C C 46 173.593 173.593 175.875 -2.282 18111
114 1 1 . 1 1 21 21 LEU CA C 46 55.324 55.324 54.343 0.981 18111
115 1 1 . 1 1 21 21 LEU CB C 46 43.775 43.775 44.293 -0.518 18111
116 1 1 . 1 1 21 21 LEU H H 46 8.858 8.858 8.692 0.166 18111
117 1 1 . 1 1 22 22 VAL N N 47 127.940 127.940 122.126 5.814 18111
118 1 1 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.717 0.256 18111
119 1 1 . 1 1 22 22 VAL C C 47 175.529 175.529 173.619 1.910 18111
120 1 1 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.647 0.165 18111
121 1 1 . 1 1 22 22 VAL CB C 47 32.946 32.946 34.687 -1.740 18111
122 1 1 . 1 1 22 22 VAL H H 47 8.665 8.665 8.638 0.027 18111
123 1 1 . 1 1 23 23 ILE N N 48 124.228 124.228 120.881 3.347 18111
124 1 1 . 1 1 23 23 ILE HA H 48 4.606 4.606 4.734 -0.128 18111
125 1 1 . 1 1 23 23 ILE C C 48 175.732 175.732 174.676 1.056 18111
126 1 1 . 1 1 23 23 ILE CA C 48 60.730 60.730 60.176 0.554 18111
127 1 1 . 1 1 23 23 ILE CB C 48 39.745 39.745 40.817 -1.072 18111
128 1 1 . 1 1 23 23 ILE H H 48 9.374 9.374 8.578 0.796 18111
129 1 1 . 1 1 24 24 THR N N 49 124.978 124.978 117.854 7.124 18111
130 1 1 . 1 1 24 24 THR HA H 49 4.557 4.557 5.119 -0.562 18111
131 1 1 . 1 1 24 24 THR C C 49 173.572 173.572 171.576 1.996 18111
132 1 1 . 1 1 24 24 THR CA C 49 60.893 60.893 57.930 2.963 18111
133 1 1 . 1 1 24 24 THR CB C 49 69.821 69.821 72.512 -2.691 18111
134 1 1 . 1 1 24 24 THR H H 49 9.018 9.018 9.020 -0.002 18111
135 1 1 . 1 1 25 25 PRO HA H 50 4.804 4.804 4.720 0.084 18111
136 1 1 . 1 1 25 25 PRO C C 50 177.913 177.913 175.673 2.240 18111
137 1 1 . 1 1 25 25 PRO CA C 50 62.777 62.777 61.999 0.778 18111
138 1 1 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.656 2.028 18111
139 1 1 . 1 1 26 26 VAL N N 51 116.090 116.090 120.807 -4.717 18111
140 1 1 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.172 0.028 18111
141 1 1 . 1 1 26 26 VAL C C 51 176.323 176.323 174.831 1.492 18111
142 1 1 . 1 1 26 26 VAL CA C 51 62.777 62.777 60.167 2.610 18111
143 1 1 . 1 1 26 26 VAL CB C 51 31.390 31.390 32.872 -1.482 18111
144 1 1 . 1 1 26 26 VAL H H 51 8.584 8.584 8.658 -0.074 18111
145 1 1 . 1 1 27 27 ASP N N 52 118.508 118.508 125.714 -7.206 18111
146 1 1 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.973 -0.377 18111
147 1 1 . 1 1 27 27 ASP C C 52 177.240 177.240 175.180 2.060 18111
148 1 1 . 1 1 27 27 ASP CA C 52 53.358 53.358 52.688 0.671 18111
149 1 1 . 1 1 27 27 ASP CB C 52 40.826 40.826 41.666 -0.841 18111
150 1 1 . 1 1 27 27 ASP H H 52 7.756 7.756 8.857 -1.101 18111
151 1 1 . 1 1 28 28 GLY N N 53 107.578 107.578 112.941 -5.363 18111
152 1 1 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.852 -0.253 18111
153 1 1 . 1 1 28 28 GLY C C 53 174.652 174.652 173.056 1.596 18111
154 1 1 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.150 1.427 18111
155 1 1 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.550 0.928 18111
156 1 1 . 1 1 28 28 GLY H H 53 7.819 7.819 8.802 -0.983 18111
157 1 1 . 1 1 29 29 SER N N 54 115.662 115.662 113.772 1.890 18111
158 1 1 . 1 1 29 29 SER HA H 54 4.426 4.426 4.826 -0.400 18111
159 1 1 . 1 1 29 29 SER C C 54 172.696 172.696 175.164 -2.468 18111
160 1 1 . 1 1 29 29 SER CA C 54 59.010 59.010 59.262 -0.252 18111
161 1 1 . 1 1 29 29 SER CB C 54 63.596 63.596 64.486 -0.890 18111
162 1 1 . 1 1 29 29 SER H H 54 7.827 7.827 8.930 -1.103 18111
163 1 1 . 1 1 30 30 ASP N N 55 119.004 119.004 121.237 -2.233 18111
164 1 1 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.500 0.306 18111
165 1 1 . 1 1 30 30 ASP C C 55 174.102 174.102 176.701 -2.599 18111
166 1 1 . 1 1 30 30 ASP CA C 55 53.849 53.849 53.239 0.610 18111
167 1 1 . 1 1 30 30 ASP CB C 55 40.335 40.335 42.769 -2.434 18111
168 1 1 . 1 1 30 30 ASP H H 55 8.114 8.114 8.578 -0.464 18111
169 1 1 . 1 1 31 31 PRO N N 56 123.263 123.263 125.250 -1.987 18111
170 1 1 . 1 1 31 31 PRO HA H 56 4.634 4.634 3.781 0.853 18111
171 1 1 . 1 1 31 31 PRO C C 56 175.692 175.692 179.044 -3.352 18111
172 1 1 . 1 1 31 31 PRO CA C 56 62.941 62.941 67.448 -4.507 18111
173 1 1 . 1 1 31 31 PRO CB C 56 32.455 32.455 30.910 1.545 18111
174 1 1 . 1 1 31 31 PRO H H 56 8.869 8.869 8.765 0.104 18111
175 1 1 . 1 1 32 32 TYR N N 57 124.973 124.973 118.466 6.507 18111
176 1 1 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.170 0.417 18111
177 1 1 . 1 1 32 32 TYR C C 57 173.450 173.450 177.839 -4.389 18111
178 1 1 . 1 1 32 32 TYR CA C 57 57.863 57.863 61.506 -3.643 18111
179 1 1 . 1 1 32 32 TYR CB C 57 41.727 41.727 38.047 3.680 18111
180 1 1 . 1 1 32 32 TYR H H 57 8.639 8.639 8.312 0.327 18111
181 1 1 . 1 1 33 33 GLU N N 58 124.075 124.075 119.596 4.479 18111
182 1 1 . 1 1 33 33 GLU HA H 58 5.699 5.699 4.144 1.555 18111
183 1 1 . 1 1 33 33 GLU C C 58 173.980 173.980 178.542 -4.562 18111
184 1 1 . 1 1 33 33 GLU CA C 58 53.686 53.686 59.403 -5.717 18111
185 1 1 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.483 4.774 18111
186 1 1 . 1 1 33 33 GLU H H 58 6.719 6.719 8.358 -1.639 18111
187 1 1 . 1 1 34 34 GLU N N 59 115.961 115.961 119.046 -3.085 18111
188 1 1 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.985 0.932 18111
189 1 1 . 1 1 34 34 GLU C C 59 174.143 174.143 178.263 -4.120 18111
190 1 1 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.245 -3.757 18111
191 1 1 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.604 6.063 18111
192 1 1 . 1 1 34 34 GLU H H 59 8.854 8.854 7.908 0.946 18111
193 1 1 . 1 1 35 35 MET N N 60 117.652 117.652 118.124 -0.472 18111
194 1 1 . 1 1 35 35 MET HA H 60 4.973 4.973 4.014 0.959 18111
195 1 1 . 1 1 35 35 MET C C 60 175.305 175.305 178.205 -2.900 18111
196 1 1 . 1 1 35 35 MET CA C 60 53.849 53.849 58.330 -4.481 18111
197 1 1 . 1 1 35 35 MET CB C 60 34.830 34.830 32.062 2.768 18111
198 1 1 . 1 1 35 35 MET H H 60 8.938 8.938 8.265 0.673 18111
199 1 1 . 1 1 36 36 ILE N N 61 118.458 118.458 119.564 -1.106 18111
200 1 1 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.719 0.774 18111
201 1 1 . 1 1 36 36 ILE C C 61 179.326 179.326 179.179 0.147 18111
202 1 1 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.726 -10.226 18111
203 1 1 . 1 1 36 36 ILE CB C 61 32.420 32.420 37.830 -5.410 18111
204 1 1 . 1 1 36 36 ILE H H 61 8.942 8.942 8.029 0.913 18111
205 1 1 . 1 1 37 37 PRO N N 62 119.807 119.807 120.182 -0.375 18111
206 1 1 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.171 0.155 18111
207 1 1 . 1 1 37 37 PRO C C 62 178.789 178.789 180.034 -1.245 18111
208 1 1 . 1 1 37 37 PRO CA C 62 63.351 63.351 66.162 -2.811 18111
209 1 1 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.529 0.688 18111
210 1 1 . 1 1 37 37 PRO H H 62 8.627 8.627 7.740 0.887 18111
211 1 1 . 1 1 38 38 LYS N N 63 122.363 122.363 119.044 3.319 18111
212 1 1 . 1 1 38 38 LYS HA H 63 3.794 3.794 4.132 -0.338 18111
213 1 1 . 1 1 38 38 LYS C C 63 175.284 175.284 178.373 -3.089 18111
214 1 1 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.526 -0.598 18111
215 1 1 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.506 0.376 18111
216 1 1 . 1 1 38 38 LYS H H 63 8.629 8.629 8.593 0.036 18111
217 1 1 . 1 1 39 39 TRP N N 64 110.966 110.966 119.871 -8.905 18111
218 1 1 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.559 -0.001 18111
219 1 1 . 1 1 39 39 TRP C C 64 177.281 177.281 178.334 -1.053 18111
220 1 1 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.609 -3.630 18111
221 1 1 . 1 1 39 39 TRP CB C 64 28.524 28.524 30.037 -1.512 18111
222 1 1 . 1 1 39 39 TRP H H 64 6.689 6.689 7.353 -0.664 18111
223 1 1 . 1 1 40 40 ARG N N 65 120.429 120.429 119.944 0.485 18111
224 1 1 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.126 0.046 18111
225 1 1 . 1 1 40 40 ARG C C 65 176.059 176.059 178.429 -2.370 18111
226 1 1 . 1 1 40 40 ARG CA C 65 55.324 55.324 59.822 -4.498 18111
227 1 1 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.644 -2.124 18111
228 1 1 . 1 1 40 40 ARG H H 65 6.450 6.450 8.907 -2.457 18111
229 1 1 . 1 1 41 41 GLN N N 66 125.132 125.132 117.787 7.345 18111
230 1 1 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.200 0.085 18111
231 1 1 . 1 1 41 41 GLN C C 66 176.283 176.283 176.922 -0.639 18111
232 1 1 . 1 1 41 41 GLN CA C 66 55.651 55.651 57.796 -2.145 18111
233 1 1 . 1 1 41 41 GLN CB C 66 28.933 28.933 28.629 0.304 18111
234 1 1 . 1 1 41 41 GLN H H 66 9.430 9.430 8.252 1.178 18111
235 1 1 . 1 1 42 42 LEU N N 67 127.081 127.081 117.613 9.468 18111
236 1 1 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.345 0.628 18111
237 1 1 . 1 1 42 42 LEU C C 67 177.179 177.179 178.655 -1.476 18111
238 1 1 . 1 1 42 42 LEU CA C 67 53.686 53.686 57.653 -3.967 18111
239 1 1 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.493 0.445 18111
240 1 1 . 1 1 42 42 LEU H H 67 8.971 8.971 7.672 1.299 18111
241 1 1 . 1 1 43 43 ASN N N 68 118.458 118.458 117.661 0.797 18111
242 1 1 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.135 -0.360 18111
243 1 1 . 1 1 43 43 ASN C C 68 174.265 174.265 175.325 -1.060 18111
244 1 1 . 1 1 43 43 ASN CA C 68 52.950 52.950 56.468 -3.518 18111
245 1 1 . 1 1 43 43 ASN CB C 68 39.499 39.499 36.310 3.189 18111
246 1 1 . 1 1 43 43 ASN H H 68 8.898 8.898 8.533 0.365 18111
247 1 1 . 1 1 44 44 VAL HA H 69 4.813 4.813 4.029 0.784 18111
248 1 1 . 1 1 44 44 VAL C C 69 173.389 173.389 175.563 -2.174 18111
249 1 1 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.743 -5.471 18111
250 1 1 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.665 4.247 18111
251 1 1 . 1 1 45 45 PHE N N 70 118.947 118.947 116.510 2.437 18111
252 1 1 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.685 0.213 18111
253 1 1 . 1 1 45 45 PHE C C 70 174.591 174.591 176.084 -1.493 18111
254 1 1 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.787 -2.218 18111
255 1 1 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.396 2.331 18111
256 1 1 . 1 1 45 45 PHE H H 70 8.261 8.261 7.803 0.458 18111
257 1 1 . 1 1 46 46 GLU N N 71 119.246 119.246 117.843 1.403 18111
258 1 1 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.867 -0.092 18111
259 1 1 . 1 1 46 46 GLU C C 71 177.200 177.200 175.800 1.400 18111
260 1 1 . 1 1 46 46 GLU CA C 71 58.424 58.424 56.256 2.168 18111
261 1 1 . 1 1 46 46 GLU H H 71 8.706 8.706 7.701 1.005 18111
262 1 1 . 1 1 47 47 GLY N N 72 114.762 114.762 109.768 4.994 18111
263 1 1 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.606 0.318 18111
264 1 1 . 1 1 47 47 GLY C C 72 174.204 174.204 173.396 0.808 18111
265 1 1 . 1 1 47 47 GLY CA C 72 44.922 44.922 45.049 -0.127 18111
266 1 1 . 1 1 47 47 GLY CB C 72 42.000 42.000 40.315 1.685 18111
267 1 1 . 1 1 47 47 GLY H H 72 9.345 9.345 7.612 1.733 18111
268 1 1 . 1 1 48 48 GLU N N 73 121.519 121.519 124.007 -2.488 18111
269 1 1 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.734 -0.544 18111
270 1 1 . 1 1 48 48 GLU C C 73 174.836 174.836 175.634 -0.798 18111
271 1 1 . 1 1 48 48 GLU CA C 73 56.880 56.880 54.311 2.569 18111
272 1 1 . 1 1 48 48 GLU CB C 73 30.899 30.899 32.095 -1.196 18111
273 1 1 . 1 1 48 48 GLU H H 73 7.866 7.866 8.478 -0.612 18111
274 1 1 . 1 1 49 49 ARG N N 74 122.680 122.680 123.607 -0.927 18111
275 1 1 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.057 0.813 18111
276 1 1 . 1 1 49 49 ARG C C 74 176.222 176.222 175.963 0.259 18111
277 1 1 . 1 1 49 49 ARG CA C 74 55.488 55.488 56.916 -1.428 18111
278 1 1 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.294 0.851 18111
279 1 1 . 1 1 49 49 ARG H H 74 8.446 8.446 8.875 -0.429 18111
280 1 1 . 1 1 50 50 VAL N N 75 118.810 118.810 125.706 -6.896 18111
281 1 1 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.203 0.535 18111
282 1 1 . 1 1 50 50 VAL C C 75 174.877 174.877 176.033 -1.156 18111
283 1 1 . 1 1 50 50 VAL CA C 75 58.846 58.846 63.817 -4.971 18111
284 1 1 . 1 1 50 50 VAL CB C 75 35.076 35.076 32.815 2.261 18111
285 1 1 . 1 1 50 50 VAL H H 75 9.151 9.151 8.856 0.295 18111
286 1 1 . 1 1 51 51 GLU N N 76 123.487 123.487 120.113 3.374 18111
287 1 1 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.581 0.034 18111
288 1 1 . 1 1 51 51 GLU C C 76 175.631 175.631 173.851 1.780 18111
289 1 1 . 1 1 51 51 GLU CA C 76 53.112 53.112 56.315 -3.203 18111
290 1 1 . 1 1 51 51 GLU CB C 76 31.390 31.390 33.021 -1.631 18111
291 1 1 . 1 1 51 51 GLU H H 76 8.787 8.787 7.788 0.999 18111
292 1 1 . 1 1 52 52 ARG N N 77 122.407 122.407 119.301 3.106 18111
293 1 1 . 1 1 52 52 ARG HA H 77 3.351 3.351 5.305 -1.954 18111
294 1 1 . 1 1 52 52 ARG C C 77 177.220 177.220 174.793 2.427 18111
295 1 1 . 1 1 52 52 ARG CA C 77 57.693 57.693 53.718 3.974 18111
296 1 1 . 1 1 52 52 ARG CB C 77 29.342 29.342 33.970 -4.628 18111
297 1 1 . 1 1 52 52 ARG H H 77 8.160 8.160 8.471 -0.311 18111
298 1 1 . 1 1 53 53 GLY N N 78 116.273 116.273 110.881 5.392 18111
299 1 1 . 1 1 53 53 GLY C C 78 173.715 173.715 172.599 1.116 18111
300 1 1 . 1 1 53 53 GLY CA C 78 44.840 44.840 42.240 2.599 18111
301 1 1 . 1 1 53 53 GLY CB C 78 31.660 31.660 32.949 -1.289 18111
302 1 1 . 1 1 53 53 GLY H H 78 9.194 9.194 9.099 0.095 18111
303 1 1 . 1 1 54 54 ASP HA H 79 4.540 4.540 4.845 -0.305 18111
304 1 1 . 1 1 54 54 ASP C C 79 176.099 176.099 175.148 0.951 18111
305 1 1 . 1 1 54 54 ASP CA C 79 54.669 54.669 54.215 0.454 18111
306 1 1 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.392 -0.566 18111
307 1 1 . 1 1 55 55 VAL N N 80 120.501 120.501 126.673 -6.172 18111
308 1 1 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.369 -0.569 18111
309 1 1 . 1 1 55 55 VAL C C 80 175.957 175.957 175.939 0.018 18111
310 1 1 . 1 1 55 55 VAL CA C 80 64.255 64.255 60.077 4.178 18111
311 1 1 . 1 1 55 55 VAL CB C 80 31.533 31.533 32.004 -0.471 18111
312 1 1 . 1 1 55 55 VAL H H 80 8.658 8.658 8.412 0.246 18111
313 1 1 . 1 1 56 56 ILE N N 81 128.523 128.523 126.023 2.500 18111
314 1 1 . 1 1 56 56 ILE HA H 81 4.228 4.228 3.851 0.377 18111
315 1 1 . 1 1 56 56 ILE C C 81 175.957 175.957 175.198 0.759 18111
316 1 1 . 1 1 56 56 ILE CA C 81 61.785 61.785 62.645 -0.860 18111
317 1 1 . 1 1 56 56 ILE CB C 81 37.300 37.300 38.531 -1.231 18111
318 1 1 . 1 1 56 56 ILE H H 81 8.905 8.905 8.446 0.459 18111
319 1 1 . 1 1 57 57 SER N N 82 112.225 112.225 112.554 -0.329 18111
320 1 1 . 1 1 57 57 SER HA H 82 4.851 4.851 4.290 0.561 18111
321 1 1 . 1 1 57 57 SER C C 82 173.959 173.959 172.691 1.268 18111
322 1 1 . 1 1 57 57 SER CA C 82 57.289 57.289 57.475 -0.186 18111
323 1 1 . 1 1 57 57 SER CB C 82 64.825 64.825 62.065 2.760 18111
324 1 1 . 1 1 57 57 SER H H 82 7.671 7.671 8.283 -0.612 18111
325 1 1 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.531 -0.010 18111
326 1 1 . 1 1 58 58 ASP C C 83 175.427 175.427 174.918 0.509 18111
327 1 1 . 1 1 58 58 ASP CA C 83 55.078 55.078 54.782 0.296 18111
328 1 1 . 1 1 58 58 ASP CB C 83 41.727 41.727 40.978 0.749 18111
329 1 2 . 1 1 2 2 LEU N N 27 128.700 128.700 129.678 -0.978 18111
330 1 2 . 1 1 2 2 LEU HA H 27 5.058 5.058 3.864 1.194 18111
331 1 2 . 1 1 2 2 LEU C C 27 177.649 177.649 176.867 0.782 18111
332 1 2 . 1 1 2 2 LEU CA C 27 52.539 52.539 55.250 -2.711 18111
333 1 2 . 1 1 2 2 LEU H H 27 8.701 8.701 8.539 0.162 18111
334 1 2 . 1 1 3 3 ALA N N 28 124.154 124.154 125.128 -0.974 18111
335 1 2 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.103 -0.063 18111
336 1 2 . 1 1 3 3 ALA C C 28 179.462 179.462 177.499 1.963 18111
337 1 2 . 1 1 3 3 ALA CA C 28 51.966 51.966 53.664 -1.698 18111
338 1 2 . 1 1 3 3 ALA CB C 28 18.040 18.040 19.195 -1.155 18111
339 1 2 . 1 1 3 3 ALA H H 28 9.243 9.243 7.617 1.626 18111
340 1 2 . 1 1 4 4 GLU N N 29 126.521 126.521 119.835 6.686 18111
341 1 2 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.118 -0.182 18111
342 1 2 . 1 1 4 4 GLU C C 29 175.569 175.569 176.148 -0.579 18111
343 1 2 . 1 1 4 4 GLU CA C 29 57.320 57.320 56.383 0.937 18111
344 1 2 . 1 1 4 4 GLU CB C 29 30.056 30.056 29.554 0.502 18111
345 1 2 . 1 1 4 4 GLU H H 29 8.342 8.342 7.692 0.650 18111
346 1 2 . 1 1 5 5 ILE N N 30 107.034 107.034 123.455 -16.421 18111
347 1 2 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.232 0.155 18111
348 1 2 . 1 1 5 5 ILE C C 30 172.899 172.899 175.757 -2.858 18111
349 1 2 . 1 1 5 5 ILE CA C 30 58.682 58.682 60.145 -1.464 18111
350 1 2 . 1 1 5 5 ILE CB C 30 42.956 42.956 39.050 3.906 18111
351 1 2 . 1 1 5 5 ILE H H 30 6.701 6.701 7.974 -1.273 18111
352 1 2 . 1 1 6 6 SER N N 31 112.862 112.862 112.730 0.132 18111
353 1 2 . 1 1 6 6 SER HA H 31 4.766 4.766 4.504 0.262 18111
354 1 2 . 1 1 6 6 SER C C 31 174.795 174.795 173.417 1.378 18111
355 1 2 . 1 1 6 6 SER CA C 31 56.389 56.389 58.080 -1.691 18111
356 1 2 . 1 1 6 6 SER CB C 31 64.006 64.006 65.025 -1.019 18111
357 1 2 . 1 1 6 6 SER H H 31 7.887 7.887 8.021 -0.134 18111
358 1 2 . 1 1 7 7 GLY N N 32 110.064 110.064 105.517 4.547 18111
359 1 2 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.623 -0.025 18111
360 1 2 . 1 1 7 7 GLY C C 32 170.516 170.516 174.484 -3.968 18111
361 1 2 . 1 1 7 7 GLY CA C 32 45.741 45.741 44.875 0.866 18111
362 1 2 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.369 0.619 18111
363 1 2 . 1 1 7 7 GLY H H 32 8.575 8.575 8.324 0.251 18111
364 1 2 . 1 1 8 8 ILE N N 33 120.398 120.398 118.101 2.297 18111
365 1 2 . 1 1 8 8 ILE HA H 33 4.624 4.624 3.870 0.754 18111
366 1 2 . 1 1 8 8 ILE C C 33 177.404 177.404 176.190 1.214 18111
367 1 2 . 1 1 8 8 ILE CA C 33 59.338 59.338 62.670 -3.332 18111
368 1 2 . 1 1 8 8 ILE CB C 33 38.573 38.573 38.287 0.286 18111
369 1 2 . 1 1 8 8 ILE H H 33 8.446 8.446 8.616 -0.170 18111
370 1 2 . 1 1 9 9 VAL N N 34 131.785 131.785 118.595 13.190 18111
371 1 2 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.349 0.351 18111
372 1 2 . 1 1 9 9 VAL C C 34 175.243 175.243 173.314 1.929 18111
373 1 2 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.519 2.109 18111
374 1 2 . 1 1 9 9 VAL CB C 34 32.815 32.815 35.208 -2.393 18111
375 1 2 . 1 1 9 9 VAL H H 34 8.993 8.993 7.611 1.382 18111
376 1 2 . 1 1 10 10 SER N N 35 122.774 122.774 114.278 8.496 18111
377 1 2 . 1 1 10 10 SER HA H 35 4.219 4.219 4.446 -0.227 18111
378 1 2 . 1 1 10 10 SER C C 35 170.515 170.515 171.871 -1.356 18111
379 1 2 . 1 1 10 10 SER CA C 35 58.027 58.027 56.729 1.298 18111
380 1 2 . 1 1 10 10 SER CB C 35 65.234 65.234 65.387 -0.153 18111
381 1 2 . 1 1 10 10 SER H H 35 9.670 9.670 7.905 1.765 18111
382 1 2 . 1 1 11 11 PHE N N 36 115.035 115.035 119.623 -4.588 18111
383 1 2 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.693 1.082 18111
384 1 2 . 1 1 11 11 PHE C C 36 177.567 177.567 174.178 3.389 18111
385 1 2 . 1 1 11 11 PHE CA C 36 55.897 55.897 56.632 -0.735 18111
386 1 2 . 1 1 11 11 PHE CB C 36 40.663 40.663 43.127 -2.464 18111
387 1 2 . 1 1 11 11 PHE H H 36 8.500 8.500 8.126 0.374 18111
388 1 2 . 1 1 12 12 GLY N N 37 110.705 110.705 110.552 0.153 18111
389 1 2 . 1 1 12 12 GLY HA H 37 5.473 5.473 5.020 0.453 18111
390 1 2 . 1 1 12 12 GLY C C 37 173.960 173.960 173.796 0.164 18111
391 1 2 . 1 1 12 12 GLY CA C 37 43.611 43.611 43.967 -0.356 18111
392 1 2 . 1 1 12 12 GLY CB C 37 32.225 32.225 30.900 1.325 18111
393 1 2 . 1 1 12 12 GLY H H 37 9.179 9.179 8.697 0.482 18111
394 1 2 . 1 1 13 13 LYS N N 38 123.737 123.737 127.365 -3.628 18111
395 1 2 . 1 1 13 13 LYS HA H 38 4.219 4.219 5.200 -0.981 18111
396 1 2 . 1 1 13 13 LYS C C 38 176.364 176.364 175.132 1.232 18111
397 1 2 . 1 1 13 13 LYS CA C 38 57.371 57.371 54.792 2.579 18111
398 1 2 . 1 1 13 13 LYS CB C 38 32.783 32.783 33.957 -1.174 18111
399 1 2 . 1 1 13 13 LYS H H 38 8.716 8.716 9.521 -0.805 18111
400 1 2 . 1 1 14 14 GLU N N 39 126.129 126.129 127.626 -1.497 18111
401 1 2 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.907 -0.339 18111
402 1 2 . 1 1 14 14 GLU C C 39 177.118 177.118 175.655 1.463 18111
403 1 2 . 1 1 14 14 GLU CA C 39 56.716 56.716 55.210 1.506 18111
404 1 2 . 1 1 14 14 GLU CB C 39 30.571 30.571 29.926 0.645 18111
405 1 2 . 1 1 14 14 GLU H H 39 8.582 8.582 8.656 -0.074 18111
406 1 2 . 1 1 15 15 THR N N 40 117.595 117.595 123.579 -5.984 18111
407 1 2 . 1 1 15 15 THR HA H 40 4.543 4.543 4.467 0.076 18111
408 1 2 . 1 1 15 15 THR C C 40 173.063 173.063 172.434 0.629 18111
409 1 2 . 1 1 15 15 THR CA C 40 61.057 61.057 61.092 -0.035 18111
410 1 2 . 1 1 15 15 THR CB C 40 70.968 70.968 70.349 0.619 18111
411 1 2 . 1 1 15 15 THR H H 40 8.202 8.202 9.210 -1.008 18111
412 1 2 . 1 1 16 16 LYS N N 41 120.682 120.682 126.329 -5.647 18111
413 1 2 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.506 0.166 18111
414 1 2 . 1 1 16 16 LYS C C 41 176.162 176.162 174.731 1.431 18111
415 1 2 . 1 1 16 16 LYS CA C 41 54.311 54.311 55.504 -1.192 18111
416 1 2 . 1 1 16 16 LYS CB C 41 41.241 41.241 35.395 5.846 18111
417 1 2 . 1 1 16 16 LYS H H 41 9.220 9.220 8.701 0.519 18111
418 1 2 . 1 1 17 17 GLY N N 42 115.021 115.021 113.001 2.020 18111
419 1 2 . 1 1 17 17 GLY CA C 42 46.396 46.396 43.935 2.461 18111
420 1 2 . 1 1 17 17 GLY H H 42 7.904 7.904 8.594 -0.690 18111
421 1 2 . 1 1 18 18 LYS N N 43 121.239 121.239 123.233 -1.994 18111
422 1 2 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.049 0.670 18111
423 1 2 . 1 1 18 18 LYS C C 43 175.095 175.095 175.500 -0.405 18111
424 1 2 . 1 1 18 18 LYS CA C 43 54.505 54.505 59.249 -4.744 18111
425 1 2 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.534 2.214 18111
426 1 2 . 1 1 18 18 LYS H H 43 8.323 8.323 8.676 -0.353 18111
427 1 2 . 1 1 19 19 ARG N N 44 118.685 118.685 122.016 -3.331 18111
428 1 2 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.072 0.402 18111
429 1 2 . 1 1 19 19 ARG C C 44 174.184 174.184 175.641 -1.457 18111
430 1 2 . 1 1 19 19 ARG CA C 44 54.423 54.423 57.080 -2.657 18111
431 1 2 . 1 1 19 19 ARG CB C 44 32.619 32.619 30.937 1.682 18111
432 1 2 . 1 1 19 19 ARG H H 44 8.936 8.936 8.273 0.663 18111
433 1 2 . 1 1 20 20 ARG N N 45 126.346 126.346 117.245 9.101 18111
434 1 2 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.591 0.467 18111
435 1 2 . 1 1 20 20 ARG C C 45 174.999 174.999 174.530 0.469 18111
436 1 2 . 1 1 20 20 ARG CA C 45 54.095 54.095 55.725 -1.630 18111
437 1 2 . 1 1 20 20 ARG CB C 45 32.298 32.298 33.905 -1.607 18111
438 1 2 . 1 1 20 20 ARG H H 45 8.881 8.881 8.106 0.775 18111
439 1 2 . 1 1 21 21 LEU N N 46 130.427 130.427 122.872 7.555 18111
440 1 2 . 1 1 21 21 LEU HA H 46 4.417 4.417 4.948 -0.531 18111
441 1 2 . 1 1 21 21 LEU C C 46 173.593 173.593 175.556 -1.963 18111
442 1 2 . 1 1 21 21 LEU CA C 46 55.324 55.324 54.480 0.844 18111
443 1 2 . 1 1 21 21 LEU CB C 46 43.775 43.775 43.525 0.250 18111
444 1 2 . 1 1 21 21 LEU H H 46 8.858 8.858 8.674 0.184 18111
445 1 2 . 1 1 22 22 VAL N N 47 127.940 127.940 121.726 6.214 18111
446 1 2 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.538 0.435 18111
447 1 2 . 1 1 22 22 VAL C C 47 175.529 175.529 173.308 2.221 18111
448 1 2 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.729 0.082 18111
449 1 2 . 1 1 22 22 VAL CB C 47 32.946 32.946 34.262 -1.316 18111
450 1 2 . 1 1 22 22 VAL H H 47 8.665 8.665 8.516 0.149 18111
451 1 2 . 1 1 23 23 ILE N N 48 124.228 124.228 122.631 1.597 18111
452 1 2 . 1 1 23 23 ILE HA H 48 4.606 4.606 4.571 0.035 18111
453 1 2 . 1 1 23 23 ILE C C 48 175.732 175.732 174.521 1.211 18111
454 1 2 . 1 1 23 23 ILE CA C 48 60.730 60.730 59.971 0.759 18111
455 1 2 . 1 1 23 23 ILE CB C 48 39.745 39.745 39.880 -0.135 18111
456 1 2 . 1 1 23 23 ILE H H 48 9.374 9.374 8.558 0.816 18111
457 1 2 . 1 1 24 24 THR N N 49 124.978 124.978 122.047 2.931 18111
458 1 2 . 1 1 24 24 THR HA H 49 4.557 4.557 5.148 -0.591 18111
459 1 2 . 1 1 24 24 THR C C 49 173.572 173.572 171.972 1.600 18111
460 1 2 . 1 1 24 24 THR CA C 49 60.893 60.893 58.263 2.630 18111
461 1 2 . 1 1 24 24 THR CB C 49 69.821 69.821 72.516 -2.695 18111
462 1 2 . 1 1 24 24 THR H H 49 9.018 9.018 9.218 -0.200 18111
463 1 2 . 1 1 25 25 PRO HA H 50 4.804 4.804 5.070 -0.266 18111
464 1 2 . 1 1 25 25 PRO C C 50 177.913 177.913 176.148 1.765 18111
465 1 2 . 1 1 25 25 PRO CA C 50 62.777 62.777 62.285 0.492 18111
466 1 2 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.815 1.869 18111
467 1 2 . 1 1 26 26 VAL N N 51 116.090 116.090 120.693 -4.603 18111
468 1 2 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.457 -0.257 18111
469 1 2 . 1 1 26 26 VAL C C 51 176.323 176.323 175.319 1.004 18111
470 1 2 . 1 1 26 26 VAL CA C 51 62.777 62.777 60.350 2.427 18111
471 1 2 . 1 1 26 26 VAL CB C 51 31.390 31.390 32.544 -1.154 18111
472 1 2 . 1 1 26 26 VAL H H 51 8.584 8.584 8.130 0.454 18111
473 1 2 . 1 1 27 27 ASP N N 52 118.508 118.508 127.061 -8.553 18111
474 1 2 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.839 -0.243 18111
475 1 2 . 1 1 27 27 ASP C C 52 177.240 177.240 175.191 2.049 18111
476 1 2 . 1 1 27 27 ASP CA C 52 53.358 53.358 53.605 -0.247 18111
477 1 2 . 1 1 27 27 ASP CB C 52 40.826 40.826 41.047 -0.221 18111
478 1 2 . 1 1 27 27 ASP H H 52 7.756 7.756 9.067 -1.311 18111
479 1 2 . 1 1 28 28 GLY N N 53 107.578 107.578 113.568 -5.990 18111
480 1 2 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.689 -0.090 18111
481 1 2 . 1 1 28 28 GLY C C 53 174.652 174.652 173.565 1.087 18111
482 1 2 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.509 1.068 18111
483 1 2 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.590 0.888 18111
484 1 2 . 1 1 28 28 GLY H H 53 7.819 7.819 8.328 -0.509 18111
485 1 2 . 1 1 29 29 SER N N 54 115.662 115.662 112.732 2.930 18111
486 1 2 . 1 1 29 29 SER HA H 54 4.426 4.426 4.351 0.075 18111
487 1 2 . 1 1 29 29 SER C C 54 172.696 172.696 174.934 -2.238 18111
488 1 2 . 1 1 29 29 SER CA C 54 59.010 59.010 60.528 -1.518 18111
489 1 2 . 1 1 29 29 SER CB C 54 63.596 63.596 63.798 -0.202 18111
490 1 2 . 1 1 29 29 SER H H 54 7.827 7.827 8.544 -0.717 18111
491 1 2 . 1 1 30 30 ASP N N 55 119.004 119.004 114.008 4.996 18111
492 1 2 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.737 0.069 18111
493 1 2 . 1 1 30 30 ASP C C 55 174.102 174.102 176.743 -2.641 18111
494 1 2 . 1 1 30 30 ASP CA C 55 53.849 53.849 51.559 2.290 18111
495 1 2 . 1 1 30 30 ASP CB C 55 40.335 40.335 43.833 -3.498 18111
496 1 2 . 1 1 30 30 ASP H H 55 8.114 8.114 7.674 0.440 18111
497 1 2 . 1 1 31 31 PRO N N 56 123.263 123.263 122.775 0.488 18111
498 1 2 . 1 1 31 31 PRO HA H 56 4.634 4.634 4.117 0.517 18111
499 1 2 . 1 1 31 31 PRO C C 56 175.692 175.692 178.847 -3.155 18111
500 1 2 . 1 1 31 31 PRO CA C 56 62.941 62.941 66.800 -3.859 18111
501 1 2 . 1 1 31 31 PRO CB C 56 32.455 32.455 30.941 1.514 18111
502 1 2 . 1 1 31 31 PRO H H 56 8.869 8.869 8.834 0.035 18111
503 1 2 . 1 1 32 32 TYR N N 57 124.973 124.973 117.869 7.104 18111
504 1 2 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.136 0.451 18111
505 1 2 . 1 1 32 32 TYR C C 57 173.450 173.450 178.559 -5.109 18111
506 1 2 . 1 1 32 32 TYR CA C 57 57.863 57.863 62.001 -4.138 18111
507 1 2 . 1 1 32 32 TYR CB C 57 41.727 41.727 37.822 3.905 18111
508 1 2 . 1 1 32 32 TYR H H 57 8.639 8.639 8.446 0.193 18111
509 1 2 . 1 1 33 33 GLU N N 58 124.075 124.075 120.140 3.935 18111
510 1 2 . 1 1 33 33 GLU HA H 58 5.699 5.699 3.994 1.705 18111
511 1 2 . 1 1 33 33 GLU C C 58 173.980 173.980 178.374 -4.394 18111
512 1 2 . 1 1 33 33 GLU CA C 58 53.686 53.686 59.020 -5.334 18111
513 1 2 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.519 4.738 18111
514 1 2 . 1 1 33 33 GLU H H 58 6.719 6.719 7.506 -0.787 18111
515 1 2 . 1 1 34 34 GLU N N 59 115.961 115.961 119.318 -3.357 18111
516 1 2 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.836 1.081 18111
517 1 2 . 1 1 34 34 GLU C C 59 174.143 174.143 178.323 -4.180 18111
518 1 2 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.304 -3.816 18111
519 1 2 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.109 6.558 18111
520 1 2 . 1 1 34 34 GLU H H 59 8.854 8.854 7.817 1.037 18111
521 1 2 . 1 1 35 35 MET N N 60 117.652 117.652 117.741 -0.089 18111
522 1 2 . 1 1 35 35 MET HA H 60 4.973 4.973 4.034 0.939 18111
523 1 2 . 1 1 35 35 MET C C 60 175.305 175.305 178.308 -3.003 18111
524 1 2 . 1 1 35 35 MET CA C 60 53.849 53.849 58.650 -4.801 18111
525 1 2 . 1 1 35 35 MET CB C 60 34.830 34.830 32.357 2.473 18111
526 1 2 . 1 1 35 35 MET H H 60 8.938 8.938 8.361 0.577 18111
527 1 2 . 1 1 36 36 ILE N N 61 118.458 118.458 119.262 -0.804 18111
528 1 2 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.920 0.574 18111
529 1 2 . 1 1 36 36 ILE C C 61 179.326 179.326 179.305 0.021 18111
530 1 2 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.259 -9.759 18111
531 1 2 . 1 1 36 36 ILE CB C 61 32.420 32.420 38.011 -5.591 18111
532 1 2 . 1 1 36 36 ILE H H 61 8.942 8.942 7.518 1.424 18111
533 1 2 . 1 1 37 37 PRO N N 62 119.807 119.807 120.887 -1.080 18111
534 1 2 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.177 0.149 18111
535 1 2 . 1 1 37 37 PRO C C 62 178.789 178.789 179.690 -0.901 18111
536 1 2 . 1 1 37 37 PRO CA C 62 63.351 63.351 66.138 -2.787 18111
537 1 2 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.573 0.644 18111
538 1 2 . 1 1 37 37 PRO H H 62 8.627 8.627 8.545 0.082 18111
539 1 2 . 1 1 38 38 LYS N N 63 122.363 122.363 118.296 4.067 18111
540 1 2 . 1 1 38 38 LYS HA H 63 3.794 3.794 4.115 -0.321 18111
541 1 2 . 1 1 38 38 LYS C C 63 175.284 175.284 177.769 -2.485 18111
542 1 2 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.401 -0.473 18111
543 1 2 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.679 0.203 18111
544 1 2 . 1 1 38 38 LYS H H 63 8.629 8.629 8.486 0.143 18111
545 1 2 . 1 1 39 39 TRP N N 64 110.966 110.966 119.785 -8.819 18111
546 1 2 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.559 -0.001 18111
547 1 2 . 1 1 39 39 TRP C C 64 177.281 177.281 178.138 -0.857 18111
548 1 2 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.564 -3.585 18111
549 1 2 . 1 1 39 39 TRP CB C 64 28.524 28.524 30.144 -1.620 18111
550 1 2 . 1 1 39 39 TRP H H 64 6.689 6.689 7.469 -0.780 18111
551 1 2 . 1 1 40 40 ARG N N 65 120.429 120.429 119.757 0.672 18111
552 1 2 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.185 -0.013 18111
553 1 2 . 1 1 40 40 ARG C C 65 176.059 176.059 178.396 -2.337 18111
554 1 2 . 1 1 40 40 ARG CA C 65 55.324 55.324 59.466 -4.142 18111
555 1 2 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.817 -2.296 18111
556 1 2 . 1 1 40 40 ARG H H 65 6.450 6.450 8.693 -2.243 18111
557 1 2 . 1 1 41 41 GLN N N 66 125.132 125.132 117.311 7.821 18111
558 1 2 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.197 0.088 18111
559 1 2 . 1 1 41 41 GLN C C 66 176.283 176.283 176.890 -0.607 18111
560 1 2 . 1 1 41 41 GLN CA C 66 55.651 55.651 58.266 -2.615 18111
561 1 2 . 1 1 41 41 GLN CB C 66 28.933 28.933 29.398 -0.465 18111
562 1 2 . 1 1 41 41 GLN H H 66 9.430 9.430 8.523 0.907 18111
563 1 2 . 1 1 42 42 LEU N N 67 127.081 127.081 117.141 9.940 18111
564 1 2 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.287 0.686 18111
565 1 2 . 1 1 42 42 LEU C C 67 177.179 177.179 178.883 -1.704 18111
566 1 2 . 1 1 42 42 LEU CA C 67 53.686 53.686 57.544 -3.858 18111
567 1 2 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.664 0.275 18111
568 1 2 . 1 1 42 42 LEU H H 67 8.971 8.971 7.718 1.253 18111
569 1 2 . 1 1 43 43 ASN N N 68 118.458 118.458 117.882 0.576 18111
570 1 2 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.139 -0.364 18111
571 1 2 . 1 1 43 43 ASN C C 68 174.265 174.265 175.065 -0.800 18111
572 1 2 . 1 1 43 43 ASN CA C 68 52.950 52.950 56.544 -3.595 18111
573 1 2 . 1 1 43 43 ASN CB C 68 39.499 39.499 36.298 3.201 18111
574 1 2 . 1 1 43 43 ASN H H 68 8.898 8.898 8.573 0.325 18111
575 1 2 . 1 1 44 44 VAL HA H 69 4.813 4.813 4.039 0.774 18111
576 1 2 . 1 1 44 44 VAL C C 69 173.389 173.389 175.233 -1.844 18111
577 1 2 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.315 -5.043 18111
578 1 2 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.550 4.362 18111
579 1 2 . 1 1 45 45 PHE N N 70 118.947 118.947 117.152 1.795 18111
580 1 2 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.740 0.158 18111
581 1 2 . 1 1 45 45 PHE C C 70 174.591 174.591 175.938 -1.347 18111
582 1 2 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.636 -2.067 18111
583 1 2 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.371 2.356 18111
584 1 2 . 1 1 45 45 PHE H H 70 8.261 8.261 7.756 0.505 18111
585 1 2 . 1 1 46 46 GLU N N 71 119.246 119.246 118.527 0.719 18111
586 1 2 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.894 -0.119 18111
587 1 2 . 1 1 46 46 GLU C C 71 177.200 177.200 175.496 1.704 18111
588 1 2 . 1 1 46 46 GLU CA C 71 58.424 58.424 56.370 2.054 18111
589 1 2 . 1 1 46 46 GLU H H 71 8.706 8.706 7.740 0.966 18111
590 1 2 . 1 1 47 47 GLY N N 72 114.762 114.762 108.329 6.433 18111
591 1 2 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.669 0.255 18111
592 1 2 . 1 1 47 47 GLY C C 72 174.204 174.204 173.472 0.732 18111
593 1 2 . 1 1 47 47 GLY CA C 72 44.922 44.922 44.516 0.406 18111
594 1 2 . 1 1 47 47 GLY CB C 72 42.000 42.000 41.346 0.654 18111
595 1 2 . 1 1 47 47 GLY H H 72 9.345 9.345 7.735 1.610 18111
596 1 2 . 1 1 48 48 GLU N N 73 121.519 121.519 125.230 -3.711 18111
597 1 2 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.731 -0.541 18111
598 1 2 . 1 1 48 48 GLU C C 73 174.836 174.836 175.176 -0.340 18111
599 1 2 . 1 1 48 48 GLU CA C 73 56.880 56.880 54.053 2.827 18111
600 1 2 . 1 1 48 48 GLU CB C 73 30.899 30.899 30.935 -0.036 18111
601 1 2 . 1 1 48 48 GLU H H 73 7.866 7.866 8.568 -0.702 18111
602 1 2 . 1 1 49 49 ARG N N 74 122.680 122.680 123.623 -0.943 18111
603 1 2 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.268 0.602 18111
604 1 2 . 1 1 49 49 ARG C C 74 176.222 176.222 176.091 0.131 18111
605 1 2 . 1 1 49 49 ARG CA C 74 55.488 55.488 56.085 -0.597 18111
606 1 2 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.702 0.443 18111
607 1 2 . 1 1 49 49 ARG H H 74 8.446 8.446 8.683 -0.237 18111
608 1 2 . 1 1 50 50 VAL N N 75 118.810 118.810 125.910 -7.100 18111
609 1 2 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.163 0.575 18111
610 1 2 . 1 1 50 50 VAL C C 75 174.877 174.877 176.421 -1.544 18111
611 1 2 . 1 1 50 50 VAL CA C 75 58.846 58.846 64.027 -5.181 18111
612 1 2 . 1 1 50 50 VAL CB C 75 35.076 35.076 32.561 2.515 18111
613 1 2 . 1 1 50 50 VAL H H 75 9.151 9.151 8.813 0.338 18111
614 1 2 . 1 1 51 51 GLU N N 76 123.487 123.487 118.381 5.106 18111
615 1 2 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.763 -0.148 18111
616 1 2 . 1 1 51 51 GLU C C 76 175.631 175.631 174.199 1.432 18111
617 1 2 . 1 1 51 51 GLU CA C 76 53.112 53.112 55.546 -2.434 18111
618 1 2 . 1 1 51 51 GLU CB C 76 31.390 31.390 34.018 -2.628 18111
619 1 2 . 1 1 51 51 GLU H H 76 8.787 8.787 7.848 0.939 18111
620 1 2 . 1 1 52 52 ARG N N 77 122.407 122.407 120.056 2.351 18111
621 1 2 . 1 1 52 52 ARG HA H 77 3.351 3.351 5.383 -2.032 18111
622 1 2 . 1 1 52 52 ARG C C 77 177.220 177.220 174.376 2.844 18111
623 1 2 . 1 1 52 52 ARG CA C 77 57.693 57.693 53.890 3.803 18111
624 1 2 . 1 1 52 52 ARG CB C 77 29.342 29.342 34.025 -4.683 18111
625 1 2 . 1 1 52 52 ARG H H 77 8.160 8.160 8.392 -0.232 18111
626 1 2 . 1 1 53 53 GLY N N 78 116.273 116.273 115.933 0.340 18111
627 1 2 . 1 1 53 53 GLY C C 78 173.715 173.715 172.643 1.072 18111
628 1 2 . 1 1 53 53 GLY CA C 78 44.840 44.840 41.639 3.201 18111
629 1 2 . 1 1 53 53 GLY CB C 78 31.660 31.660 33.297 -1.637 18111
630 1 2 . 1 1 53 53 GLY H H 78 9.194 9.194 9.012 0.182 18111
631 1 2 . 1 1 54 54 ASP HA H 79 4.540 4.540 4.826 -0.286 18111
632 1 2 . 1 1 54 54 ASP C C 79 176.099 176.099 175.300 0.799 18111
633 1 2 . 1 1 54 54 ASP CA C 79 54.669 54.669 54.166 0.503 18111
634 1 2 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.622 -0.796 18111
635 1 2 . 1 1 55 55 VAL N N 80 120.501 120.501 126.128 -5.627 18111
636 1 2 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.177 -0.377 18111
637 1 2 . 1 1 55 55 VAL C C 80 175.957 175.957 175.120 0.837 18111
638 1 2 . 1 1 55 55 VAL CA C 80 64.255 64.255 62.296 1.959 18111
639 1 2 . 1 1 55 55 VAL CB C 80 31.533 31.533 30.044 1.489 18111
640 1 2 . 1 1 55 55 VAL H H 80 8.658 8.658 7.930 0.728 18111
641 1 2 . 1 1 56 56 ILE N N 81 128.523 128.523 127.103 1.420 18111
642 1 2 . 1 1 56 56 ILE HA H 81 4.228 4.228 4.418 -0.190 18111
643 1 2 . 1 1 56 56 ILE C C 81 175.957 175.957 174.798 1.159 18111
644 1 2 . 1 1 56 56 ILE CA C 81 61.785 61.785 60.101 1.684 18111
645 1 2 . 1 1 56 56 ILE CB C 81 37.300 37.300 41.380 -4.080 18111
646 1 2 . 1 1 56 56 ILE H H 81 8.905 8.905 7.730 1.175 18111
647 1 2 . 1 1 57 57 SER N N 82 112.225 112.225 124.210 -11.985 18111
648 1 2 . 1 1 57 57 SER HA H 82 4.851 4.851 4.951 -0.100 18111
649 1 2 . 1 1 57 57 SER C C 82 173.959 173.959 172.282 1.677 18111
650 1 2 . 1 1 57 57 SER CA C 82 57.289 57.289 56.082 1.207 18111
651 1 2 . 1 1 57 57 SER CB C 82 64.825 64.825 63.137 1.688 18111
652 1 2 . 1 1 57 57 SER H H 82 7.671 7.671 8.626 -0.955 18111
653 1 2 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.746 -0.225 18111
654 1 2 . 1 1 58 58 ASP C C 83 175.427 175.427 174.984 0.443 18111
655 1 2 . 1 1 58 58 ASP CA C 83 55.078 55.078 53.769 1.309 18111
656 1 2 . 1 1 58 58 ASP CB C 83 41.727 41.727 40.273 1.454 18111
657 1 3 . 1 1 2 2 LEU N N 27 128.700 128.700 123.909 4.791 18111
658 1 3 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.406 0.652 18111
659 1 3 . 1 1 2 2 LEU C C 27 177.649 177.649 174.905 2.744 18111
660 1 3 . 1 1 2 2 LEU CA C 27 52.539 52.539 54.927 -2.388 18111
661 1 3 . 1 1 2 2 LEU H H 27 8.701 8.701 8.204 0.497 18111
662 1 3 . 1 1 3 3 ALA N N 28 124.154 124.154 124.381 -0.227 18111
663 1 3 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.464 -0.424 18111
664 1 3 . 1 1 3 3 ALA C C 28 179.462 179.462 175.934 3.528 18111
665 1 3 . 1 1 3 3 ALA CA C 28 51.966 51.966 50.806 1.161 18111
666 1 3 . 1 1 3 3 ALA CB C 28 18.040 18.040 21.072 -3.032 18111
667 1 3 . 1 1 3 3 ALA H H 28 9.243 9.243 8.011 1.232 18111
668 1 3 . 1 1 4 4 GLU N N 29 126.521 126.521 118.884 7.637 18111
669 1 3 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.814 -0.878 18111
670 1 3 . 1 1 4 4 GLU C C 29 175.569 175.569 176.047 -0.478 18111
671 1 3 . 1 1 4 4 GLU CA C 29 57.320 57.320 55.369 1.951 18111
672 1 3 . 1 1 4 4 GLU CB C 29 30.056 30.056 32.339 -2.283 18111
673 1 3 . 1 1 4 4 GLU H H 29 8.342 8.342 8.401 -0.059 18111
674 1 3 . 1 1 5 5 ILE N N 30 107.034 107.034 120.810 -13.776 18111
675 1 3 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.567 -0.180 18111
676 1 3 . 1 1 5 5 ILE C C 30 172.899 172.899 176.291 -3.392 18111
677 1 3 . 1 1 5 5 ILE CA C 30 58.682 58.682 60.801 -2.119 18111
678 1 3 . 1 1 5 5 ILE CB C 30 42.956 42.956 39.352 3.604 18111
679 1 3 . 1 1 5 5 ILE H H 30 6.701 6.701 8.362 -1.661 18111
680 1 3 . 1 1 6 6 SER N N 31 112.862 112.862 116.571 -3.709 18111
681 1 3 . 1 1 6 6 SER HA H 31 4.766 4.766 3.983 0.783 18111
682 1 3 . 1 1 6 6 SER C C 31 174.795 174.795 174.149 0.646 18111
683 1 3 . 1 1 6 6 SER CA C 31 56.389 56.389 60.195 -3.806 18111
684 1 3 . 1 1 6 6 SER CB C 31 64.006 64.006 62.279 1.727 18111
685 1 3 . 1 1 6 6 SER H H 31 7.887 7.887 8.976 -1.089 18111
686 1 3 . 1 1 7 7 GLY N N 32 110.064 110.064 110.995 -0.931 18111
687 1 3 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.492 0.106 18111
688 1 3 . 1 1 7 7 GLY C C 32 170.516 170.516 174.747 -4.231 18111
689 1 3 . 1 1 7 7 GLY CA C 32 45.741 45.741 46.579 -0.838 18111
690 1 3 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.042 0.946 18111
691 1 3 . 1 1 7 7 GLY H H 32 8.575 8.575 8.409 0.166 18111
692 1 3 . 1 1 8 8 ILE N N 33 120.398 120.398 120.113 0.285 18111
693 1 3 . 1 1 8 8 ILE HA H 33 4.624 4.624 4.167 0.457 18111
694 1 3 . 1 1 8 8 ILE C C 33 177.404 177.404 176.204 1.200 18111
695 1 3 . 1 1 8 8 ILE CA C 33 59.338 59.338 61.743 -2.405 18111
696 1 3 . 1 1 8 8 ILE CB C 33 38.573 38.573 39.941 -1.368 18111
697 1 3 . 1 1 8 8 ILE H H 33 8.446 8.446 8.247 0.199 18111
698 1 3 . 1 1 9 9 VAL N N 34 131.785 131.785 120.327 11.458 18111
699 1 3 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.368 0.332 18111
700 1 3 . 1 1 9 9 VAL C C 34 175.243 175.243 173.687 1.556 18111
701 1 3 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.556 2.072 18111
702 1 3 . 1 1 9 9 VAL CB C 34 32.815 32.815 34.603 -1.788 18111
703 1 3 . 1 1 9 9 VAL H H 34 8.993 8.993 7.424 1.569 18111
704 1 3 . 1 1 10 10 SER N N 35 122.774 122.774 114.537 8.237 18111
705 1 3 . 1 1 10 10 SER HA H 35 4.219 4.219 4.522 -0.303 18111
706 1 3 . 1 1 10 10 SER C C 35 170.515 170.515 172.432 -1.917 18111
707 1 3 . 1 1 10 10 SER CA C 35 58.027 58.027 56.800 1.227 18111
708 1 3 . 1 1 10 10 SER CB C 35 65.234 65.234 66.062 -0.828 18111
709 1 3 . 1 1 10 10 SER H H 35 9.670 9.670 8.185 1.485 18111
710 1 3 . 1 1 11 11 PHE N N 36 115.035 115.035 120.536 -5.501 18111
711 1 3 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.943 0.832 18111
712 1 3 . 1 1 11 11 PHE C C 36 177.567 177.567 174.111 3.456 18111
713 1 3 . 1 1 11 11 PHE CA C 36 55.897 55.897 56.483 -0.586 18111
714 1 3 . 1 1 11 11 PHE CB C 36 40.663 40.663 42.295 -1.632 18111
715 1 3 . 1 1 11 11 PHE H H 36 8.500 8.500 7.771 0.729 18111
716 1 3 . 1 1 12 12 GLY N N 37 110.705 110.705 111.352 -0.647 18111
717 1 3 . 1 1 12 12 GLY HA H 37 5.473 5.473 4.965 0.508 18111
718 1 3 . 1 1 12 12 GLY C C 37 173.960 173.960 173.654 0.306 18111
719 1 3 . 1 1 12 12 GLY CA C 37 43.611 43.611 44.127 -0.516 18111
720 1 3 . 1 1 12 12 GLY CB C 37 32.225 32.225 30.162 2.063 18111
721 1 3 . 1 1 12 12 GLY H H 37 9.179 9.179 9.233 -0.054 18111
722 1 3 . 1 1 13 13 LYS N N 38 123.737 123.737 126.463 -2.726 18111
723 1 3 . 1 1 13 13 LYS HA H 38 4.219 4.219 4.995 -0.776 18111
724 1 3 . 1 1 13 13 LYS C C 38 176.364 176.364 175.146 1.218 18111
725 1 3 . 1 1 13 13 LYS CA C 38 57.371 57.371 54.770 2.601 18111
726 1 3 . 1 1 13 13 LYS CB C 38 32.783 32.783 34.507 -1.724 18111
727 1 3 . 1 1 13 13 LYS H H 38 8.716 8.716 9.331 -0.615 18111
728 1 3 . 1 1 14 14 GLU N N 39 126.129 126.129 127.494 -1.365 18111
729 1 3 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.997 -0.429 18111
730 1 3 . 1 1 14 14 GLU C C 39 177.118 177.118 175.336 1.782 18111
731 1 3 . 1 1 14 14 GLU CA C 39 56.716 56.716 55.063 1.653 18111
732 1 3 . 1 1 14 14 GLU CB C 39 30.571 30.571 29.820 0.751 18111
733 1 3 . 1 1 14 14 GLU H H 39 8.582 8.582 8.716 -0.134 18111
734 1 3 . 1 1 15 15 THR N N 40 117.595 117.595 123.134 -5.539 18111
735 1 3 . 1 1 15 15 THR HA H 40 4.543 4.543 4.271 0.272 18111
736 1 3 . 1 1 15 15 THR C C 40 173.063 173.063 172.087 0.976 18111
737 1 3 . 1 1 15 15 THR CA C 40 61.057 61.057 60.265 0.792 18111
738 1 3 . 1 1 15 15 THR CB C 40 70.968 70.968 69.146 1.822 18111
739 1 3 . 1 1 15 15 THR H H 40 8.202 8.202 8.996 -0.794 18111
740 1 3 . 1 1 16 16 LYS N N 41 120.682 120.682 126.117 -5.435 18111
741 1 3 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.472 0.200 18111
742 1 3 . 1 1 16 16 LYS C C 41 176.162 176.162 175.022 1.140 18111
743 1 3 . 1 1 16 16 LYS CA C 41 54.311 54.311 54.589 -0.278 18111
744 1 3 . 1 1 16 16 LYS CB C 41 41.241 41.241 34.178 7.063 18111
745 1 3 . 1 1 16 16 LYS H H 41 9.220 9.220 8.695 0.525 18111
746 1 3 . 1 1 17 17 GLY N N 42 115.021 115.021 115.409 -0.388 18111
747 1 3 . 1 1 17 17 GLY CA C 42 46.396 46.396 44.090 2.306 18111
748 1 3 . 1 1 17 17 GLY H H 42 7.904 7.904 7.952 -0.048 18111
749 1 3 . 1 1 18 18 LYS N N 43 121.239 121.239 118.764 2.475 18111
750 1 3 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.279 0.440 18111
751 1 3 . 1 1 18 18 LYS C C 43 175.095 175.095 174.884 0.211 18111
752 1 3 . 1 1 18 18 LYS CA C 43 54.505 54.505 57.757 -3.252 18111
753 1 3 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.234 2.514 18111
754 1 3 . 1 1 18 18 LYS H H 43 8.323 8.323 8.535 -0.212 18111
755 1 3 . 1 1 19 19 ARG N N 44 118.685 118.685 119.836 -1.151 18111
756 1 3 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.417 0.057 18111
757 1 3 . 1 1 19 19 ARG C C 44 174.184 174.184 175.625 -1.441 18111
758 1 3 . 1 1 19 19 ARG CA C 44 54.423 54.423 56.853 -2.430 18111
759 1 3 . 1 1 19 19 ARG CB C 44 32.619 32.619 32.040 0.579 18111
760 1 3 . 1 1 19 19 ARG H H 44 8.936 8.936 7.595 1.341 18111
761 1 3 . 1 1 20 20 ARG N N 45 126.346 126.346 118.740 7.606 18111
762 1 3 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.508 0.550 18111
763 1 3 . 1 1 20 20 ARG C C 45 174.999 174.999 174.904 0.095 18111
764 1 3 . 1 1 20 20 ARG CA C 45 54.095 54.095 55.753 -1.658 18111
765 1 3 . 1 1 20 20 ARG CB C 45 32.298 32.298 32.973 -0.675 18111
766 1 3 . 1 1 20 20 ARG H H 45 8.881 8.881 8.197 0.683 18111
767 1 3 . 1 1 21 21 LEU N N 46 130.427 130.427 126.605 3.822 18111
768 1 3 . 1 1 21 21 LEU HA H 46 4.417 4.417 4.825 -0.408 18111
769 1 3 . 1 1 21 21 LEU C C 46 173.593 173.593 175.906 -2.313 18111
770 1 3 . 1 1 21 21 LEU CA C 46 55.324 55.324 54.970 0.354 18111
771 1 3 . 1 1 21 21 LEU CB C 46 43.775 43.775 42.865 0.910 18111
772 1 3 . 1 1 21 21 LEU H H 46 8.858 8.858 8.002 0.857 18111
773 1 3 . 1 1 22 22 VAL N N 47 127.940 127.940 119.079 8.861 18111
774 1 3 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.651 0.322 18111
775 1 3 . 1 1 22 22 VAL C C 47 175.529 175.529 173.933 1.596 18111
776 1 3 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.690 0.121 18111
777 1 3 . 1 1 22 22 VAL CB C 47 32.946 32.946 34.815 -1.869 18111
778 1 3 . 1 1 22 22 VAL H H 47 8.665 8.665 8.380 0.285 18111
779 1 3 . 1 1 23 23 ILE N N 48 124.228 124.228 122.342 1.886 18111
780 1 3 . 1 1 23 23 ILE HA H 48 4.606 4.606 5.041 -0.435 18111
781 1 3 . 1 1 23 23 ILE C C 48 175.732 175.732 174.804 0.928 18111
782 1 3 . 1 1 23 23 ILE CA C 48 60.730 60.730 59.760 0.970 18111
783 1 3 . 1 1 23 23 ILE CB C 48 39.745 39.745 39.648 0.097 18111
784 1 3 . 1 1 23 23 ILE H H 48 9.374 9.374 8.508 0.866 18111
785 1 3 . 1 1 24 24 THR N N 49 124.978 124.978 118.829 6.149 18111
786 1 3 . 1 1 24 24 THR HA H 49 4.557 4.557 5.080 -0.523 18111
787 1 3 . 1 1 24 24 THR C C 49 173.572 173.572 171.816 1.756 18111
788 1 3 . 1 1 24 24 THR CA C 49 60.893 60.893 57.986 2.906 18111
789 1 3 . 1 1 24 24 THR CB C 49 69.821 69.821 72.457 -2.635 18111
790 1 3 . 1 1 24 24 THR H H 49 9.018 9.018 8.992 0.026 18111
791 1 3 . 1 1 25 25 PRO HA H 50 4.804 4.804 4.166 0.638 18111
792 1 3 . 1 1 25 25 PRO C C 50 177.913 177.913 175.598 2.315 18111
793 1 3 . 1 1 25 25 PRO CA C 50 62.777 62.777 62.280 0.497 18111
794 1 3 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.232 2.452 18111
795 1 3 . 1 1 26 26 VAL N N 51 116.090 116.090 121.979 -5.889 18111
796 1 3 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.236 -0.036 18111
797 1 3 . 1 1 26 26 VAL C C 51 176.323 176.323 174.649 1.674 18111
798 1 3 . 1 1 26 26 VAL CA C 51 62.777 62.777 60.318 2.459 18111
799 1 3 . 1 1 26 26 VAL CB C 51 31.390 31.390 33.104 -1.714 18111
800 1 3 . 1 1 26 26 VAL H H 51 8.584 8.584 8.856 -0.272 18111
801 1 3 . 1 1 27 27 ASP N N 52 118.508 118.508 125.456 -6.948 18111
802 1 3 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.953 -0.357 18111
803 1 3 . 1 1 27 27 ASP C C 52 177.240 177.240 175.302 1.938 18111
804 1 3 . 1 1 27 27 ASP CA C 52 53.358 53.358 52.721 0.637 18111
805 1 3 . 1 1 27 27 ASP CB C 52 40.826 40.826 42.328 -1.502 18111
806 1 3 . 1 1 27 27 ASP H H 52 7.756 7.756 8.853 -1.097 18111
807 1 3 . 1 1 28 28 GLY N N 53 107.578 107.578 112.955 -5.377 18111
808 1 3 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.851 -0.252 18111
809 1 3 . 1 1 28 28 GLY C C 53 174.652 174.652 173.784 0.868 18111
810 1 3 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.191 1.386 18111
811 1 3 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.549 0.929 18111
812 1 3 . 1 1 28 28 GLY H H 53 7.819 7.819 8.498 -0.679 18111
813 1 3 . 1 1 29 29 SER N N 54 115.662 115.662 112.787 2.875 18111
814 1 3 . 1 1 29 29 SER HA H 54 4.426 4.426 4.513 -0.087 18111
815 1 3 . 1 1 29 29 SER C C 54 172.696 172.696 174.348 -1.652 18111
816 1 3 . 1 1 29 29 SER CA C 54 59.010 59.010 60.185 -1.175 18111
817 1 3 . 1 1 29 29 SER CB C 54 63.596 63.596 63.651 -0.055 18111
818 1 3 . 1 1 29 29 SER H H 54 7.827 7.827 8.806 -0.979 18111
819 1 3 . 1 1 30 30 ASP N N 55 119.004 119.004 116.777 2.227 18111
820 1 3 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.572 0.234 18111
821 1 3 . 1 1 30 30 ASP C C 55 174.102 174.102 176.165 -2.063 18111
822 1 3 . 1 1 30 30 ASP CA C 55 53.849 53.849 52.276 1.573 18111
823 1 3 . 1 1 30 30 ASP CB C 55 40.335 40.335 43.629 -3.294 18111
824 1 3 . 1 1 30 30 ASP H H 55 8.114 8.114 7.656 0.458 18111
825 1 3 . 1 1 31 31 PRO N N 56 123.263 123.263 123.357 -0.094 18111
826 1 3 . 1 1 31 31 PRO HA H 56 4.634 4.634 3.625 1.009 18111
827 1 3 . 1 1 31 31 PRO C C 56 175.692 175.692 178.925 -3.233 18111
828 1 3 . 1 1 31 31 PRO CA C 56 62.941 62.941 66.394 -3.453 18111
829 1 3 . 1 1 31 31 PRO CB C 56 32.455 32.455 30.299 2.156 18111
830 1 3 . 1 1 31 31 PRO H H 56 8.869 8.869 8.661 0.208 18111
831 1 3 . 1 1 32 32 TYR N N 57 124.973 124.973 118.065 6.908 18111
832 1 3 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.115 0.472 18111
833 1 3 . 1 1 32 32 TYR C C 57 173.450 173.450 178.414 -4.964 18111
834 1 3 . 1 1 32 32 TYR CA C 57 57.863 57.863 62.188 -4.325 18111
835 1 3 . 1 1 32 32 TYR CB C 57 41.727 41.727 37.674 4.053 18111
836 1 3 . 1 1 32 32 TYR H H 57 8.639 8.639 8.398 0.241 18111
837 1 3 . 1 1 33 33 GLU N N 58 124.075 124.075 120.160 3.915 18111
838 1 3 . 1 1 33 33 GLU HA H 58 5.699 5.699 3.962 1.737 18111
839 1 3 . 1 1 33 33 GLU C C 58 173.980 173.980 178.135 -4.155 18111
840 1 3 . 1 1 33 33 GLU CA C 58 53.686 53.686 59.104 -5.418 18111
841 1 3 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.098 5.159 18111
842 1 3 . 1 1 33 33 GLU H H 58 6.719 6.719 8.011 -1.292 18111
843 1 3 . 1 1 34 34 GLU N N 59 115.961 115.961 119.897 -3.936 18111
844 1 3 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.898 1.019 18111
845 1 3 . 1 1 34 34 GLU C C 59 174.143 174.143 178.127 -3.984 18111
846 1 3 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.685 -4.197 18111
847 1 3 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.555 6.112 18111
848 1 3 . 1 1 34 34 GLU H H 59 8.854 8.854 7.976 0.878 18111
849 1 3 . 1 1 35 35 MET N N 60 117.652 117.652 117.833 -0.181 18111
850 1 3 . 1 1 35 35 MET HA H 60 4.973 4.973 4.023 0.950 18111
851 1 3 . 1 1 35 35 MET C C 60 175.305 175.305 178.383 -3.078 18111
852 1 3 . 1 1 35 35 MET CA C 60 53.849 53.849 58.424 -4.575 18111
853 1 3 . 1 1 35 35 MET CB C 60 34.830 34.830 32.136 2.694 18111
854 1 3 . 1 1 35 35 MET H H 60 8.938 8.938 8.407 0.531 18111
855 1 3 . 1 1 36 36 ILE N N 61 118.458 118.458 119.766 -1.308 18111
856 1 3 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.841 0.652 18111
857 1 3 . 1 1 36 36 ILE C C 61 179.326 179.326 179.295 0.031 18111
858 1 3 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.635 -10.135 18111
859 1 3 . 1 1 36 36 ILE CB C 61 32.420 32.420 38.052 -5.632 18111
860 1 3 . 1 1 36 36 ILE H H 61 8.942 8.942 8.028 0.914 18111
861 1 3 . 1 1 37 37 PRO N N 62 119.807 119.807 120.578 -0.771 18111
862 1 3 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.094 0.232 18111
863 1 3 . 1 1 37 37 PRO C C 62 178.789 178.789 179.842 -1.053 18111
864 1 3 . 1 1 37 37 PRO CA C 62 63.351 63.351 66.405 -3.054 18111
865 1 3 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.512 0.705 18111
866 1 3 . 1 1 37 37 PRO H H 62 8.627 8.627 8.525 0.102 18111
867 1 3 . 1 1 38 38 LYS N N 63 122.363 122.363 118.655 3.708 18111
868 1 3 . 1 1 38 38 LYS HA H 63 3.794 3.794 4.135 -0.341 18111
869 1 3 . 1 1 38 38 LYS C C 63 175.284 175.284 178.015 -2.731 18111
870 1 3 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.437 -0.509 18111
871 1 3 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.554 0.328 18111
872 1 3 . 1 1 38 38 LYS H H 63 8.629 8.629 8.535 0.094 18111
873 1 3 . 1 1 39 39 TRP N N 64 110.966 110.966 119.793 -8.827 18111
874 1 3 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.552 0.006 18111
875 1 3 . 1 1 39 39 TRP C C 64 177.281 177.281 178.273 -0.992 18111
876 1 3 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.663 -3.684 18111
877 1 3 . 1 1 39 39 TRP CB C 64 28.524 28.524 30.143 -1.619 18111
878 1 3 . 1 1 39 39 TRP H H 64 6.689 6.689 7.338 -0.649 18111
879 1 3 . 1 1 40 40 ARG N N 65 120.429 120.429 120.098 0.331 18111
880 1 3 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.032 0.140 18111
881 1 3 . 1 1 40 40 ARG C C 65 176.059 176.059 178.298 -2.239 18111
882 1 3 . 1 1 40 40 ARG CA C 65 55.324 55.324 60.980 -5.656 18111
883 1 3 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.802 -2.282 18111
884 1 3 . 1 1 40 40 ARG H H 65 6.450 6.450 8.892 -2.442 18111
885 1 3 . 1 1 41 41 GLN N N 66 125.132 125.132 116.898 8.234 18111
886 1 3 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.388 -0.103 18111
887 1 3 . 1 1 41 41 GLN C C 66 176.283 176.283 176.986 -0.703 18111
888 1 3 . 1 1 41 41 GLN CA C 66 55.651 55.651 57.665 -2.014 18111
889 1 3 . 1 1 41 41 GLN CB C 66 28.933 28.933 28.789 0.144 18111
890 1 3 . 1 1 41 41 GLN H H 66 9.430 9.430 8.405 1.025 18111
891 1 3 . 1 1 42 42 LEU N N 67 127.081 127.081 119.607 7.474 18111
892 1 3 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.162 0.811 18111
893 1 3 . 1 1 42 42 LEU C C 67 177.179 177.179 179.213 -2.034 18111
894 1 3 . 1 1 42 42 LEU CA C 67 53.686 53.686 57.675 -3.990 18111
895 1 3 . 1 1 42 42 LEU CB C 67 43.939 43.939 44.016 -0.076 18111
896 1 3 . 1 1 42 42 LEU H H 67 8.971 8.971 7.674 1.297 18111
897 1 3 . 1 1 43 43 ASN N N 68 118.458 118.458 117.459 0.999 18111
898 1 3 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.265 -0.490 18111
899 1 3 . 1 1 43 43 ASN C C 68 174.265 174.265 175.261 -0.996 18111
900 1 3 . 1 1 43 43 ASN CA C 68 52.950 52.950 57.469 -4.519 18111
901 1 3 . 1 1 43 43 ASN CB C 68 39.499 39.499 36.544 2.955 18111
902 1 3 . 1 1 43 43 ASN H H 68 8.898 8.898 8.873 0.025 18111
903 1 3 . 1 1 44 44 VAL HA H 69 4.813 4.813 3.964 0.849 18111
904 1 3 . 1 1 44 44 VAL C C 69 173.389 173.389 175.820 -2.431 18111
905 1 3 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.967 -5.695 18111
906 1 3 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.919 3.993 18111
907 1 3 . 1 1 45 45 PHE N N 70 118.947 118.947 117.264 1.683 18111
908 1 3 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.655 0.243 18111
909 1 3 . 1 1 45 45 PHE C C 70 174.591 174.591 176.005 -1.414 18111
910 1 3 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.730 -2.161 18111
911 1 3 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.279 2.448 18111
912 1 3 . 1 1 45 45 PHE H H 70 8.261 8.261 7.877 0.384 18111
913 1 3 . 1 1 46 46 GLU N N 71 119.246 119.246 118.568 0.678 18111
914 1 3 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.936 -0.161 18111
915 1 3 . 1 1 46 46 GLU C C 71 177.200 177.200 175.111 2.089 18111
916 1 3 . 1 1 46 46 GLU CA C 71 58.424 58.424 56.128 2.296 18111
917 1 3 . 1 1 46 46 GLU H H 71 8.706 8.706 7.851 0.855 18111
918 1 3 . 1 1 47 47 GLY N N 72 114.762 114.762 108.459 6.303 18111
919 1 3 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.739 0.185 18111
920 1 3 . 1 1 47 47 GLY C C 72 174.204 174.204 172.978 1.226 18111
921 1 3 . 1 1 47 47 GLY CA C 72 44.922 44.922 44.129 0.793 18111
922 1 3 . 1 1 47 47 GLY CB C 72 42.000 42.000 41.780 0.220 18111
923 1 3 . 1 1 47 47 GLY H H 72 9.345 9.345 7.603 1.742 18111
924 1 3 . 1 1 48 48 GLU N N 73 121.519 121.519 124.454 -2.935 18111
925 1 3 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.758 -0.568 18111
926 1 3 . 1 1 48 48 GLU C C 73 174.836 174.836 175.009 -0.173 18111
927 1 3 . 1 1 48 48 GLU CA C 73 56.880 56.880 53.789 3.091 18111
928 1 3 . 1 1 48 48 GLU CB C 73 30.899 30.899 31.911 -1.012 18111
929 1 3 . 1 1 48 48 GLU H H 73 7.866 7.866 8.989 -1.123 18111
930 1 3 . 1 1 49 49 ARG N N 74 122.680 122.680 122.688 -0.008 18111
931 1 3 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.326 0.544 18111
932 1 3 . 1 1 49 49 ARG C C 74 176.222 176.222 175.570 0.652 18111
933 1 3 . 1 1 49 49 ARG CA C 74 55.488 55.488 55.115 0.373 18111
934 1 3 . 1 1 49 49 ARG CB C 74 31.145 31.145 31.038 0.107 18111
935 1 3 . 1 1 49 49 ARG H H 74 8.446 8.446 8.726 -0.280 18111
936 1 3 . 1 1 50 50 VAL N N 75 118.810 118.810 120.578 -1.768 18111
937 1 3 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.132 0.606 18111
938 1 3 . 1 1 50 50 VAL C C 75 174.877 174.877 176.050 -1.173 18111
939 1 3 . 1 1 50 50 VAL CA C 75 58.846 58.846 63.402 -4.556 18111
940 1 3 . 1 1 50 50 VAL CB C 75 35.076 35.076 32.898 2.178 18111
941 1 3 . 1 1 50 50 VAL H H 75 9.151 9.151 8.636 0.515 18111
942 1 3 . 1 1 51 51 GLU N N 76 123.487 123.487 118.675 4.812 18111
943 1 3 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.587 0.028 18111
944 1 3 . 1 1 51 51 GLU C C 76 175.631 175.631 173.814 1.817 18111
945 1 3 . 1 1 51 51 GLU CA C 76 53.112 53.112 56.236 -3.124 18111
946 1 3 . 1 1 51 51 GLU CB C 76 31.390 31.390 33.809 -2.419 18111
947 1 3 . 1 1 51 51 GLU H H 76 8.787 8.787 7.642 1.145 18111
948 1 3 . 1 1 52 52 ARG N N 77 122.407 122.407 116.565 5.842 18111
949 1 3 . 1 1 52 52 ARG HA H 77 3.351 3.351 5.353 -2.002 18111
950 1 3 . 1 1 52 52 ARG C C 77 177.220 177.220 175.296 1.924 18111
951 1 3 . 1 1 52 52 ARG CA C 77 57.693 57.693 54.385 3.308 18111
952 1 3 . 1 1 52 52 ARG CB C 77 29.342 29.342 33.946 -4.604 18111
953 1 3 . 1 1 52 52 ARG H H 77 8.160 8.160 8.392 -0.232 18111
954 1 3 . 1 1 53 53 GLY N N 78 116.273 116.273 112.097 4.176 18111
955 1 3 . 1 1 53 53 GLY C C 78 173.715 173.715 172.851 0.864 18111
956 1 3 . 1 1 53 53 GLY CA C 78 44.840 44.840 41.293 3.547 18111
957 1 3 . 1 1 53 53 GLY CB C 78 31.660 31.660 30.541 1.119 18111
958 1 3 . 1 1 53 53 GLY H H 78 9.194 9.194 9.346 -0.152 18111
959 1 3 . 1 1 54 54 ASP HA H 79 4.540 4.540 5.161 -0.621 18111
960 1 3 . 1 1 54 54 ASP C C 79 176.099 176.099 175.425 0.674 18111
961 1 3 . 1 1 54 54 ASP CA C 79 54.669 54.669 53.783 0.886 18111
962 1 3 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.463 -0.637 18111
963 1 3 . 1 1 55 55 VAL N N 80 120.501 120.501 125.892 -5.391 18111
964 1 3 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.232 -0.432 18111
965 1 3 . 1 1 55 55 VAL C C 80 175.957 175.957 176.169 -0.212 18111
966 1 3 . 1 1 55 55 VAL CA C 80 64.255 64.255 61.210 3.045 18111
967 1 3 . 1 1 55 55 VAL CB C 80 31.533 31.533 29.858 1.675 18111
968 1 3 . 1 1 55 55 VAL H H 80 8.658 8.658 8.339 0.319 18111
969 1 3 . 1 1 56 56 ILE N N 81 128.523 128.523 126.414 2.109 18111
970 1 3 . 1 1 56 56 ILE HA H 81 4.228 4.228 4.059 0.169 18111
971 1 3 . 1 1 56 56 ILE C C 81 175.957 175.957 174.864 1.093 18111
972 1 3 . 1 1 56 56 ILE CA C 81 61.785 61.785 62.737 -0.952 18111
973 1 3 . 1 1 56 56 ILE CB C 81 37.300 37.300 38.769 -1.469 18111
974 1 3 . 1 1 56 56 ILE H H 81 8.905 8.905 7.795 1.110 18111
975 1 3 . 1 1 57 57 SER N N 82 112.225 112.225 114.891 -2.666 18111
976 1 3 . 1 1 57 57 SER HA H 82 4.851 4.851 4.866 -0.015 18111
977 1 3 . 1 1 57 57 SER C C 82 173.959 173.959 172.363 1.596 18111
978 1 3 . 1 1 57 57 SER CA C 82 57.289 57.289 55.212 2.077 18111
979 1 3 . 1 1 57 57 SER CB C 82 64.825 64.825 62.594 2.231 18111
980 1 3 . 1 1 57 57 SER H H 82 7.671 7.671 8.019 -0.348 18111
981 1 3 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.796 -0.275 18111
982 1 3 . 1 1 58 58 ASP C C 83 175.427 175.427 175.508 -0.081 18111
983 1 3 . 1 1 58 58 ASP CA C 83 55.078 55.078 53.276 1.802 18111
984 1 3 . 1 1 58 58 ASP CB C 83 41.727 41.727 41.627 0.101 18111
985 1 4 . 1 1 2 2 LEU N N 27 128.700 128.700 125.925 2.775 18111
986 1 4 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.459 0.599 18111
987 1 4 . 1 1 2 2 LEU C C 27 177.649 177.649 175.255 2.394 18111
988 1 4 . 1 1 2 2 LEU CA C 27 52.539 52.539 55.252 -2.713 18111
989 1 4 . 1 1 2 2 LEU H H 27 8.701 8.701 8.587 0.114 18111
990 1 4 . 1 1 3 3 ALA N N 28 124.154 124.154 121.713 2.441 18111
991 1 4 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.412 -0.372 18111
992 1 4 . 1 1 3 3 ALA C C 28 179.462 179.462 176.413 3.049 18111
993 1 4 . 1 1 3 3 ALA CA C 28 51.966 51.966 51.877 0.089 18111
994 1 4 . 1 1 3 3 ALA CB C 28 18.040 18.040 19.988 -1.948 18111
995 1 4 . 1 1 3 3 ALA H H 28 9.243 9.243 7.985 1.258 18111
996 1 4 . 1 1 4 4 GLU N N 29 126.521 126.521 120.230 6.291 18111
997 1 4 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.813 -0.877 18111
998 1 4 . 1 1 4 4 GLU C C 29 175.569 175.569 175.623 -0.054 18111
999 1 4 . 1 1 4 4 GLU CA C 29 57.320 57.320 55.335 1.985 18111
1000 1 4 . 1 1 4 4 GLU CB C 29 30.056 30.056 31.535 -1.479 18111
1001 1 4 . 1 1 4 4 GLU H H 29 8.342 8.342 8.173 0.169 18111
1002 1 4 . 1 1 5 5 ILE N N 30 107.034 107.034 117.998 -10.964 18111
1003 1 4 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.199 0.188 18111
1004 1 4 . 1 1 5 5 ILE C C 30 172.899 172.899 174.855 -1.956 18111
1005 1 4 . 1 1 5 5 ILE CA C 30 58.682 58.682 60.720 -2.038 18111
1006 1 4 . 1 1 5 5 ILE CB C 30 42.956 42.956 38.655 4.301 18111
1007 1 4 . 1 1 5 5 ILE H H 30 6.701 6.701 8.065 -1.364 18111
1008 1 4 . 1 1 6 6 SER N N 31 112.862 112.862 114.868 -2.006 18111
1009 1 4 . 1 1 6 6 SER HA H 31 4.766 4.766 4.557 0.209 18111
1010 1 4 . 1 1 6 6 SER C C 31 174.795 174.795 174.156 0.639 18111
1011 1 4 . 1 1 6 6 SER CA C 31 56.389 56.389 57.779 -1.390 18111
1012 1 4 . 1 1 6 6 SER CB C 31 64.006 64.006 64.482 -0.476 18111
1013 1 4 . 1 1 6 6 SER H H 31 7.887 7.887 8.340 -0.453 18111
1014 1 4 . 1 1 7 7 GLY N N 32 110.064 110.064 105.918 4.146 18111
1015 1 4 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.651 -0.053 18111
1016 1 4 . 1 1 7 7 GLY C C 32 170.516 170.516 174.741 -4.225 18111
1017 1 4 . 1 1 7 7 GLY CA C 32 45.741 45.741 45.018 0.723 18111
1018 1 4 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.699 0.289 18111
1019 1 4 . 1 1 7 7 GLY H H 32 8.575 8.575 8.341 0.234 18111
1020 1 4 . 1 1 8 8 ILE N N 33 120.398 120.398 119.454 0.944 18111
1021 1 4 . 1 1 8 8 ILE HA H 33 4.624 4.624 3.765 0.859 18111
1022 1 4 . 1 1 8 8 ILE C C 33 177.404 177.404 176.343 1.061 18111
1023 1 4 . 1 1 8 8 ILE CA C 33 59.338 59.338 63.411 -4.073 18111
1024 1 4 . 1 1 8 8 ILE CB C 33 38.573 38.573 37.935 0.638 18111
1025 1 4 . 1 1 8 8 ILE H H 33 8.446 8.446 8.106 0.340 18111
1026 1 4 . 1 1 9 9 VAL N N 34 131.785 131.785 118.967 12.818 18111
1027 1 4 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.017 0.683 18111
1028 1 4 . 1 1 9 9 VAL C C 34 175.243 175.243 174.480 0.763 18111
1029 1 4 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.827 1.802 18111
1030 1 4 . 1 1 9 9 VAL CB C 34 32.815 32.815 32.658 0.157 18111
1031 1 4 . 1 1 9 9 VAL H H 34 8.993 8.993 7.784 1.209 18111
1032 1 4 . 1 1 10 10 SER N N 35 122.774 122.774 118.900 3.874 18111
1033 1 4 . 1 1 10 10 SER HA H 35 4.219 4.219 3.985 0.234 18111
1034 1 4 . 1 1 10 10 SER C C 35 170.515 170.515 172.616 -2.101 18111
1035 1 4 . 1 1 10 10 SER CA C 35 58.027 58.027 57.601 0.426 18111
1036 1 4 . 1 1 10 10 SER CB C 35 65.234 65.234 63.361 1.873 18111
1037 1 4 . 1 1 10 10 SER H H 35 9.670 9.670 8.028 1.642 18111
1038 1 4 . 1 1 11 11 PHE N N 36 115.035 115.035 123.094 -8.059 18111
1039 1 4 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.823 0.952 18111
1040 1 4 . 1 1 11 11 PHE C C 36 177.567 177.567 174.673 2.894 18111
1041 1 4 . 1 1 11 11 PHE CA C 36 55.897 55.897 55.421 0.476 18111
1042 1 4 . 1 1 11 11 PHE CB C 36 40.663 40.663 40.109 0.554 18111
1043 1 4 . 1 1 11 11 PHE H H 36 8.500 8.500 7.862 0.638 18111
1044 1 4 . 1 1 12 12 GLY N N 37 110.705 110.705 112.536 -1.831 18111
1045 1 4 . 1 1 12 12 GLY HA H 37 5.473 5.473 4.908 0.565 18111
1046 1 4 . 1 1 12 12 GLY C C 37 173.960 173.960 173.847 0.113 18111
1047 1 4 . 1 1 12 12 GLY CA C 37 43.611 43.611 43.358 0.253 18111
1048 1 4 . 1 1 12 12 GLY CB C 37 32.225 32.225 29.510 2.715 18111
1049 1 4 . 1 1 12 12 GLY H H 37 9.179 9.179 8.669 0.510 18111
1050 1 4 . 1 1 13 13 LYS N N 38 123.737 123.737 126.902 -3.165 18111
1051 1 4 . 1 1 13 13 LYS HA H 38 4.219 4.219 5.031 -0.812 18111
1052 1 4 . 1 1 13 13 LYS C C 38 176.364 176.364 176.389 -0.025 18111
1053 1 4 . 1 1 13 13 LYS CA C 38 57.371 57.371 55.014 2.357 18111
1054 1 4 . 1 1 13 13 LYS CB C 38 32.783 32.783 32.368 0.415 18111
1055 1 4 . 1 1 13 13 LYS H H 38 8.716 8.716 9.154 -0.438 18111
1056 1 4 . 1 1 14 14 GLU N N 39 126.129 126.129 129.780 -3.651 18111
1057 1 4 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.405 0.163 18111
1058 1 4 . 1 1 14 14 GLU C C 39 177.118 177.118 176.071 1.047 18111
1059 1 4 . 1 1 14 14 GLU CA C 39 56.716 56.716 58.292 -1.576 18111
1060 1 4 . 1 1 14 14 GLU CB C 39 30.571 30.571 28.864 1.707 18111
1061 1 4 . 1 1 14 14 GLU H H 39 8.582 8.582 8.482 0.100 18111
1062 1 4 . 1 1 15 15 THR N N 40 117.595 117.595 116.362 1.233 18111
1063 1 4 . 1 1 15 15 THR HA H 40 4.543 4.543 4.786 -0.243 18111
1064 1 4 . 1 1 15 15 THR C C 40 173.063 173.063 172.051 1.012 18111
1065 1 4 . 1 1 15 15 THR CA C 40 61.057 61.057 58.861 2.196 18111
1066 1 4 . 1 1 15 15 THR CB C 40 70.968 70.968 71.148 -0.180 18111
1067 1 4 . 1 1 15 15 THR H H 40 8.202 8.202 9.015 -0.813 18111
1068 1 4 . 1 1 16 16 LYS N N 41 120.682 120.682 123.066 -2.384 18111
1069 1 4 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.530 0.142 18111
1070 1 4 . 1 1 16 16 LYS C C 41 176.162 176.162 175.422 0.740 18111
1071 1 4 . 1 1 16 16 LYS CA C 41 54.311 54.311 54.264 0.047 18111
1072 1 4 . 1 1 16 16 LYS CB C 41 41.241 41.241 34.645 6.596 18111
1073 1 4 . 1 1 16 16 LYS H H 41 9.220 9.220 8.926 0.294 18111
1074 1 4 . 1 1 17 17 GLY N N 42 115.021 115.021 115.748 -0.727 18111
1075 1 4 . 1 1 17 17 GLY CA C 42 46.396 46.396 44.224 2.172 18111
1076 1 4 . 1 1 17 17 GLY H H 42 7.904 7.904 8.019 -0.115 18111
1077 1 4 . 1 1 18 18 LYS N N 43 121.239 121.239 121.722 -0.483 18111
1078 1 4 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.039 0.680 18111
1079 1 4 . 1 1 18 18 LYS C C 43 175.095 175.095 175.964 -0.869 18111
1080 1 4 . 1 1 18 18 LYS CA C 43 54.505 54.505 58.970 -4.465 18111
1081 1 4 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.341 2.407 18111
1082 1 4 . 1 1 18 18 LYS H H 43 8.323 8.323 8.567 -0.244 18111
1083 1 4 . 1 1 19 19 ARG N N 44 118.685 118.685 120.044 -1.359 18111
1084 1 4 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.364 0.110 18111
1085 1 4 . 1 1 19 19 ARG C C 44 174.184 174.184 176.516 -2.332 18111
1086 1 4 . 1 1 19 19 ARG CA C 44 54.423 54.423 57.235 -2.812 18111
1087 1 4 . 1 1 19 19 ARG CB C 44 32.619 32.619 30.745 1.874 18111
1088 1 4 . 1 1 19 19 ARG H H 44 8.936 8.936 8.284 0.652 18111
1089 1 4 . 1 1 20 20 ARG N N 45 126.346 126.346 115.798 10.548 18111
1090 1 4 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.613 0.445 18111
1091 1 4 . 1 1 20 20 ARG C C 45 174.999 174.999 174.236 0.763 18111
1092 1 4 . 1 1 20 20 ARG CA C 45 54.095 54.095 54.305 -0.210 18111
1093 1 4 . 1 1 20 20 ARG CB C 45 32.298 32.298 32.871 -0.573 18111
1094 1 4 . 1 1 20 20 ARG H H 45 8.881 8.881 7.584 1.297 18111
1095 1 4 . 1 1 21 21 LEU N N 46 130.427 130.427 122.195 8.232 18111
1096 1 4 . 1 1 21 21 LEU HA H 46 4.417 4.417 5.078 -0.661 18111
1097 1 4 . 1 1 21 21 LEU C C 46 173.593 173.593 175.878 -2.285 18111
1098 1 4 . 1 1 21 21 LEU CA C 46 55.324 55.324 53.983 1.341 18111
1099 1 4 . 1 1 21 21 LEU CB C 46 43.775 43.775 43.624 0.151 18111
1100 1 4 . 1 1 21 21 LEU H H 46 8.858 8.858 8.676 0.182 18111
1101 1 4 . 1 1 22 22 VAL N N 47 127.940 127.940 117.890 10.050 18111
1102 1 4 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.547 0.426 18111
1103 1 4 . 1 1 22 22 VAL C C 47 175.529 175.529 173.588 1.941 18111
1104 1 4 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.554 0.257 18111
1105 1 4 . 1 1 22 22 VAL CB C 47 32.946 32.946 34.647 -1.701 18111
1106 1 4 . 1 1 22 22 VAL H H 47 8.665 8.665 8.617 0.048 18111
1107 1 4 . 1 1 23 23 ILE N N 48 124.228 124.228 122.063 2.165 18111
1108 1 4 . 1 1 23 23 ILE HA H 48 4.606 4.606 4.666 -0.060 18111
1109 1 4 . 1 1 23 23 ILE C C 48 175.732 175.732 174.685 1.047 18111
1110 1 4 . 1 1 23 23 ILE CA C 48 60.730 60.730 59.622 1.108 18111
1111 1 4 . 1 1 23 23 ILE CB C 48 39.745 39.745 38.862 0.883 18111
1112 1 4 . 1 1 23 23 ILE H H 48 9.374 9.374 8.669 0.705 18111
1113 1 4 . 1 1 24 24 THR N N 49 124.978 124.978 119.228 5.750 18111
1114 1 4 . 1 1 24 24 THR HA H 49 4.557 4.557 5.033 -0.476 18111
1115 1 4 . 1 1 24 24 THR C C 49 173.572 173.572 172.408 1.164 18111
1116 1 4 . 1 1 24 24 THR CA C 49 60.893 60.893 58.007 2.886 18111
1117 1 4 . 1 1 24 24 THR CB C 49 69.821 69.821 71.886 -2.065 18111
1118 1 4 . 1 1 24 24 THR H H 49 9.018 9.018 8.839 0.179 18111
1119 1 4 . 1 1 25 25 PRO HA H 50 4.804 4.804 5.173 -0.369 18111
1120 1 4 . 1 1 25 25 PRO C C 50 177.913 177.913 176.382 1.531 18111
1121 1 4 . 1 1 25 25 PRO CA C 50 62.777 62.777 62.252 0.525 18111
1122 1 4 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.928 1.756 18111
1123 1 4 . 1 1 26 26 VAL N N 51 116.090 116.090 120.531 -4.441 18111
1124 1 4 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.421 -0.221 18111
1125 1 4 . 1 1 26 26 VAL C C 51 176.323 176.323 175.078 1.245 18111
1126 1 4 . 1 1 26 26 VAL CA C 51 62.777 62.777 60.367 2.410 18111
1127 1 4 . 1 1 26 26 VAL CB C 51 31.390 31.390 33.741 -2.351 18111
1128 1 4 . 1 1 26 26 VAL H H 51 8.584 8.584 8.399 0.185 18111
1129 1 4 . 1 1 27 27 ASP N N 52 118.508 118.508 124.500 -5.992 18111
1130 1 4 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.886 -0.290 18111
1131 1 4 . 1 1 27 27 ASP C C 52 177.240 177.240 174.732 2.508 18111
1132 1 4 . 1 1 27 27 ASP CA C 52 53.358 53.358 52.978 0.380 18111
1133 1 4 . 1 1 27 27 ASP CB C 52 40.826 40.826 42.324 -1.498 18111
1134 1 4 . 1 1 27 27 ASP H H 52 7.756 7.756 8.673 -0.917 18111
1135 1 4 . 1 1 28 28 GLY N N 53 107.578 107.578 111.870 -4.292 18111
1136 1 4 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.626 -0.027 18111
1137 1 4 . 1 1 28 28 GLY C C 53 174.652 174.652 172.980 1.672 18111
1138 1 4 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.141 1.436 18111
1139 1 4 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.768 0.710 18111
1140 1 4 . 1 1 28 28 GLY H H 53 7.819 7.819 8.424 -0.605 18111
1141 1 4 . 1 1 29 29 SER N N 54 115.662 115.662 113.824 1.838 18111
1142 1 4 . 1 1 29 29 SER HA H 54 4.426 4.426 4.562 -0.136 18111
1143 1 4 . 1 1 29 29 SER C C 54 172.696 172.696 174.673 -1.977 18111
1144 1 4 . 1 1 29 29 SER CA C 54 59.010 59.010 59.419 -0.409 18111
1145 1 4 . 1 1 29 29 SER CB C 54 63.596 63.596 64.750 -1.154 18111
1146 1 4 . 1 1 29 29 SER H H 54 7.827 7.827 9.228 -1.401 18111
1147 1 4 . 1 1 30 30 ASP N N 55 119.004 119.004 120.156 -1.152 18111
1148 1 4 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.652 0.154 18111
1149 1 4 . 1 1 30 30 ASP C C 55 174.102 174.102 176.181 -2.079 18111
1150 1 4 . 1 1 30 30 ASP CA C 55 53.849 53.849 53.002 0.847 18111
1151 1 4 . 1 1 30 30 ASP CB C 55 40.335 40.335 43.602 -3.267 18111
1152 1 4 . 1 1 30 30 ASP H H 55 8.114 8.114 7.723 0.391 18111
1153 1 4 . 1 1 31 31 PRO N N 56 123.263 123.263 126.170 -2.907 18111
1154 1 4 . 1 1 31 31 PRO HA H 56 4.634 4.634 4.029 0.605 18111
1155 1 4 . 1 1 31 31 PRO C C 56 175.692 175.692 178.296 -2.604 18111
1156 1 4 . 1 1 31 31 PRO CA C 56 62.941 62.941 66.841 -3.900 18111
1157 1 4 . 1 1 31 31 PRO CB C 56 32.455 32.455 31.111 1.344 18111
1158 1 4 . 1 1 31 31 PRO H H 56 8.869 8.869 8.824 0.045 18111
1159 1 4 . 1 1 32 32 TYR N N 57 124.973 124.973 118.162 6.811 18111
1160 1 4 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.225 0.362 18111
1161 1 4 . 1 1 32 32 TYR C C 57 173.450 173.450 177.882 -4.432 18111
1162 1 4 . 1 1 32 32 TYR CA C 57 57.863 57.863 61.365 -3.502 18111
1163 1 4 . 1 1 32 32 TYR CB C 57 41.727 41.727 38.074 3.654 18111
1164 1 4 . 1 1 32 32 TYR H H 57 8.639 8.639 8.344 0.295 18111
1165 1 4 . 1 1 33 33 GLU N N 58 124.075 124.075 119.794 4.281 18111
1166 1 4 . 1 1 33 33 GLU HA H 58 5.699 5.699 4.126 1.573 18111
1167 1 4 . 1 1 33 33 GLU C C 58 173.980 173.980 178.383 -4.403 18111
1168 1 4 . 1 1 33 33 GLU CA C 58 53.686 53.686 59.258 -5.572 18111
1169 1 4 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.483 4.774 18111
1170 1 4 . 1 1 33 33 GLU H H 58 6.719 6.719 8.314 -1.595 18111
1171 1 4 . 1 1 34 34 GLU N N 59 115.961 115.961 119.835 -3.874 18111
1172 1 4 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.812 1.105 18111
1173 1 4 . 1 1 34 34 GLU C C 59 174.143 174.143 178.066 -3.923 18111
1174 1 4 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.389 -3.901 18111
1175 1 4 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.221 6.446 18111
1176 1 4 . 1 1 34 34 GLU H H 59 8.854 8.854 8.043 0.811 18111
1177 1 4 . 1 1 35 35 MET N N 60 117.652 117.652 117.654 -0.002 18111
1178 1 4 . 1 1 35 35 MET HA H 60 4.973 4.973 4.034 0.939 18111
1179 1 4 . 1 1 35 35 MET C C 60 175.305 175.305 178.243 -2.938 18111
1180 1 4 . 1 1 35 35 MET CA C 60 53.849 53.849 58.243 -4.394 18111
1181 1 4 . 1 1 35 35 MET CB C 60 34.830 34.830 32.124 2.706 18111
1182 1 4 . 1 1 35 35 MET H H 60 8.938 8.938 7.817 1.121 18111
1183 1 4 . 1 1 36 36 ILE N N 61 118.458 118.458 119.743 -1.285 18111
1184 1 4 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.810 0.683 18111
1185 1 4 . 1 1 36 36 ILE C C 61 179.326 179.326 179.261 0.065 18111
1186 1 4 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.650 -10.150 18111
1187 1 4 . 1 1 36 36 ILE CB C 61 32.420 32.420 37.939 -5.519 18111
1188 1 4 . 1 1 36 36 ILE H H 61 8.942 8.942 7.778 1.164 18111
1189 1 4 . 1 1 37 37 PRO N N 62 119.807 119.807 120.101 -0.294 18111
1190 1 4 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.172 0.154 18111
1191 1 4 . 1 1 37 37 PRO C C 62 178.789 178.789 180.047 -1.258 18111
1192 1 4 . 1 1 37 37 PRO CA C 62 63.351 63.351 66.083 -2.732 18111
1193 1 4 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.505 0.712 18111
1194 1 4 . 1 1 37 37 PRO H H 62 8.627 8.627 8.331 0.296 18111
1195 1 4 . 1 1 38 38 LYS N N 63 122.363 122.363 118.458 3.905 18111
1196 1 4 . 1 1 38 38 LYS HA H 63 3.794 3.794 4.024 -0.230 18111
1197 1 4 . 1 1 38 38 LYS C C 63 175.284 175.284 177.743 -2.459 18111
1198 1 4 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.565 -0.637 18111
1199 1 4 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.628 0.254 18111
1200 1 4 . 1 1 38 38 LYS H H 63 8.629 8.629 8.357 0.272 18111
1201 1 4 . 1 1 39 39 TRP N N 64 110.966 110.966 120.194 -9.228 18111
1202 1 4 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.555 0.003 18111
1203 1 4 . 1 1 39 39 TRP C C 64 177.281 177.281 178.228 -0.947 18111
1204 1 4 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.680 -3.701 18111
1205 1 4 . 1 1 39 39 TRP CB C 64 28.524 28.524 29.806 -1.282 18111
1206 1 4 . 1 1 39 39 TRP H H 64 6.689 6.689 7.508 -0.819 18111
1207 1 4 . 1 1 40 40 ARG N N 65 120.429 120.429 119.207 1.222 18111
1208 1 4 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.162 0.010 18111
1209 1 4 . 1 1 40 40 ARG C C 65 176.059 176.059 178.112 -2.053 18111
1210 1 4 . 1 1 40 40 ARG CA C 65 55.324 55.324 59.663 -4.339 18111
1211 1 4 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.697 -2.177 18111
1212 1 4 . 1 1 40 40 ARG H H 65 6.450 6.450 8.944 -2.494 18111
1213 1 4 . 1 1 41 41 GLN N N 66 125.132 125.132 117.528 7.604 18111
1214 1 4 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.255 0.030 18111
1215 1 4 . 1 1 41 41 GLN C C 66 176.283 176.283 176.667 -0.384 18111
1216 1 4 . 1 1 41 41 GLN CA C 66 55.651 55.651 58.081 -2.430 18111
1217 1 4 . 1 1 41 41 GLN CB C 66 28.933 28.933 29.156 -0.223 18111
1218 1 4 . 1 1 41 41 GLN H H 66 9.430 9.430 8.218 1.212 18111
1219 1 4 . 1 1 42 42 LEU N N 67 127.081 127.081 117.657 9.424 18111
1220 1 4 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.286 0.687 18111
1221 1 4 . 1 1 42 42 LEU C C 67 177.179 177.179 178.890 -1.711 18111
1222 1 4 . 1 1 42 42 LEU CA C 67 53.686 53.686 57.353 -3.667 18111
1223 1 4 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.632 0.307 18111
1224 1 4 . 1 1 42 42 LEU H H 67 8.971 8.971 7.742 1.229 18111
1225 1 4 . 1 1 43 43 ASN N N 68 118.458 118.458 118.066 0.392 18111
1226 1 4 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.151 -0.376 18111
1227 1 4 . 1 1 43 43 ASN C C 68 174.265 174.265 175.170 -0.905 18111
1228 1 4 . 1 1 43 43 ASN CA C 68 52.950 52.950 56.530 -3.580 18111
1229 1 4 . 1 1 43 43 ASN CB C 68 39.499 39.499 35.550 3.949 18111
1230 1 4 . 1 1 43 43 ASN H H 68 8.898 8.898 8.665 0.233 18111
1231 1 4 . 1 1 44 44 VAL HA H 69 4.813 4.813 4.093 0.720 18111
1232 1 4 . 1 1 44 44 VAL C C 69 173.389 173.389 175.494 -2.105 18111
1233 1 4 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.719 -5.447 18111
1234 1 4 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.736 4.176 18111
1235 1 4 . 1 1 45 45 PHE N N 70 118.947 118.947 116.728 2.219 18111
1236 1 4 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.684 0.214 18111
1237 1 4 . 1 1 45 45 PHE C C 70 174.591 174.591 176.010 -1.419 18111
1238 1 4 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.898 -2.329 18111
1239 1 4 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.469 2.258 18111
1240 1 4 . 1 1 45 45 PHE H H 70 8.261 8.261 7.781 0.480 18111
1241 1 4 . 1 1 46 46 GLU N N 71 119.246 119.246 117.820 1.426 18111
1242 1 4 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.975 -0.200 18111
1243 1 4 . 1 1 46 46 GLU C C 71 177.200 177.200 175.485 1.715 18111
1244 1 4 . 1 1 46 46 GLU CA C 71 58.424 58.424 56.031 2.393 18111
1245 1 4 . 1 1 46 46 GLU H H 71 8.706 8.706 7.698 1.008 18111
1246 1 4 . 1 1 47 47 GLY N N 72 114.762 114.762 109.080 5.682 18111
1247 1 4 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.653 0.271 18111
1248 1 4 . 1 1 47 47 GLY C C 72 174.204 174.204 173.362 0.842 18111
1249 1 4 . 1 1 47 47 GLY CA C 72 44.922 44.922 44.009 0.913 18111
1250 1 4 . 1 1 47 47 GLY CB C 72 42.000 42.000 40.736 1.264 18111
1251 1 4 . 1 1 47 47 GLY H H 72 9.345 9.345 7.973 1.372 18111
1252 1 4 . 1 1 48 48 GLU N N 73 121.519 121.519 125.589 -4.070 18111
1253 1 4 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.663 -0.473 18111
1254 1 4 . 1 1 48 48 GLU C C 73 174.836 174.836 175.555 -0.719 18111
1255 1 4 . 1 1 48 48 GLU CA C 73 56.880 56.880 53.936 2.944 18111
1256 1 4 . 1 1 48 48 GLU CB C 73 30.899 30.899 30.374 0.525 18111
1257 1 4 . 1 1 48 48 GLU H H 73 7.866 7.866 8.853 -0.987 18111
1258 1 4 . 1 1 49 49 ARG N N 74 122.680 122.680 123.218 -0.538 18111
1259 1 4 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.130 0.740 18111
1260 1 4 . 1 1 49 49 ARG C C 74 176.222 176.222 175.841 0.381 18111
1261 1 4 . 1 1 49 49 ARG CA C 74 55.488 55.488 56.901 -1.413 18111
1262 1 4 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.747 0.398 18111
1263 1 4 . 1 1 49 49 ARG H H 74 8.446 8.446 8.741 -0.295 18111
1264 1 4 . 1 1 50 50 VAL N N 75 118.810 118.810 123.287 -4.477 18111
1265 1 4 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.330 0.408 18111
1266 1 4 . 1 1 50 50 VAL C C 75 174.877 174.877 175.651 -0.774 18111
1267 1 4 . 1 1 50 50 VAL CA C 75 58.846 58.846 63.035 -4.189 18111
1268 1 4 . 1 1 50 50 VAL CB C 75 35.076 35.076 33.733 1.343 18111
1269 1 4 . 1 1 50 50 VAL H H 75 9.151 9.151 8.599 0.552 18111
1270 1 4 . 1 1 51 51 GLU N N 76 123.487 123.487 118.990 4.497 18111
1271 1 4 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.652 -0.037 18111
1272 1 4 . 1 1 51 51 GLU C C 76 175.631 175.631 174.107 1.524 18111
1273 1 4 . 1 1 51 51 GLU CA C 76 53.112 53.112 55.715 -2.603 18111
1274 1 4 . 1 1 51 51 GLU CB C 76 31.390 31.390 34.149 -2.759 18111
1275 1 4 . 1 1 51 51 GLU H H 76 8.787 8.787 8.397 0.390 18111
1276 1 4 . 1 1 52 52 ARG N N 77 122.407 122.407 120.020 2.387 18111
1277 1 4 . 1 1 52 52 ARG HA H 77 3.351 3.351 5.107 -1.756 18111
1278 1 4 . 1 1 52 52 ARG C C 77 177.220 177.220 174.502 2.718 18111
1279 1 4 . 1 1 52 52 ARG CA C 77 57.693 57.693 54.022 3.671 18111
1280 1 4 . 1 1 52 52 ARG CB C 77 29.342 29.342 33.737 -4.395 18111
1281 1 4 . 1 1 52 52 ARG H H 77 8.160 8.160 8.292 -0.132 18111
1282 1 4 . 1 1 53 53 GLY N N 78 116.273 116.273 116.810 -0.537 18111
1283 1 4 . 1 1 53 53 GLY C C 78 173.715 173.715 172.939 0.776 18111
1284 1 4 . 1 1 53 53 GLY CA C 78 44.840 44.840 41.499 3.341 18111
1285 1 4 . 1 1 53 53 GLY CB C 78 31.660 31.660 32.384 -0.724 18111
1286 1 4 . 1 1 53 53 GLY H H 78 9.194 9.194 8.961 0.233 18111
1287 1 4 . 1 1 54 54 ASP HA H 79 4.540 4.540 5.379 -0.839 18111
1288 1 4 . 1 1 54 54 ASP C C 79 176.099 176.099 175.993 0.106 18111
1289 1 4 . 1 1 54 54 ASP CA C 79 54.669 54.669 53.002 1.667 18111
1290 1 4 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.551 -0.725 18111
1291 1 4 . 1 1 55 55 VAL N N 80 120.501 120.501 125.539 -5.038 18111
1292 1 4 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.227 -0.427 18111
1293 1 4 . 1 1 55 55 VAL C C 80 175.957 175.957 175.810 0.147 18111
1294 1 4 . 1 1 55 55 VAL CA C 80 64.255 64.255 61.102 3.153 18111
1295 1 4 . 1 1 55 55 VAL CB C 80 31.533 31.533 30.293 1.240 18111
1296 1 4 . 1 1 55 55 VAL H H 80 8.658 8.658 7.915 0.743 18111
1297 1 4 . 1 1 56 56 ILE N N 81 128.523 128.523 125.473 3.050 18111
1298 1 4 . 1 1 56 56 ILE HA H 81 4.228 4.228 4.167 0.061 18111
1299 1 4 . 1 1 56 56 ILE C C 81 175.957 175.957 176.061 -0.104 18111
1300 1 4 . 1 1 56 56 ILE CA C 81 61.785 61.785 62.178 -0.393 18111
1301 1 4 . 1 1 56 56 ILE CB C 81 37.300 37.300 38.524 -1.224 18111
1302 1 4 . 1 1 56 56 ILE H H 81 8.905 8.905 7.948 0.957 18111
1303 1 4 . 1 1 57 57 SER N N 82 112.225 112.225 114.381 -2.156 18111
1304 1 4 . 1 1 57 57 SER HA H 82 4.851 4.851 4.825 0.026 18111
1305 1 4 . 1 1 57 57 SER C C 82 173.959 173.959 172.977 0.982 18111
1306 1 4 . 1 1 57 57 SER CA C 82 57.289 57.289 57.864 -0.575 18111
1307 1 4 . 1 1 57 57 SER CB C 82 64.825 64.825 62.313 2.512 18111
1308 1 4 . 1 1 57 57 SER H H 82 7.671 7.671 8.319 -0.648 18111
1309 1 4 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.710 -0.189 18111
1310 1 4 . 1 1 58 58 ASP C C 83 175.427 175.427 174.827 0.600 18111
1311 1 4 . 1 1 58 58 ASP CA C 83 55.078 55.078 54.208 0.870 18111
1312 1 4 . 1 1 58 58 ASP CB C 83 41.727 41.727 41.084 0.643 18111
1313 1 5 . 1 1 2 2 LEU N N 27 128.700 128.700 125.136 3.564 18111
1314 1 5 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.363 0.695 18111
1315 1 5 . 1 1 2 2 LEU C C 27 177.649 177.649 177.263 0.386 18111
1316 1 5 . 1 1 2 2 LEU CA C 27 52.539 52.539 54.786 -2.247 18111
1317 1 5 . 1 1 2 2 LEU H H 27 8.701 8.701 8.319 0.382 18111
1318 1 5 . 1 1 3 3 ALA N N 28 124.154 124.154 122.402 1.752 18111
1319 1 5 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.285 -0.245 18111
1320 1 5 . 1 1 3 3 ALA C C 28 179.462 179.462 177.418 2.044 18111
1321 1 5 . 1 1 3 3 ALA CA C 28 51.966 51.966 52.317 -0.351 18111
1322 1 5 . 1 1 3 3 ALA CB C 28 18.040 18.040 19.336 -1.296 18111
1323 1 5 . 1 1 3 3 ALA H H 28 9.243 9.243 7.931 1.312 18111
1324 1 5 . 1 1 4 4 GLU N N 29 126.521 126.521 122.269 4.252 18111
1325 1 5 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.239 -0.303 18111
1326 1 5 . 1 1 4 4 GLU C C 29 175.569 175.569 176.433 -0.864 18111
1327 1 5 . 1 1 4 4 GLU CA C 29 57.320 57.320 56.003 1.317 18111
1328 1 5 . 1 1 4 4 GLU CB C 29 30.056 30.056 28.747 1.309 18111
1329 1 5 . 1 1 4 4 GLU H H 29 8.342 8.342 7.753 0.589 18111
1330 1 5 . 1 1 5 5 ILE N N 30 107.034 107.034 125.028 -17.994 18111
1331 1 5 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.039 0.348 18111
1332 1 5 . 1 1 5 5 ILE C C 30 172.899 172.899 175.538 -2.639 18111
1333 1 5 . 1 1 5 5 ILE CA C 30 58.682 58.682 63.540 -4.858 18111
1334 1 5 . 1 1 5 5 ILE CB C 30 42.956 42.956 38.653 4.303 18111
1335 1 5 . 1 1 5 5 ILE H H 30 6.701 6.701 8.197 -1.496 18111
1336 1 5 . 1 1 6 6 SER N N 31 112.862 112.862 113.804 -0.942 18111
1337 1 5 . 1 1 6 6 SER HA H 31 4.766 4.766 4.662 0.104 18111
1338 1 5 . 1 1 6 6 SER C C 31 174.795 174.795 171.798 2.997 18111
1339 1 5 . 1 1 6 6 SER CA C 31 56.389 56.389 56.830 -0.441 18111
1340 1 5 . 1 1 6 6 SER CB C 31 64.006 64.006 65.960 -1.954 18111
1341 1 5 . 1 1 6 6 SER H H 31 7.887 7.887 7.768 0.119 18111
1342 1 5 . 1 1 7 7 GLY N N 32 110.064 110.064 114.321 -4.257 18111
1343 1 5 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.197 0.401 18111
1344 1 5 . 1 1 7 7 GLY C C 32 170.516 170.516 173.898 -3.382 18111
1345 1 5 . 1 1 7 7 GLY CA C 32 45.741 45.741 44.371 1.370 18111
1346 1 5 . 1 1 7 7 GLY CB C 32 40.988 40.988 39.067 1.921 18111
1347 1 5 . 1 1 7 7 GLY H H 32 8.575 8.575 8.295 0.280 18111
1348 1 5 . 1 1 8 8 ILE N N 33 120.398 120.398 118.241 2.157 18111
1349 1 5 . 1 1 8 8 ILE HA H 33 4.624 4.624 3.759 0.865 18111
1350 1 5 . 1 1 8 8 ILE C C 33 177.404 177.404 176.314 1.090 18111
1351 1 5 . 1 1 8 8 ILE CA C 33 59.338 59.338 62.543 -3.205 18111
1352 1 5 . 1 1 8 8 ILE CB C 33 38.573 38.573 38.081 0.492 18111
1353 1 5 . 1 1 8 8 ILE H H 33 8.446 8.446 7.944 0.502 18111
1354 1 5 . 1 1 9 9 VAL N N 34 131.785 131.785 118.698 13.087 18111
1355 1 5 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.071 0.629 18111
1356 1 5 . 1 1 9 9 VAL C C 34 175.243 175.243 174.833 0.410 18111
1357 1 5 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.522 2.106 18111
1358 1 5 . 1 1 9 9 VAL CB C 34 32.815 32.815 32.830 -0.015 18111
1359 1 5 . 1 1 9 9 VAL H H 34 8.993 8.993 7.635 1.358 18111
1360 1 5 . 1 1 10 10 SER N N 35 122.774 122.774 117.039 5.735 18111
1361 1 5 . 1 1 10 10 SER HA H 35 4.219 4.219 4.372 -0.153 18111
1362 1 5 . 1 1 10 10 SER C C 35 170.515 170.515 172.222 -1.707 18111
1363 1 5 . 1 1 10 10 SER CA C 35 58.027 58.027 57.003 1.024 18111
1364 1 5 . 1 1 10 10 SER CB C 35 65.234 65.234 63.752 1.482 18111
1365 1 5 . 1 1 10 10 SER H H 35 9.670 9.670 8.143 1.527 18111
1366 1 5 . 1 1 11 11 PHE N N 36 115.035 115.035 123.016 -7.981 18111
1367 1 5 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.802 0.973 18111
1368 1 5 . 1 1 11 11 PHE C C 36 177.567 177.567 174.507 3.060 18111
1369 1 5 . 1 1 11 11 PHE CA C 36 55.897 55.897 55.731 0.166 18111
1370 1 5 . 1 1 11 11 PHE CB C 36 40.663 40.663 41.278 -0.615 18111
1371 1 5 . 1 1 11 11 PHE H H 36 8.500 8.500 8.211 0.289 18111
1372 1 5 . 1 1 12 12 GLY N N 37 110.705 110.705 111.079 -0.374 18111
1373 1 5 . 1 1 12 12 GLY HA H 37 5.473 5.473 5.096 0.377 18111
1374 1 5 . 1 1 12 12 GLY C C 37 173.960 173.960 174.033 -0.073 18111
1375 1 5 . 1 1 12 12 GLY CA C 37 43.611 43.611 44.306 -0.695 18111
1376 1 5 . 1 1 12 12 GLY CB C 37 32.225 32.225 32.134 0.091 18111
1377 1 5 . 1 1 12 12 GLY H H 37 9.179 9.179 9.083 0.096 18111
1378 1 5 . 1 1 13 13 LYS N N 38 123.737 123.737 123.186 0.551 18111
1379 1 5 . 1 1 13 13 LYS HA H 38 4.219 4.219 5.175 -0.956 18111
1380 1 5 . 1 1 13 13 LYS C C 38 176.364 176.364 174.792 1.572 18111
1381 1 5 . 1 1 13 13 LYS CA C 38 57.371 57.371 55.237 2.134 18111
1382 1 5 . 1 1 13 13 LYS CB C 38 32.783 32.783 36.056 -3.273 18111
1383 1 5 . 1 1 13 13 LYS H H 38 8.716 8.716 9.455 -0.739 18111
1384 1 5 . 1 1 14 14 GLU N N 39 126.129 126.129 126.339 -0.210 18111
1385 1 5 . 1 1 14 14 GLU HA H 39 4.568 4.568 5.154 -0.586 18111
1386 1 5 . 1 1 14 14 GLU C C 39 177.118 177.118 175.413 1.705 18111
1387 1 5 . 1 1 14 14 GLU CA C 39 56.716 56.716 55.259 1.457 18111
1388 1 5 . 1 1 14 14 GLU CB C 39 30.571 30.571 30.302 0.269 18111
1389 1 5 . 1 1 14 14 GLU H H 39 8.582 8.582 9.027 -0.445 18111
1390 1 5 . 1 1 15 15 THR N N 40 117.595 117.595 122.103 -4.508 18111
1391 1 5 . 1 1 15 15 THR HA H 40 4.543 4.543 4.540 0.003 18111
1392 1 5 . 1 1 15 15 THR C C 40 173.063 173.063 172.086 0.977 18111
1393 1 5 . 1 1 15 15 THR CA C 40 61.057 61.057 60.207 0.850 18111
1394 1 5 . 1 1 15 15 THR CB C 40 70.968 70.968 70.204 0.764 18111
1395 1 5 . 1 1 15 15 THR H H 40 8.202 8.202 8.860 -0.658 18111
1396 1 5 . 1 1 16 16 LYS N N 41 120.682 120.682 125.592 -4.910 18111
1397 1 5 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.806 -0.134 18111
1398 1 5 . 1 1 16 16 LYS C C 41 176.162 176.162 175.593 0.569 18111
1399 1 5 . 1 1 16 16 LYS CA C 41 54.311 54.311 54.563 -0.252 18111
1400 1 5 . 1 1 16 16 LYS CB C 41 41.241 41.241 35.919 5.322 18111
1401 1 5 . 1 1 16 16 LYS H H 41 9.220 9.220 9.169 0.051 18111
1402 1 5 . 1 1 17 17 GLY N N 42 115.021 115.021 115.681 -0.660 18111
1403 1 5 . 1 1 17 17 GLY CA C 42 46.396 46.396 43.998 2.397 18111
1404 1 5 . 1 1 17 17 GLY H H 42 7.904 7.904 9.034 -1.130 18111
1405 1 5 . 1 1 18 18 LYS N N 43 121.239 121.239 120.619 0.620 18111
1406 1 5 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.053 0.666 18111
1407 1 5 . 1 1 18 18 LYS C C 43 175.095 175.095 174.783 0.312 18111
1408 1 5 . 1 1 18 18 LYS CA C 43 54.505 54.505 58.444 -3.939 18111
1409 1 5 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.457 2.291 18111
1410 1 5 . 1 1 18 18 LYS H H 43 8.323 8.323 8.418 -0.095 18111
1411 1 5 . 1 1 19 19 ARG N N 44 118.685 118.685 118.066 0.619 18111
1412 1 5 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.326 0.148 18111
1413 1 5 . 1 1 19 19 ARG C C 44 174.184 174.184 175.560 -1.376 18111
1414 1 5 . 1 1 19 19 ARG CA C 44 54.423 54.423 55.834 -1.411 18111
1415 1 5 . 1 1 19 19 ARG CB C 44 32.619 32.619 31.447 1.172 18111
1416 1 5 . 1 1 19 19 ARG H H 44 8.936 8.936 8.097 0.839 18111
1417 1 5 . 1 1 20 20 ARG N N 45 126.346 126.346 120.084 6.262 18111
1418 1 5 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.666 0.392 18111
1419 1 5 . 1 1 20 20 ARG C C 45 174.999 174.999 174.742 0.257 18111
1420 1 5 . 1 1 20 20 ARG CA C 45 54.095 54.095 55.295 -1.200 18111
1421 1 5 . 1 1 20 20 ARG CB C 45 32.298 32.298 32.715 -0.417 18111
1422 1 5 . 1 1 20 20 ARG H H 45 8.881 8.881 8.112 0.769 18111
1423 1 5 . 1 1 21 21 LEU N N 46 130.427 130.427 121.496 8.931 18111
1424 1 5 . 1 1 21 21 LEU HA H 46 4.417 4.417 5.301 -0.884 18111
1425 1 5 . 1 1 21 21 LEU C C 46 173.593 173.593 175.538 -1.945 18111
1426 1 5 . 1 1 21 21 LEU CA C 46 55.324 55.324 53.629 1.695 18111
1427 1 5 . 1 1 21 21 LEU CB C 46 43.775 43.775 44.370 -0.595 18111
1428 1 5 . 1 1 21 21 LEU H H 46 8.858 8.858 8.447 0.411 18111
1429 1 5 . 1 1 22 22 VAL N N 47 127.940 127.940 119.245 8.695 18111
1430 1 5 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.747 0.226 18111
1431 1 5 . 1 1 22 22 VAL C C 47 175.529 175.529 173.662 1.867 18111
1432 1 5 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.436 0.375 18111
1433 1 5 . 1 1 22 22 VAL CB C 47 32.946 32.946 35.255 -2.309 18111
1434 1 5 . 1 1 22 22 VAL H H 47 8.665 8.665 8.566 0.099 18111
1435 1 5 . 1 1 23 23 ILE N N 48 124.228 124.228 120.954 3.274 18111
1436 1 5 . 1 1 23 23 ILE HA H 48 4.606 4.606 4.872 -0.266 18111
1437 1 5 . 1 1 23 23 ILE C C 48 175.732 175.732 174.689 1.043 18111
1438 1 5 . 1 1 23 23 ILE CA C 48 60.730 60.730 59.777 0.953 18111
1439 1 5 . 1 1 23 23 ILE CB C 48 39.745 39.745 40.366 -0.621 18111
1440 1 5 . 1 1 23 23 ILE H H 48 9.374 9.374 8.639 0.735 18111
1441 1 5 . 1 1 24 24 THR N N 49 124.978 124.978 117.788 7.190 18111
1442 1 5 . 1 1 24 24 THR HA H 49 4.557 4.557 4.975 -0.418 18111
1443 1 5 . 1 1 24 24 THR C C 49 173.572 173.572 171.704 1.868 18111
1444 1 5 . 1 1 24 24 THR CA C 49 60.893 60.893 58.270 2.623 18111
1445 1 5 . 1 1 24 24 THR CB C 49 69.821 69.821 73.113 -3.292 18111
1446 1 5 . 1 1 24 24 THR H H 49 9.018 9.018 8.989 0.029 18111
1447 1 5 . 1 1 25 25 PRO HA H 50 4.804 4.804 4.671 0.133 18111
1448 1 5 . 1 1 25 25 PRO C C 50 177.913 177.913 175.953 1.960 18111
1449 1 5 . 1 1 25 25 PRO CA C 50 62.777 62.777 62.207 0.570 18111
1450 1 5 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.843 1.841 18111
1451 1 5 . 1 1 26 26 VAL N N 51 116.090 116.090 121.419 -5.329 18111
1452 1 5 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.471 -0.271 18111
1453 1 5 . 1 1 26 26 VAL C C 51 176.323 176.323 175.374 0.949 18111
1454 1 5 . 1 1 26 26 VAL CA C 51 62.777 62.777 60.300 2.477 18111
1455 1 5 . 1 1 26 26 VAL CB C 51 31.390 31.390 32.570 -1.180 18111
1456 1 5 . 1 1 26 26 VAL H H 51 8.584 8.584 8.989 -0.405 18111
1457 1 5 . 1 1 27 27 ASP N N 52 118.508 118.508 127.318 -8.810 18111
1458 1 5 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.779 -0.183 18111
1459 1 5 . 1 1 27 27 ASP C C 52 177.240 177.240 175.170 2.070 18111
1460 1 5 . 1 1 27 27 ASP CA C 52 53.358 53.358 52.632 0.726 18111
1461 1 5 . 1 1 27 27 ASP CB C 52 40.826 40.826 40.319 0.507 18111
1462 1 5 . 1 1 27 27 ASP H H 52 7.756 7.756 9.062 -1.306 18111
1463 1 5 . 1 1 28 28 GLY N N 53 107.578 107.578 113.011 -5.433 18111
1464 1 5 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.747 -0.148 18111
1465 1 5 . 1 1 28 28 GLY C C 53 174.652 174.652 173.692 0.960 18111
1466 1 5 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.296 1.281 18111
1467 1 5 . 1 1 28 28 GLY CB C 53 22.478 22.478 22.009 0.469 18111
1468 1 5 . 1 1 28 28 GLY H H 53 7.819 7.819 8.301 -0.482 18111
1469 1 5 . 1 1 29 29 SER N N 54 115.662 115.662 115.062 0.600 18111
1470 1 5 . 1 1 29 29 SER HA H 54 4.426 4.426 4.258 0.168 18111
1471 1 5 . 1 1 29 29 SER C C 54 172.696 172.696 174.507 -1.811 18111
1472 1 5 . 1 1 29 29 SER CA C 54 59.010 59.010 60.133 -1.123 18111
1473 1 5 . 1 1 29 29 SER CB C 54 63.596 63.596 63.656 -0.059 18111
1474 1 5 . 1 1 29 29 SER H H 54 7.827 7.827 8.732 -0.905 18111
1475 1 5 . 1 1 30 30 ASP N N 55 119.004 119.004 118.890 0.114 18111
1476 1 5 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.594 0.212 18111
1477 1 5 . 1 1 30 30 ASP C C 55 174.102 174.102 176.798 -2.696 18111
1478 1 5 . 1 1 30 30 ASP CA C 55 53.849 53.849 52.126 1.723 18111
1479 1 5 . 1 1 30 30 ASP CB C 55 40.335 40.335 43.242 -2.907 18111
1480 1 5 . 1 1 30 30 ASP H H 55 8.114 8.114 7.831 0.283 18111
1481 1 5 . 1 1 31 31 PRO N N 56 123.263 123.263 125.048 -1.785 18111
1482 1 5 . 1 1 31 31 PRO HA H 56 4.634 4.634 3.246 1.388 18111
1483 1 5 . 1 1 31 31 PRO C C 56 175.692 175.692 178.298 -2.606 18111
1484 1 5 . 1 1 31 31 PRO CA C 56 62.941 62.941 66.745 -3.804 18111
1485 1 5 . 1 1 31 31 PRO CB C 56 32.455 32.455 31.332 1.123 18111
1486 1 5 . 1 1 31 31 PRO H H 56 8.869 8.869 8.808 0.061 18111
1487 1 5 . 1 1 32 32 TYR N N 57 124.973 124.973 117.539 7.434 18111
1488 1 5 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.089 0.498 18111
1489 1 5 . 1 1 32 32 TYR C C 57 173.450 173.450 177.649 -4.199 18111
1490 1 5 . 1 1 32 32 TYR CA C 57 57.863 57.863 61.571 -3.708 18111
1491 1 5 . 1 1 32 32 TYR CB C 57 41.727 41.727 38.162 3.565 18111
1492 1 5 . 1 1 32 32 TYR H H 57 8.639 8.639 8.496 0.143 18111
1493 1 5 . 1 1 33 33 GLU N N 58 124.075 124.075 119.429 4.646 18111
1494 1 5 . 1 1 33 33 GLU HA H 58 5.699 5.699 4.068 1.631 18111
1495 1 5 . 1 1 33 33 GLU C C 58 173.980 173.980 178.189 -4.209 18111
1496 1 5 . 1 1 33 33 GLU CA C 58 53.686 53.686 58.923 -5.237 18111
1497 1 5 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.344 4.913 18111
1498 1 5 . 1 1 33 33 GLU H H 58 6.719 6.719 7.416 -0.697 18111
1499 1 5 . 1 1 34 34 GLU N N 59 115.961 115.961 120.494 -4.533 18111
1500 1 5 . 1 1 34 34 GLU HA H 59 4.917 4.917 4.051 0.866 18111
1501 1 5 . 1 1 34 34 GLU C C 59 174.143 174.143 178.299 -4.156 18111
1502 1 5 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.667 -4.179 18111
1503 1 5 . 1 1 34 34 GLU CB C 59 34.667 34.667 29.107 5.560 18111
1504 1 5 . 1 1 34 34 GLU H H 59 8.854 8.854 7.972 0.882 18111
1505 1 5 . 1 1 35 35 MET N N 60 117.652 117.652 117.441 0.211 18111
1506 1 5 . 1 1 35 35 MET HA H 60 4.973 4.973 3.980 0.993 18111
1507 1 5 . 1 1 35 35 MET C C 60 175.305 175.305 177.802 -2.497 18111
1508 1 5 . 1 1 35 35 MET CA C 60 53.849 53.849 59.044 -5.195 18111
1509 1 5 . 1 1 35 35 MET CB C 60 34.830 34.830 32.225 2.604 18111
1510 1 5 . 1 1 35 35 MET H H 60 8.938 8.938 8.425 0.513 18111
1511 1 5 . 1 1 36 36 ILE N N 61 118.458 118.458 118.023 0.435 18111
1512 1 5 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.924 0.569 18111
1513 1 5 . 1 1 36 36 ILE C C 61 179.326 179.326 179.350 -0.024 18111
1514 1 5 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.273 -9.773 18111
1515 1 5 . 1 1 36 36 ILE CB C 61 32.420 32.420 37.549 -5.129 18111
1516 1 5 . 1 1 36 36 ILE H H 61 8.942 8.942 7.271 1.671 18111
1517 1 5 . 1 1 37 37 PRO N N 62 119.807 119.807 120.462 -0.655 18111
1518 1 5 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.135 0.191 18111
1519 1 5 . 1 1 37 37 PRO C C 62 178.789 178.789 179.809 -1.020 18111
1520 1 5 . 1 1 37 37 PRO CA C 62 63.351 63.351 66.020 -2.669 18111
1521 1 5 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.333 0.884 18111
1522 1 5 . 1 1 37 37 PRO H H 62 8.627 8.627 8.630 -0.003 18111
1523 1 5 . 1 1 38 38 LYS N N 63 122.363 122.363 118.449 3.914 18111
1524 1 5 . 1 1 38 38 LYS HA H 63 3.794 3.794 4.084 -0.290 18111
1525 1 5 . 1 1 38 38 LYS C C 63 175.284 175.284 178.333 -3.049 18111
1526 1 5 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.828 -0.900 18111
1527 1 5 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.500 0.382 18111
1528 1 5 . 1 1 38 38 LYS H H 63 8.629 8.629 8.594 0.035 18111
1529 1 5 . 1 1 39 39 TRP N N 64 110.966 110.966 120.262 -9.296 18111
1530 1 5 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.606 -0.048 18111
1531 1 5 . 1 1 39 39 TRP C C 64 177.281 177.281 178.575 -1.294 18111
1532 1 5 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.435 -3.456 18111
1533 1 5 . 1 1 39 39 TRP CB C 64 28.524 28.524 29.825 -1.301 18111
1534 1 5 . 1 1 39 39 TRP H H 64 6.689 6.689 7.541 -0.852 18111
1535 1 5 . 1 1 40 40 ARG N N 65 120.429 120.429 119.943 0.486 18111
1536 1 5 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.104 0.068 18111
1537 1 5 . 1 1 40 40 ARG C C 65 176.059 176.059 178.430 -2.371 18111
1538 1 5 . 1 1 40 40 ARG CA C 65 55.324 55.324 59.787 -4.463 18111
1539 1 5 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.646 -2.126 18111
1540 1 5 . 1 1 40 40 ARG H H 65 6.450 6.450 8.772 -2.322 18111
1541 1 5 . 1 1 41 41 GLN N N 66 125.132 125.132 117.394 7.738 18111
1542 1 5 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.161 0.124 18111
1543 1 5 . 1 1 41 41 GLN C C 66 176.283 176.283 177.020 -0.737 18111
1544 1 5 . 1 1 41 41 GLN CA C 66 55.651 55.651 58.354 -2.703 18111
1545 1 5 . 1 1 41 41 GLN CB C 66 28.933 28.933 29.172 -0.239 18111
1546 1 5 . 1 1 41 41 GLN H H 66 9.430 9.430 8.418 1.012 18111
1547 1 5 . 1 1 42 42 LEU N N 67 127.081 127.081 117.588 9.493 18111
1548 1 5 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.305 0.668 18111
1549 1 5 . 1 1 42 42 LEU C C 67 177.179 177.179 178.783 -1.604 18111
1550 1 5 . 1 1 42 42 LEU CA C 67 53.686 53.686 57.050 -3.364 18111
1551 1 5 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.506 0.433 18111
1552 1 5 . 1 1 42 42 LEU H H 67 8.971 8.971 7.588 1.383 18111
1553 1 5 . 1 1 43 43 ASN N N 68 118.458 118.458 117.448 1.010 18111
1554 1 5 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.345 -0.570 18111
1555 1 5 . 1 1 43 43 ASN C C 68 174.265 174.265 175.044 -0.779 18111
1556 1 5 . 1 1 43 43 ASN CA C 68 52.950 52.950 57.077 -4.127 18111
1557 1 5 . 1 1 43 43 ASN CB C 68 39.499 39.499 36.614 2.885 18111
1558 1 5 . 1 1 43 43 ASN H H 68 8.898 8.898 8.603 0.295 18111
1559 1 5 . 1 1 44 44 VAL HA H 69 4.813 4.813 4.063 0.750 18111
1560 1 5 . 1 1 44 44 VAL C C 69 173.389 173.389 175.297 -1.908 18111
1561 1 5 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.623 -5.351 18111
1562 1 5 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.780 4.132 18111
1563 1 5 . 1 1 45 45 PHE N N 70 118.947 118.947 116.921 2.026 18111
1564 1 5 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.744 0.154 18111
1565 1 5 . 1 1 45 45 PHE C C 70 174.591 174.591 176.065 -1.474 18111
1566 1 5 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.763 -2.194 18111
1567 1 5 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.448 2.279 18111
1568 1 5 . 1 1 45 45 PHE H H 70 8.261 8.261 7.745 0.516 18111
1569 1 5 . 1 1 46 46 GLU N N 71 119.246 119.246 118.409 0.837 18111
1570 1 5 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.926 -0.151 18111
1571 1 5 . 1 1 46 46 GLU C C 71 177.200 177.200 175.417 1.783 18111
1572 1 5 . 1 1 46 46 GLU CA C 71 58.424 58.424 56.336 2.088 18111
1573 1 5 . 1 1 46 46 GLU H H 71 8.706 8.706 7.841 0.865 18111
1574 1 5 . 1 1 47 47 GLY N N 72 114.762 114.762 107.695 7.067 18111
1575 1 5 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.755 0.169 18111
1576 1 5 . 1 1 47 47 GLY C C 72 174.204 174.204 172.974 1.230 18111
1577 1 5 . 1 1 47 47 GLY CA C 72 44.922 44.922 44.236 0.686 18111
1578 1 5 . 1 1 47 47 GLY CB C 72 42.000 42.000 42.719 -0.719 18111
1579 1 5 . 1 1 47 47 GLY H H 72 9.345 9.345 7.741 1.604 18111
1580 1 5 . 1 1 48 48 GLU N N 73 121.519 121.519 121.047 0.472 18111
1581 1 5 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.888 -0.698 18111
1582 1 5 . 1 1 48 48 GLU C C 73 174.836 174.836 174.963 -0.127 18111
1583 1 5 . 1 1 48 48 GLU CA C 73 56.880 56.880 54.028 2.852 18111
1584 1 5 . 1 1 48 48 GLU CB C 73 30.899 30.899 33.108 -2.208 18111
1585 1 5 . 1 1 48 48 GLU H H 73 7.866 7.866 8.491 -0.625 18111
1586 1 5 . 1 1 49 49 ARG N N 74 122.680 122.680 123.255 -0.575 18111
1587 1 5 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.410 0.460 18111
1588 1 5 . 1 1 49 49 ARG C C 74 176.222 176.222 176.081 0.141 18111
1589 1 5 . 1 1 49 49 ARG CA C 74 55.488 55.488 56.266 -0.778 18111
1590 1 5 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.784 0.361 18111
1591 1 5 . 1 1 49 49 ARG H H 74 8.446 8.446 8.965 -0.519 18111
1592 1 5 . 1 1 50 50 VAL N N 75 118.810 118.810 124.134 -5.324 18111
1593 1 5 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.270 0.468 18111
1594 1 5 . 1 1 50 50 VAL C C 75 174.877 174.877 176.281 -1.404 18111
1595 1 5 . 1 1 50 50 VAL CA C 75 58.846 58.846 62.840 -3.994 18111
1596 1 5 . 1 1 50 50 VAL CB C 75 35.076 35.076 33.302 1.774 18111
1597 1 5 . 1 1 50 50 VAL H H 75 9.151 9.151 8.892 0.259 18111
1598 1 5 . 1 1 51 51 GLU N N 76 123.487 123.487 119.657 3.830 18111
1599 1 5 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.646 -0.031 18111
1600 1 5 . 1 1 51 51 GLU C C 76 175.631 175.631 173.980 1.651 18111
1601 1 5 . 1 1 51 51 GLU CA C 76 53.112 53.112 56.418 -3.306 18111
1602 1 5 . 1 1 51 51 GLU CB C 76 31.390 31.390 33.887 -2.497 18111
1603 1 5 . 1 1 51 51 GLU H H 76 8.787 8.787 7.655 1.132 18111
1604 1 5 . 1 1 52 52 ARG N N 77 122.407 122.407 117.354 5.053 18111
1605 1 5 . 1 1 52 52 ARG HA H 77 3.351 3.351 4.920 -1.569 18111
1606 1 5 . 1 1 52 52 ARG C C 77 177.220 177.220 174.640 2.580 18111
1607 1 5 . 1 1 52 52 ARG CA C 77 57.693 57.693 53.907 3.785 18111
1608 1 5 . 1 1 52 52 ARG CB C 77 29.342 29.342 33.687 -4.345 18111
1609 1 5 . 1 1 52 52 ARG H H 77 8.160 8.160 8.358 -0.198 18111
1610 1 5 . 1 1 53 53 GLY N N 78 116.273 116.273 111.418 4.855 18111
1611 1 5 . 1 1 53 53 GLY C C 78 173.715 173.715 172.615 1.100 18111
1612 1 5 . 1 1 53 53 GLY CA C 78 44.840 44.840 41.577 3.263 18111
1613 1 5 . 1 1 53 53 GLY CB C 78 31.660 31.660 31.522 0.138 18111
1614 1 5 . 1 1 53 53 GLY H H 78 9.194 9.194 9.150 0.044 18111
1615 1 5 . 1 1 54 54 ASP HA H 79 4.540 4.540 5.162 -0.622 18111
1616 1 5 . 1 1 54 54 ASP C C 79 176.099 176.099 175.094 1.005 18111
1617 1 5 . 1 1 54 54 ASP CA C 79 54.669 54.669 53.674 0.995 18111
1618 1 5 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.412 -0.586 18111
1619 1 5 . 1 1 55 55 VAL N N 80 120.501 120.501 125.034 -4.533 18111
1620 1 5 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.351 -0.551 18111
1621 1 5 . 1 1 55 55 VAL C C 80 175.957 175.957 175.339 0.618 18111
1622 1 5 . 1 1 55 55 VAL CA C 80 64.255 64.255 60.347 3.908 18111
1623 1 5 . 1 1 55 55 VAL CB C 80 31.533 31.533 32.831 -1.298 18111
1624 1 5 . 1 1 55 55 VAL H H 80 8.658 8.658 8.797 -0.139 18111
1625 1 5 . 1 1 56 56 ILE N N 81 128.523 128.523 129.110 -0.587 18111
1626 1 5 . 1 1 56 56 ILE HA H 81 4.228 4.228 4.154 0.074 18111
1627 1 5 . 1 1 56 56 ILE C C 81 175.957 175.957 175.509 0.448 18111
1628 1 5 . 1 1 56 56 ILE CA C 81 61.785 61.785 62.621 -0.836 18111
1629 1 5 . 1 1 56 56 ILE CB C 81 37.300 37.300 38.131 -0.831 18111
1630 1 5 . 1 1 56 56 ILE H H 81 8.905 8.905 8.661 0.244 18111
1631 1 5 . 1 1 57 57 SER N N 82 112.225 112.225 125.097 -12.872 18111
1632 1 5 . 1 1 57 57 SER HA H 82 4.851 4.851 4.924 -0.073 18111
1633 1 5 . 1 1 57 57 SER C C 82 173.959 173.959 173.495 0.464 18111
1634 1 5 . 1 1 57 57 SER CA C 82 57.289 57.289 55.469 1.820 18111
1635 1 5 . 1 1 57 57 SER CB C 82 64.825 64.825 63.651 1.174 18111
1636 1 5 . 1 1 57 57 SER H H 82 7.671 7.671 8.612 -0.941 18111
1637 1 5 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.526 -0.005 18111
1638 1 5 . 1 1 58 58 ASP C C 83 175.427 175.427 176.239 -0.812 18111
1639 1 5 . 1 1 58 58 ASP CA C 83 55.078 55.078 54.929 0.149 18111
1640 1 5 . 1 1 58 58 ASP CB C 83 41.727 41.727 41.077 0.650 18111
1641 1 6 . 1 1 2 2 LEU N N 27 128.700 128.700 122.091 6.609 18111
1642 1 6 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.400 0.658 18111
1643 1 6 . 1 1 2 2 LEU C C 27 177.649 177.649 175.005 2.644 18111
1644 1 6 . 1 1 2 2 LEU CA C 27 52.539 52.539 55.086 -2.547 18111
1645 1 6 . 1 1 2 2 LEU H H 27 8.701 8.701 7.610 1.091 18111
1646 1 6 . 1 1 3 3 ALA N N 28 124.154 124.154 125.342 -1.188 18111
1647 1 6 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.394 -0.354 18111
1648 1 6 . 1 1 3 3 ALA C C 28 179.462 179.462 176.924 2.538 18111
1649 1 6 . 1 1 3 3 ALA CA C 28 51.966 51.966 51.263 0.703 18111
1650 1 6 . 1 1 3 3 ALA CB C 28 18.040 18.040 20.841 -2.801 18111
1651 1 6 . 1 1 3 3 ALA H H 28 9.243 9.243 8.009 1.234 18111
1652 1 6 . 1 1 4 4 GLU N N 29 126.521 126.521 121.201 5.320 18111
1653 1 6 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.623 -0.687 18111
1654 1 6 . 1 1 4 4 GLU C C 29 175.569 175.569 176.391 -0.822 18111
1655 1 6 . 1 1 4 4 GLU CA C 29 57.320 57.320 55.737 1.583 18111
1656 1 6 . 1 1 4 4 GLU CB C 29 30.056 30.056 29.845 0.211 18111
1657 1 6 . 1 1 4 4 GLU H H 29 8.342 8.342 8.438 -0.096 18111
1658 1 6 . 1 1 5 5 ILE N N 30 107.034 107.034 124.320 -17.286 18111
1659 1 6 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.265 0.122 18111
1660 1 6 . 1 1 5 5 ILE C C 30 172.899 172.899 175.354 -2.455 18111
1661 1 6 . 1 1 5 5 ILE CA C 30 58.682 58.682 60.839 -2.157 18111
1662 1 6 . 1 1 5 5 ILE CB C 30 42.956 42.956 38.858 4.098 18111
1663 1 6 . 1 1 5 5 ILE H H 30 6.701 6.701 8.384 -1.683 18111
1664 1 6 . 1 1 6 6 SER N N 31 112.862 112.862 116.783 -3.921 18111
1665 1 6 . 1 1 6 6 SER HA H 31 4.766 4.766 4.345 0.421 18111
1666 1 6 . 1 1 6 6 SER C C 31 174.795 174.795 173.153 1.642 18111
1667 1 6 . 1 1 6 6 SER CA C 31 56.389 56.389 58.107 -1.718 18111
1668 1 6 . 1 1 6 6 SER CB C 31 64.006 64.006 64.687 -0.681 18111
1669 1 6 . 1 1 6 6 SER H H 31 7.887 7.887 8.236 -0.349 18111
1670 1 6 . 1 1 7 7 GLY N N 32 110.064 110.064 110.969 -0.905 18111
1671 1 6 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.933 -0.335 18111
1672 1 6 . 1 1 7 7 GLY C C 32 170.516 170.516 174.414 -3.898 18111
1673 1 6 . 1 1 7 7 GLY CA C 32 45.741 45.741 44.511 1.230 18111
1674 1 6 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.436 0.552 18111
1675 1 6 . 1 1 7 7 GLY H H 32 8.575 8.575 8.226 0.349 18111
1676 1 6 . 1 1 8 8 ILE N N 33 120.398 120.398 119.876 0.522 18111
1677 1 6 . 1 1 8 8 ILE HA H 33 4.624 4.624 3.876 0.748 18111
1678 1 6 . 1 1 8 8 ILE C C 33 177.404 177.404 176.397 1.007 18111
1679 1 6 . 1 1 8 8 ILE CA C 33 59.338 59.338 62.969 -3.631 18111
1680 1 6 . 1 1 8 8 ILE CB C 33 38.573 38.573 38.300 0.273 18111
1681 1 6 . 1 1 8 8 ILE H H 33 8.446 8.446 8.537 -0.091 18111
1682 1 6 . 1 1 9 9 VAL N N 34 131.785 131.785 119.518 12.267 18111
1683 1 6 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.215 0.485 18111
1684 1 6 . 1 1 9 9 VAL C C 34 175.243 175.243 174.668 0.575 18111
1685 1 6 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.221 2.408 18111
1686 1 6 . 1 1 9 9 VAL CB C 34 32.815 32.815 32.809 0.005 18111
1687 1 6 . 1 1 9 9 VAL H H 34 8.993 8.993 7.754 1.239 18111
1688 1 6 . 1 1 10 10 SER N N 35 122.774 122.774 115.667 7.107 18111
1689 1 6 . 1 1 10 10 SER HA H 35 4.219 4.219 4.153 0.066 18111
1690 1 6 . 1 1 10 10 SER C C 35 170.515 170.515 171.706 -1.191 18111
1691 1 6 . 1 1 10 10 SER CA C 35 58.027 58.027 57.202 0.826 18111
1692 1 6 . 1 1 10 10 SER CB C 35 65.234 65.234 64.039 1.195 18111
1693 1 6 . 1 1 10 10 SER H H 35 9.670 9.670 7.922 1.748 18111
1694 1 6 . 1 1 11 11 PHE N N 36 115.035 115.035 120.785 -5.750 18111
1695 1 6 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.508 1.267 18111
1696 1 6 . 1 1 11 11 PHE C C 36 177.567 177.567 173.762 3.805 18111
1697 1 6 . 1 1 11 11 PHE CA C 36 55.897 55.897 55.844 0.053 18111
1698 1 6 . 1 1 11 11 PHE CB C 36 40.663 40.663 42.527 -1.864 18111
1699 1 6 . 1 1 11 11 PHE H H 36 8.500 8.500 7.777 0.723 18111
1700 1 6 . 1 1 12 12 GLY N N 37 110.705 110.705 110.387 0.318 18111
1701 1 6 . 1 1 12 12 GLY HA H 37 5.473 5.473 4.825 0.648 18111
1702 1 6 . 1 1 12 12 GLY C C 37 173.960 173.960 173.360 0.600 18111
1703 1 6 . 1 1 12 12 GLY CA C 37 43.611 43.611 43.436 0.175 18111
1704 1 6 . 1 1 12 12 GLY CB C 37 32.225 32.225 30.427 1.798 18111
1705 1 6 . 1 1 12 12 GLY H H 37 9.179 9.179 8.419 0.760 18111
1706 1 6 . 1 1 13 13 LYS N N 38 123.737 123.737 126.346 -2.609 18111
1707 1 6 . 1 1 13 13 LYS HA H 38 4.219 4.219 4.998 -0.779 18111
1708 1 6 . 1 1 13 13 LYS C C 38 176.364 176.364 175.982 0.382 18111
1709 1 6 . 1 1 13 13 LYS CA C 38 57.371 57.371 54.946 2.425 18111
1710 1 6 . 1 1 13 13 LYS CB C 38 32.783 32.783 32.726 0.057 18111
1711 1 6 . 1 1 13 13 LYS H H 38 8.716 8.716 9.258 -0.542 18111
1712 1 6 . 1 1 14 14 GLU N N 39 126.129 126.129 130.149 -4.020 18111
1713 1 6 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.500 0.068 18111
1714 1 6 . 1 1 14 14 GLU C C 39 177.118 177.118 176.224 0.894 18111
1715 1 6 . 1 1 14 14 GLU CA C 39 56.716 56.716 57.399 -0.683 18111
1716 1 6 . 1 1 14 14 GLU CB C 39 30.571 30.571 28.577 1.994 18111
1717 1 6 . 1 1 14 14 GLU H H 39 8.582 8.582 8.620 -0.038 18111
1718 1 6 . 1 1 15 15 THR N N 40 117.595 117.595 116.256 1.339 18111
1719 1 6 . 1 1 15 15 THR HA H 40 4.543 4.543 4.931 -0.388 18111
1720 1 6 . 1 1 15 15 THR C C 40 173.063 173.063 172.146 0.917 18111
1721 1 6 . 1 1 15 15 THR CA C 40 61.057 61.057 58.767 2.290 18111
1722 1 6 . 1 1 15 15 THR CB C 40 70.968 70.968 71.226 -0.258 18111
1723 1 6 . 1 1 15 15 THR H H 40 8.202 8.202 9.038 -0.836 18111
1724 1 6 . 1 1 16 16 LYS N N 41 120.682 120.682 123.078 -2.396 18111
1725 1 6 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.447 0.225 18111
1726 1 6 . 1 1 16 16 LYS C C 41 176.162 176.162 174.959 1.203 18111
1727 1 6 . 1 1 16 16 LYS CA C 41 54.311 54.311 54.376 -0.065 18111
1728 1 6 . 1 1 16 16 LYS CB C 41 41.241 41.241 34.650 6.591 18111
1729 1 6 . 1 1 16 16 LYS H H 41 9.220 9.220 8.801 0.419 18111
1730 1 6 . 1 1 17 17 GLY N N 42 115.021 115.021 114.554 0.467 18111
1731 1 6 . 1 1 17 17 GLY CA C 42 46.396 46.396 43.562 2.834 18111
1732 1 6 . 1 1 17 17 GLY H H 42 7.904 7.904 7.836 0.068 18111
1733 1 6 . 1 1 18 18 LYS N N 43 121.239 121.239 121.536 -0.297 18111
1734 1 6 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.213 0.506 18111
1735 1 6 . 1 1 18 18 LYS C C 43 175.095 175.095 175.632 -0.537 18111
1736 1 6 . 1 1 18 18 LYS CA C 43 54.505 54.505 59.105 -4.600 18111
1737 1 6 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.550 2.198 18111
1738 1 6 . 1 1 18 18 LYS H H 43 8.323 8.323 8.628 -0.305 18111
1739 1 6 . 1 1 19 19 ARG N N 44 118.685 118.685 120.214 -1.529 18111
1740 1 6 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.350 0.124 18111
1741 1 6 . 1 1 19 19 ARG C C 44 174.184 174.184 175.903 -1.719 18111
1742 1 6 . 1 1 19 19 ARG CA C 44 54.423 54.423 56.679 -2.256 18111
1743 1 6 . 1 1 19 19 ARG CB C 44 32.619 32.619 31.631 0.988 18111
1744 1 6 . 1 1 19 19 ARG H H 44 8.936 8.936 8.558 0.378 18111
1745 1 6 . 1 1 20 20 ARG N N 45 126.346 126.346 118.792 7.554 18111
1746 1 6 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.555 0.503 18111
1747 1 6 . 1 1 20 20 ARG C C 45 174.999 174.999 174.851 0.148 18111
1748 1 6 . 1 1 20 20 ARG CA C 45 54.095 54.095 55.256 -1.161 18111
1749 1 6 . 1 1 20 20 ARG CB C 45 32.298 32.298 32.905 -0.607 18111
1750 1 6 . 1 1 20 20 ARG H H 45 8.881 8.881 8.013 0.868 18111
1751 1 6 . 1 1 21 21 LEU N N 46 130.427 130.427 125.495 4.932 18111
1752 1 6 . 1 1 21 21 LEU HA H 46 4.417 4.417 4.540 -0.123 18111
1753 1 6 . 1 1 21 21 LEU C C 46 173.593 173.593 175.506 -1.913 18111
1754 1 6 . 1 1 21 21 LEU CA C 46 55.324 55.324 54.078 1.246 18111
1755 1 6 . 1 1 21 21 LEU CB C 46 43.775 43.775 42.669 1.106 18111
1756 1 6 . 1 1 21 21 LEU H H 46 8.858 8.858 8.073 0.785 18111
1757 1 6 . 1 1 22 22 VAL N N 47 127.940 127.940 119.048 8.892 18111
1758 1 6 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.515 0.458 18111
1759 1 6 . 1 1 22 22 VAL C C 47 175.529 175.529 173.651 1.878 18111
1760 1 6 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.458 0.353 18111
1761 1 6 . 1 1 22 22 VAL CB C 47 32.946 32.946 34.713 -1.767 18111
1762 1 6 . 1 1 22 22 VAL H H 47 8.665 8.665 8.480 0.185 18111
1763 1 6 . 1 1 23 23 ILE N N 48 124.228 124.228 122.202 2.026 18111
1764 1 6 . 1 1 23 23 ILE HA H 48 4.606 4.606 4.589 0.017 18111
1765 1 6 . 1 1 23 23 ILE C C 48 175.732 175.732 175.183 0.549 18111
1766 1 6 . 1 1 23 23 ILE CA C 48 60.730 60.730 60.588 0.142 18111
1767 1 6 . 1 1 23 23 ILE CB C 48 39.745 39.745 39.028 0.717 18111
1768 1 6 . 1 1 23 23 ILE H H 48 9.374 9.374 8.611 0.763 18111
1769 1 6 . 1 1 24 24 THR N N 49 124.978 124.978 120.031 4.947 18111
1770 1 6 . 1 1 24 24 THR HA H 49 4.557 4.557 5.187 -0.630 18111
1771 1 6 . 1 1 24 24 THR C C 49 173.572 173.572 172.362 1.210 18111
1772 1 6 . 1 1 24 24 THR CA C 49 60.893 60.893 57.938 2.955 18111
1773 1 6 . 1 1 24 24 THR CB C 49 69.821 69.821 72.190 -2.369 18111
1774 1 6 . 1 1 24 24 THR H H 49 9.018 9.018 9.074 -0.056 18111
1775 1 6 . 1 1 25 25 PRO HA H 50 4.804 4.804 5.065 -0.261 18111
1776 1 6 . 1 1 25 25 PRO C C 50 177.913 177.913 175.940 1.973 18111
1777 1 6 . 1 1 25 25 PRO CA C 50 62.777 62.777 62.476 0.301 18111
1778 1 6 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.895 1.789 18111
1779 1 6 . 1 1 26 26 VAL N N 51 116.090 116.090 120.988 -4.898 18111
1780 1 6 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.036 0.164 18111
1781 1 6 . 1 1 26 26 VAL C C 51 176.323 176.323 175.439 0.884 18111
1782 1 6 . 1 1 26 26 VAL CA C 51 62.777 62.777 59.884 2.893 18111
1783 1 6 . 1 1 26 26 VAL CB C 51 31.390 31.390 32.639 -1.248 18111
1784 1 6 . 1 1 26 26 VAL H H 51 8.584 8.584 8.168 0.416 18111
1785 1 6 . 1 1 27 27 ASP N N 52 118.508 118.508 126.578 -8.070 18111
1786 1 6 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.766 -0.170 18111
1787 1 6 . 1 1 27 27 ASP C C 52 177.240 177.240 174.542 2.698 18111
1788 1 6 . 1 1 27 27 ASP CA C 52 53.358 53.358 53.162 0.196 18111
1789 1 6 . 1 1 27 27 ASP CB C 52 40.826 40.826 40.996 -0.170 18111
1790 1 6 . 1 1 27 27 ASP H H 52 7.756 7.756 8.698 -0.942 18111
1791 1 6 . 1 1 28 28 GLY N N 53 107.578 107.578 111.479 -3.901 18111
1792 1 6 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.729 -0.130 18111
1793 1 6 . 1 1 28 28 GLY C C 53 174.652 174.652 173.409 1.243 18111
1794 1 6 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.267 1.310 18111
1795 1 6 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.457 1.021 18111
1796 1 6 . 1 1 28 28 GLY H H 53 7.819 7.819 8.168 -0.349 18111
1797 1 6 . 1 1 29 29 SER N N 54 115.662 115.662 113.275 2.387 18111
1798 1 6 . 1 1 29 29 SER HA H 54 4.426 4.426 4.596 -0.170 18111
1799 1 6 . 1 1 29 29 SER C C 54 172.696 172.696 174.626 -1.930 18111
1800 1 6 . 1 1 29 29 SER CA C 54 59.010 59.010 60.077 -1.067 18111
1801 1 6 . 1 1 29 29 SER CB C 54 63.596 63.596 63.516 0.081 18111
1802 1 6 . 1 1 29 29 SER H H 54 7.827 7.827 8.749 -0.922 18111
1803 1 6 . 1 1 30 30 ASP N N 55 119.004 119.004 118.773 0.231 18111
1804 1 6 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.549 0.257 18111
1805 1 6 . 1 1 30 30 ASP C C 55 174.102 174.102 176.106 -2.004 18111
1806 1 6 . 1 1 30 30 ASP CA C 55 53.849 53.849 52.486 1.363 18111
1807 1 6 . 1 1 30 30 ASP CB C 55 40.335 40.335 43.149 -2.814 18111
1808 1 6 . 1 1 30 30 ASP H H 55 8.114 8.114 7.735 0.379 18111
1809 1 6 . 1 1 31 31 PRO N N 56 123.263 123.263 124.741 -1.478 18111
1810 1 6 . 1 1 31 31 PRO HA H 56 4.634 4.634 3.891 0.743 18111
1811 1 6 . 1 1 31 31 PRO C C 56 175.692 175.692 177.942 -2.250 18111
1812 1 6 . 1 1 31 31 PRO CA C 56 62.941 62.941 66.158 -3.217 18111
1813 1 6 . 1 1 31 31 PRO CB C 56 32.455 32.455 30.934 1.521 18111
1814 1 6 . 1 1 31 31 PRO H H 56 8.869 8.869 8.571 0.298 18111
1815 1 6 . 1 1 32 32 TYR N N 57 124.973 124.973 115.240 9.733 18111
1816 1 6 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.103 0.484 18111
1817 1 6 . 1 1 32 32 TYR C C 57 173.450 173.450 177.732 -4.282 18111
1818 1 6 . 1 1 32 32 TYR CA C 57 57.863 57.863 61.671 -3.808 18111
1819 1 6 . 1 1 32 32 TYR CB C 57 41.727 41.727 37.288 4.439 18111
1820 1 6 . 1 1 32 32 TYR H H 57 8.639 8.639 8.451 0.188 18111
1821 1 6 . 1 1 33 33 GLU N N 58 124.075 124.075 120.464 3.611 18111
1822 1 6 . 1 1 33 33 GLU HA H 58 5.699 5.699 4.078 1.621 18111
1823 1 6 . 1 1 33 33 GLU C C 58 173.980 173.980 177.992 -4.012 18111
1824 1 6 . 1 1 33 33 GLU CA C 58 53.686 53.686 58.570 -4.884 18111
1825 1 6 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.334 4.923 18111
1826 1 6 . 1 1 33 33 GLU H H 58 6.719 6.719 7.456 -0.737 18111
1827 1 6 . 1 1 34 34 GLU N N 59 115.961 115.961 119.808 -3.847 18111
1828 1 6 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.985 0.932 18111
1829 1 6 . 1 1 34 34 GLU C C 59 174.143 174.143 178.147 -4.004 18111
1830 1 6 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.265 -3.777 18111
1831 1 6 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.597 6.070 18111
1832 1 6 . 1 1 34 34 GLU H H 59 8.854 8.854 7.935 0.919 18111
1833 1 6 . 1 1 35 35 MET N N 60 117.652 117.652 117.874 -0.222 18111
1834 1 6 . 1 1 35 35 MET HA H 60 4.973 4.973 3.981 0.992 18111
1835 1 6 . 1 1 35 35 MET C C 60 175.305 175.305 178.168 -2.863 18111
1836 1 6 . 1 1 35 35 MET CA C 60 53.849 53.849 58.272 -4.423 18111
1837 1 6 . 1 1 35 35 MET CB C 60 34.830 34.830 31.974 2.856 18111
1838 1 6 . 1 1 35 35 MET H H 60 8.938 8.938 8.058 0.880 18111
1839 1 6 . 1 1 36 36 ILE N N 61 118.458 118.458 118.837 -0.379 18111
1840 1 6 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.813 0.680 18111
1841 1 6 . 1 1 36 36 ILE C C 61 179.326 179.326 179.304 0.022 18111
1842 1 6 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.362 -9.862 18111
1843 1 6 . 1 1 36 36 ILE CB C 61 32.420 32.420 37.708 -5.288 18111
1844 1 6 . 1 1 36 36 ILE H H 61 8.942 8.942 7.400 1.542 18111
1845 1 6 . 1 1 37 37 PRO N N 62 119.807 119.807 119.728 0.079 18111
1846 1 6 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.303 0.023 18111
1847 1 6 . 1 1 37 37 PRO C C 62 178.789 178.789 179.863 -1.074 18111
1848 1 6 . 1 1 37 37 PRO CA C 62 63.351 63.351 65.536 -2.185 18111
1849 1 6 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.653 0.564 18111
1850 1 6 . 1 1 37 37 PRO H H 62 8.627 8.627 7.639 0.988 18111
1851 1 6 . 1 1 38 38 LYS N N 63 122.363 122.363 119.747 2.616 18111
1852 1 6 . 1 1 38 38 LYS HA H 63 3.794 3.794 3.610 0.184 18111
1853 1 6 . 1 1 38 38 LYS C C 63 175.284 175.284 177.596 -2.312 18111
1854 1 6 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.348 -0.420 18111
1855 1 6 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.483 0.399 18111
1856 1 6 . 1 1 38 38 LYS H H 63 8.629 8.629 8.497 0.132 18111
1857 1 6 . 1 1 39 39 TRP N N 64 110.966 110.966 119.398 -8.432 18111
1858 1 6 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.497 0.061 18111
1859 1 6 . 1 1 39 39 TRP C C 64 177.281 177.281 178.367 -1.086 18111
1860 1 6 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.499 -3.521 18111
1861 1 6 . 1 1 39 39 TRP CB C 64 28.524 28.524 29.981 -1.457 18111
1862 1 6 . 1 1 39 39 TRP H H 64 6.689 6.689 7.333 -0.644 18111
1863 1 6 . 1 1 40 40 ARG N N 65 120.429 120.429 119.250 1.179 18111
1864 1 6 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.134 0.038 18111
1865 1 6 . 1 1 40 40 ARG C C 65 176.059 176.059 178.456 -2.397 18111
1866 1 6 . 1 1 40 40 ARG CA C 65 55.324 55.324 59.844 -4.520 18111
1867 1 6 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.753 -2.233 18111
1868 1 6 . 1 1 40 40 ARG H H 65 6.450 6.450 8.111 -1.661 18111
1869 1 6 . 1 1 41 41 GLN N N 66 125.132 125.132 116.977 8.155 18111
1870 1 6 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.353 -0.068 18111
1871 1 6 . 1 1 41 41 GLN C C 66 176.283 176.283 177.111 -0.828 18111
1872 1 6 . 1 1 41 41 GLN CA C 66 55.651 55.651 58.288 -2.637 18111
1873 1 6 . 1 1 41 41 GLN CB C 66 28.933 28.933 29.608 -0.675 18111
1874 1 6 . 1 1 41 41 GLN H H 66 9.430 9.430 8.303 1.127 18111
1875 1 6 . 1 1 42 42 LEU N N 67 127.081 127.081 118.269 8.812 18111
1876 1 6 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.407 0.566 18111
1877 1 6 . 1 1 42 42 LEU C C 67 177.179 177.179 178.958 -1.779 18111
1878 1 6 . 1 1 42 42 LEU CA C 67 53.686 53.686 57.128 -3.442 18111
1879 1 6 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.416 0.523 18111
1880 1 6 . 1 1 42 42 LEU H H 67 8.971 8.971 7.747 1.224 18111
1881 1 6 . 1 1 43 43 ASN N N 68 118.458 118.458 117.996 0.462 18111
1882 1 6 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.067 -0.292 18111
1883 1 6 . 1 1 43 43 ASN C C 68 174.265 174.265 174.474 -0.209 18111
1884 1 6 . 1 1 43 43 ASN CA C 68 52.950 52.950 56.419 -3.469 18111
1885 1 6 . 1 1 43 43 ASN CB C 68 39.499 39.499 35.751 3.748 18111
1886 1 6 . 1 1 43 43 ASN H H 68 8.898 8.898 8.577 0.321 18111
1887 1 6 . 1 1 44 44 VAL HA H 69 4.813 4.813 4.092 0.721 18111
1888 1 6 . 1 1 44 44 VAL C C 69 173.389 173.389 175.561 -2.172 18111
1889 1 6 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.364 -5.092 18111
1890 1 6 . 1 1 44 44 VAL CB C 69 34.912 34.912 31.043 3.869 18111
1891 1 6 . 1 1 45 45 PHE N N 70 118.947 118.947 115.963 2.984 18111
1892 1 6 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.649 0.249 18111
1893 1 6 . 1 1 45 45 PHE C C 70 174.591 174.591 176.085 -1.494 18111
1894 1 6 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.858 -2.289 18111
1895 1 6 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.390 2.337 18111
1896 1 6 . 1 1 45 45 PHE H H 70 8.261 8.261 7.679 0.582 18111
1897 1 6 . 1 1 46 46 GLU N N 71 119.246 119.246 117.455 1.791 18111
1898 1 6 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.970 -0.195 18111
1899 1 6 . 1 1 46 46 GLU C C 71 177.200 177.200 175.755 1.445 18111
1900 1 6 . 1 1 46 46 GLU CA C 71 58.424 58.424 55.938 2.486 18111
1901 1 6 . 1 1 46 46 GLU H H 71 8.706 8.706 7.547 1.159 18111
1902 1 6 . 1 1 47 47 GLY N N 72 114.762 114.762 109.389 5.373 18111
1903 1 6 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.632 0.292 18111
1904 1 6 . 1 1 47 47 GLY C C 72 174.204 174.204 173.756 0.448 18111
1905 1 6 . 1 1 47 47 GLY CA C 72 44.922 44.922 43.665 1.257 18111
1906 1 6 . 1 1 47 47 GLY CB C 72 42.000 42.000 40.345 1.655 18111
1907 1 6 . 1 1 47 47 GLY H H 72 9.345 9.345 8.060 1.285 18111
1908 1 6 . 1 1 48 48 GLU N N 73 121.519 121.519 126.444 -4.925 18111
1909 1 6 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.528 -0.338 18111
1910 1 6 . 1 1 48 48 GLU C C 73 174.836 174.836 176.224 -1.388 18111
1911 1 6 . 1 1 48 48 GLU CA C 73 56.880 56.880 54.620 2.260 18111
1912 1 6 . 1 1 48 48 GLU CB C 73 30.899 30.899 30.129 0.770 18111
1913 1 6 . 1 1 48 48 GLU H H 73 7.866 7.866 8.803 -0.937 18111
1914 1 6 . 1 1 49 49 ARG N N 74 122.680 122.680 123.154 -0.474 18111
1915 1 6 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.071 0.799 18111
1916 1 6 . 1 1 49 49 ARG C C 74 176.222 176.222 175.700 0.522 18111
1917 1 6 . 1 1 49 49 ARG CA C 74 55.488 55.488 57.300 -1.812 18111
1918 1 6 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.215 0.930 18111
1919 1 6 . 1 1 49 49 ARG H H 74 8.446 8.446 8.307 0.139 18111
1920 1 6 . 1 1 50 50 VAL N N 75 118.810 118.810 126.670 -7.860 18111
1921 1 6 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.256 0.482 18111
1922 1 6 . 1 1 50 50 VAL C C 75 174.877 174.877 176.235 -1.358 18111
1923 1 6 . 1 1 50 50 VAL CA C 75 58.846 58.846 63.142 -4.296 18111
1924 1 6 . 1 1 50 50 VAL CB C 75 35.076 35.076 32.893 2.183 18111
1925 1 6 . 1 1 50 50 VAL H H 75 9.151 9.151 8.882 0.269 18111
1926 1 6 . 1 1 51 51 GLU N N 76 123.487 123.487 118.961 4.526 18111
1927 1 6 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.726 -0.111 18111
1928 1 6 . 1 1 51 51 GLU C C 76 175.631 175.631 174.293 1.338 18111
1929 1 6 . 1 1 51 51 GLU CA C 76 53.112 53.112 55.361 -2.249 18111
1930 1 6 . 1 1 51 51 GLU CB C 76 31.390 31.390 34.318 -2.928 18111
1931 1 6 . 1 1 51 51 GLU H H 76 8.787 8.787 8.318 0.469 18111
1932 1 6 . 1 1 52 52 ARG N N 77 122.407 122.407 119.662 2.745 18111
1933 1 6 . 1 1 52 52 ARG HA H 77 3.351 3.351 5.194 -1.843 18111
1934 1 6 . 1 1 52 52 ARG C C 77 177.220 177.220 174.352 2.868 18111
1935 1 6 . 1 1 52 52 ARG CA C 77 57.693 57.693 53.552 4.141 18111
1936 1 6 . 1 1 52 52 ARG CB C 77 29.342 29.342 34.062 -4.720 18111
1937 1 6 . 1 1 52 52 ARG H H 77 8.160 8.160 8.339 -0.179 18111
1938 1 6 . 1 1 53 53 GLY N N 78 116.273 116.273 115.554 0.719 18111
1939 1 6 . 1 1 53 53 GLY C C 78 173.715 173.715 172.602 1.113 18111
1940 1 6 . 1 1 53 53 GLY CA C 78 44.840 44.840 41.424 3.416 18111
1941 1 6 . 1 1 53 53 GLY CB C 78 31.660 31.660 32.125 -0.465 18111
1942 1 6 . 1 1 53 53 GLY H H 78 9.194 9.194 8.833 0.361 18111
1943 1 6 . 1 1 54 54 ASP HA H 79 4.540 4.540 5.097 -0.557 18111
1944 1 6 . 1 1 54 54 ASP C C 79 176.099 176.099 176.027 0.072 18111
1945 1 6 . 1 1 54 54 ASP CA C 79 54.669 54.669 53.364 1.305 18111
1946 1 6 . 1 1 54 54 ASP CB C 79 40.826 40.826 42.030 -1.204 18111
1947 1 6 . 1 1 55 55 VAL N N 80 120.501 120.501 120.312 0.189 18111
1948 1 6 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.056 -0.256 18111
1949 1 6 . 1 1 55 55 VAL C C 80 175.957 175.957 176.424 -0.467 18111
1950 1 6 . 1 1 55 55 VAL CA C 80 64.255 64.255 61.868 2.387 18111
1951 1 6 . 1 1 55 55 VAL CB C 80 31.533 31.533 29.867 1.666 18111
1952 1 6 . 1 1 55 55 VAL H H 80 8.658 8.658 8.371 0.287 18111
1953 1 6 . 1 1 56 56 ILE N N 81 128.523 128.523 128.294 0.229 18111
1954 1 6 . 1 1 56 56 ILE HA H 81 4.228 4.228 4.147 0.081 18111
1955 1 6 . 1 1 56 56 ILE C C 81 175.957 175.957 174.998 0.959 18111
1956 1 6 . 1 1 56 56 ILE CA C 81 61.785 61.785 61.249 0.535 18111
1957 1 6 . 1 1 56 56 ILE CB C 81 37.300 37.300 37.515 -0.215 18111
1958 1 6 . 1 1 56 56 ILE H H 81 8.905 8.905 8.258 0.647 18111
1959 1 6 . 1 1 57 57 SER N N 82 112.225 112.225 124.279 -12.054 18111
1960 1 6 . 1 1 57 57 SER HA H 82 4.851 4.851 4.956 -0.105 18111
1961 1 6 . 1 1 57 57 SER C C 82 173.959 173.959 172.126 1.833 18111
1962 1 6 . 1 1 57 57 SER CA C 82 57.289 57.289 56.329 0.960 18111
1963 1 6 . 1 1 57 57 SER CB C 82 64.825 64.825 63.344 1.481 18111
1964 1 6 . 1 1 57 57 SER H H 82 7.671 7.671 8.289 -0.618 18111
1965 1 6 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.863 -0.342 18111
1966 1 6 . 1 1 58 58 ASP C C 83 175.427 175.427 175.692 -0.265 18111
1967 1 6 . 1 1 58 58 ASP CA C 83 55.078 55.078 53.352 1.726 18111
1968 1 6 . 1 1 58 58 ASP CB C 83 41.727 41.727 39.723 2.004 18111
1969 1 7 . 1 1 2 2 LEU N N 27 128.700 128.700 124.863 3.837 18111
1970 1 7 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.301 0.757 18111
1971 1 7 . 1 1 2 2 LEU C C 27 177.649 177.649 175.229 2.420 18111
1972 1 7 . 1 1 2 2 LEU CA C 27 52.539 52.539 55.634 -3.095 18111
1973 1 7 . 1 1 2 2 LEU H H 27 8.701 8.701 8.210 0.491 18111
1974 1 7 . 1 1 3 3 ALA N N 28 124.154 124.154 121.182 2.972 18111
1975 1 7 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.534 -0.494 18111
1976 1 7 . 1 1 3 3 ALA C C 28 179.462 179.462 176.048 3.414 18111
1977 1 7 . 1 1 3 3 ALA CA C 28 51.966 51.966 52.090 -0.124 18111
1978 1 7 . 1 1 3 3 ALA CB C 28 18.040 18.040 20.233 -2.193 18111
1979 1 7 . 1 1 3 3 ALA H H 28 9.243 9.243 8.029 1.214 18111
1980 1 7 . 1 1 4 4 GLU N N 29 126.521 126.521 121.384 5.137 18111
1981 1 7 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.510 -0.574 18111
1982 1 7 . 1 1 4 4 GLU C C 29 175.569 175.569 174.881 0.688 18111
1983 1 7 . 1 1 4 4 GLU CA C 29 57.320 57.320 57.393 -0.073 18111
1984 1 7 . 1 1 4 4 GLU CB C 29 30.056 30.056 31.074 -1.018 18111
1985 1 7 . 1 1 4 4 GLU H H 29 8.342 8.342 7.957 0.385 18111
1986 1 7 . 1 1 5 5 ILE N N 30 107.034 107.034 126.425 -19.391 18111
1987 1 7 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.174 0.213 18111
1988 1 7 . 1 1 5 5 ILE C C 30 172.899 172.899 175.452 -2.553 18111
1989 1 7 . 1 1 5 5 ILE CA C 30 58.682 58.682 61.651 -2.969 18111
1990 1 7 . 1 1 5 5 ILE CB C 30 42.956 42.956 38.869 4.087 18111
1991 1 7 . 1 1 5 5 ILE H H 30 6.701 6.701 8.404 -1.703 18111
1992 1 7 . 1 1 6 6 SER N N 31 112.862 112.862 118.099 -5.237 18111
1993 1 7 . 1 1 6 6 SER HA H 31 4.766 4.766 4.646 0.120 18111
1994 1 7 . 1 1 6 6 SER C C 31 174.795 174.795 172.405 2.390 18111
1995 1 7 . 1 1 6 6 SER CA C 31 56.389 56.389 56.849 -0.460 18111
1996 1 7 . 1 1 6 6 SER CB C 31 64.006 64.006 66.690 -2.684 18111
1997 1 7 . 1 1 6 6 SER H H 31 7.887 7.887 7.742 0.145 18111
1998 1 7 . 1 1 7 7 GLY N N 32 110.064 110.064 111.347 -1.283 18111
1999 1 7 . 1 1 7 7 GLY HA H 32 4.598 4.598 5.029 -0.431 18111
2000 1 7 . 1 1 7 7 GLY C C 32 170.516 170.516 174.724 -4.208 18111
2001 1 7 . 1 1 7 7 GLY CA C 32 45.741 45.741 44.705 1.036 18111
2002 1 7 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.879 0.109 18111
2003 1 7 . 1 1 7 7 GLY H H 32 8.575 8.575 8.383 0.192 18111
2004 1 7 . 1 1 8 8 ILE N N 33 120.398 120.398 118.013 2.385 18111
2005 1 7 . 1 1 8 8 ILE HA H 33 4.624 4.624 3.875 0.749 18111
2006 1 7 . 1 1 8 8 ILE C C 33 177.404 177.404 176.494 0.910 18111
2007 1 7 . 1 1 8 8 ILE CA C 33 59.338 59.338 62.883 -3.545 18111
2008 1 7 . 1 1 8 8 ILE CB C 33 38.573 38.573 37.923 0.650 18111
2009 1 7 . 1 1 8 8 ILE H H 33 8.446 8.446 8.012 0.434 18111
2010 1 7 . 1 1 9 9 VAL N N 34 131.785 131.785 119.105 12.680 18111
2011 1 7 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.103 0.597 18111
2012 1 7 . 1 1 9 9 VAL C C 34 175.243 175.243 175.087 0.156 18111
2013 1 7 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.629 2.000 18111
2014 1 7 . 1 1 9 9 VAL CB C 34 32.815 32.815 32.460 0.355 18111
2015 1 7 . 1 1 9 9 VAL H H 34 8.993 8.993 7.641 1.352 18111
2016 1 7 . 1 1 10 10 SER N N 35 122.774 122.774 117.069 5.705 18111
2017 1 7 . 1 1 10 10 SER HA H 35 4.219 4.219 4.441 -0.222 18111
2018 1 7 . 1 1 10 10 SER C C 35 170.515 170.515 172.709 -2.194 18111
2019 1 7 . 1 1 10 10 SER CA C 35 58.027 58.027 57.043 0.984 18111
2020 1 7 . 1 1 10 10 SER CB C 35 65.234 65.234 62.869 2.365 18111
2021 1 7 . 1 1 10 10 SER H H 35 9.670 9.670 8.149 1.521 18111
2022 1 7 . 1 1 11 11 PHE N N 36 115.035 115.035 121.543 -6.508 18111
2023 1 7 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.693 1.082 18111
2024 1 7 . 1 1 11 11 PHE C C 36 177.567 177.567 174.534 3.033 18111
2025 1 7 . 1 1 11 11 PHE CA C 36 55.897 55.897 56.453 -0.556 18111
2026 1 7 . 1 1 11 11 PHE CB C 36 40.663 40.663 41.503 -0.840 18111
2027 1 7 . 1 1 11 11 PHE H H 36 8.500 8.500 7.473 1.027 18111
2028 1 7 . 1 1 12 12 GLY N N 37 110.705 110.705 109.192 1.513 18111
2029 1 7 . 1 1 12 12 GLY HA H 37 5.473 5.473 5.087 0.386 18111
2030 1 7 . 1 1 12 12 GLY C C 37 173.960 173.960 173.283 0.677 18111
2031 1 7 . 1 1 12 12 GLY CA C 37 43.611 43.611 43.938 -0.327 18111
2032 1 7 . 1 1 12 12 GLY CB C 37 32.225 32.225 33.248 -1.022 18111
2033 1 7 . 1 1 12 12 GLY H H 37 9.179 9.179 8.521 0.658 18111
2034 1 7 . 1 1 13 13 LYS N N 38 123.737 123.737 123.681 0.056 18111
2035 1 7 . 1 1 13 13 LYS HA H 38 4.219 4.219 5.019 -0.800 18111
2036 1 7 . 1 1 13 13 LYS C C 38 176.364 176.364 175.043 1.321 18111
2037 1 7 . 1 1 13 13 LYS CA C 38 57.371 57.371 55.044 2.327 18111
2038 1 7 . 1 1 13 13 LYS CB C 38 32.783 32.783 35.172 -2.389 18111
2039 1 7 . 1 1 13 13 LYS H H 38 8.716 8.716 9.382 -0.666 18111
2040 1 7 . 1 1 14 14 GLU N N 39 126.129 126.129 129.177 -3.048 18111
2041 1 7 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.951 -0.383 18111
2042 1 7 . 1 1 14 14 GLU C C 39 177.118 177.118 175.910 1.208 18111
2043 1 7 . 1 1 14 14 GLU CA C 39 56.716 56.716 57.336 -0.620 18111
2044 1 7 . 1 1 14 14 GLU CB C 39 30.571 30.571 29.964 0.607 18111
2045 1 7 . 1 1 14 14 GLU H H 39 8.582 8.582 9.034 -0.452 18111
2046 1 7 . 1 1 15 15 THR N N 40 117.595 117.595 117.103 0.492 18111
2047 1 7 . 1 1 15 15 THR HA H 40 4.543 4.543 4.854 -0.311 18111
2048 1 7 . 1 1 15 15 THR C C 40 173.063 173.063 172.020 1.043 18111
2049 1 7 . 1 1 15 15 THR CA C 40 61.057 61.057 58.873 2.183 18111
2050 1 7 . 1 1 15 15 THR CB C 40 70.968 70.968 71.616 -0.648 18111
2051 1 7 . 1 1 15 15 THR H H 40 8.202 8.202 9.088 -0.886 18111
2052 1 7 . 1 1 16 16 LYS N N 41 120.682 120.682 123.809 -3.127 18111
2053 1 7 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.869 -0.197 18111
2054 1 7 . 1 1 16 16 LYS C C 41 176.162 176.162 175.113 1.049 18111
2055 1 7 . 1 1 16 16 LYS CA C 41 54.311 54.311 54.416 -0.104 18111
2056 1 7 . 1 1 16 16 LYS CB C 41 41.241 41.241 35.377 5.864 18111
2057 1 7 . 1 1 16 16 LYS H H 41 9.220 9.220 8.531 0.689 18111
2058 1 7 . 1 1 17 17 GLY N N 42 115.021 115.021 114.331 0.690 18111
2059 1 7 . 1 1 17 17 GLY CA C 42 46.396 46.396 43.537 2.859 18111
2060 1 7 . 1 1 17 17 GLY H H 42 7.904 7.904 8.766 -0.862 18111
2061 1 7 . 1 1 18 18 LYS N N 43 121.239 121.239 120.043 1.196 18111
2062 1 7 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.072 0.647 18111
2063 1 7 . 1 1 18 18 LYS C C 43 175.095 175.095 174.982 0.113 18111
2064 1 7 . 1 1 18 18 LYS CA C 43 54.505 54.505 59.278 -4.773 18111
2065 1 7 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.462 2.286 18111
2066 1 7 . 1 1 18 18 LYS H H 43 8.323 8.323 8.409 -0.086 18111
2067 1 7 . 1 1 19 19 ARG N N 44 118.685 118.685 118.260 0.425 18111
2068 1 7 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.357 0.117 18111
2069 1 7 . 1 1 19 19 ARG C C 44 174.184 174.184 175.659 -1.475 18111
2070 1 7 . 1 1 19 19 ARG CA C 44 54.423 54.423 56.456 -2.033 18111
2071 1 7 . 1 1 19 19 ARG CB C 44 32.619 32.619 31.290 1.329 18111
2072 1 7 . 1 1 19 19 ARG H H 44 8.936 8.936 8.092 0.844 18111
2073 1 7 . 1 1 20 20 ARG N N 45 126.346 126.346 119.192 7.154 18111
2074 1 7 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.453 0.605 18111
2075 1 7 . 1 1 20 20 ARG C C 45 174.999 174.999 175.100 -0.101 18111
2076 1 7 . 1 1 20 20 ARG CA C 45 54.095 54.095 56.870 -2.775 18111
2077 1 7 . 1 1 20 20 ARG CB C 45 32.298 32.298 31.630 0.669 18111
2078 1 7 . 1 1 20 20 ARG H H 45 8.881 8.881 8.361 0.520 18111
2079 1 7 . 1 1 21 21 LEU N N 46 130.427 130.427 121.615 8.812 18111
2080 1 7 . 1 1 21 21 LEU HA H 46 4.417 4.417 5.313 -0.896 18111
2081 1 7 . 1 1 21 21 LEU C C 46 173.593 173.593 175.650 -2.057 18111
2082 1 7 . 1 1 21 21 LEU CA C 46 55.324 55.324 53.939 1.385 18111
2083 1 7 . 1 1 21 21 LEU CB C 46 43.775 43.775 45.590 -1.815 18111
2084 1 7 . 1 1 21 21 LEU H H 46 8.858 8.858 8.609 0.249 18111
2085 1 7 . 1 1 22 22 VAL N N 47 127.940 127.940 118.020 9.920 18111
2086 1 7 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.550 0.423 18111
2087 1 7 . 1 1 22 22 VAL C C 47 175.529 175.529 173.356 2.173 18111
2088 1 7 . 1 1 22 22 VAL CA C 47 60.811 60.811 61.328 -0.517 18111
2089 1 7 . 1 1 22 22 VAL CB C 47 32.946 32.946 33.517 -0.571 18111
2090 1 7 . 1 1 22 22 VAL H H 47 8.665 8.665 8.609 0.056 18111
2091 1 7 . 1 1 23 23 ILE N N 48 124.228 124.228 122.072 2.156 18111
2092 1 7 . 1 1 23 23 ILE HA H 48 4.606 4.606 4.632 -0.026 18111
2093 1 7 . 1 1 23 23 ILE C C 48 175.732 175.732 174.896 0.836 18111
2094 1 7 . 1 1 23 23 ILE CA C 48 60.730 60.730 60.570 0.160 18111
2095 1 7 . 1 1 23 23 ILE CB C 48 39.745 39.745 39.513 0.232 18111
2096 1 7 . 1 1 23 23 ILE H H 48 9.374 9.374 8.638 0.736 18111
2097 1 7 . 1 1 24 24 THR N N 49 124.978 124.978 120.117 4.861 18111
2098 1 7 . 1 1 24 24 THR HA H 49 4.557 4.557 5.182 -0.625 18111
2099 1 7 . 1 1 24 24 THR C C 49 173.572 173.572 171.766 1.806 18111
2100 1 7 . 1 1 24 24 THR CA C 49 60.893 60.893 57.919 2.974 18111
2101 1 7 . 1 1 24 24 THR CB C 49 69.821 69.821 72.439 -2.618 18111
2102 1 7 . 1 1 24 24 THR H H 49 9.018 9.018 9.103 -0.085 18111
2103 1 7 . 1 1 25 25 PRO HA H 50 4.804 4.804 4.236 0.568 18111
2104 1 7 . 1 1 25 25 PRO C C 50 177.913 177.913 175.509 2.404 18111
2105 1 7 . 1 1 25 25 PRO CA C 50 62.777 62.777 62.569 0.208 18111
2106 1 7 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.294 2.390 18111
2107 1 7 . 1 1 26 26 VAL N N 51 116.090 116.090 120.945 -4.855 18111
2108 1 7 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.104 0.096 18111
2109 1 7 . 1 1 26 26 VAL C C 51 176.323 176.323 174.885 1.438 18111
2110 1 7 . 1 1 26 26 VAL CA C 51 62.777 62.777 59.956 2.821 18111
2111 1 7 . 1 1 26 26 VAL CB C 51 31.390 31.390 32.706 -1.316 18111
2112 1 7 . 1 1 26 26 VAL H H 51 8.584 8.584 8.547 0.037 18111
2113 1 7 . 1 1 27 27 ASP N N 52 118.508 118.508 127.029 -8.521 18111
2114 1 7 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.797 -0.201 18111
2115 1 7 . 1 1 27 27 ASP C C 52 177.240 177.240 175.031 2.209 18111
2116 1 7 . 1 1 27 27 ASP CA C 52 53.358 53.358 53.127 0.231 18111
2117 1 7 . 1 1 27 27 ASP CB C 52 40.826 40.826 40.438 0.388 18111
2118 1 7 . 1 1 27 27 ASP H H 52 7.756 7.756 8.705 -0.949 18111
2119 1 7 . 1 1 28 28 GLY N N 53 107.578 107.578 112.440 -4.862 18111
2120 1 7 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.845 -0.246 18111
2121 1 7 . 1 1 28 28 GLY C C 53 174.652 174.652 173.469 1.183 18111
2122 1 7 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.014 1.563 18111
2123 1 7 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.446 1.032 18111
2124 1 7 . 1 1 28 28 GLY H H 53 7.819 7.819 8.380 -0.561 18111
2125 1 7 . 1 1 29 29 SER N N 54 115.662 115.662 112.996 2.666 18111
2126 1 7 . 1 1 29 29 SER HA H 54 4.426 4.426 4.478 -0.052 18111
2127 1 7 . 1 1 29 29 SER C C 54 172.696 172.696 174.508 -1.812 18111
2128 1 7 . 1 1 29 29 SER CA C 54 59.010 59.010 59.859 -0.849 18111
2129 1 7 . 1 1 29 29 SER CB C 54 63.596 63.596 63.978 -0.382 18111
2130 1 7 . 1 1 29 29 SER H H 54 7.827 7.827 8.616 -0.789 18111
2131 1 7 . 1 1 30 30 ASP N N 55 119.004 119.004 119.990 -0.986 18111
2132 1 7 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.626 0.180 18111
2133 1 7 . 1 1 30 30 ASP C C 55 174.102 174.102 176.834 -2.732 18111
2134 1 7 . 1 1 30 30 ASP CA C 55 53.849 53.849 52.759 1.090 18111
2135 1 7 . 1 1 30 30 ASP CB C 55 40.335 40.335 43.062 -2.727 18111
2136 1 7 . 1 1 30 30 ASP H H 55 8.114 8.114 7.967 0.147 18111
2137 1 7 . 1 1 31 31 PRO N N 56 123.263 123.263 124.334 -1.071 18111
2138 1 7 . 1 1 31 31 PRO HA H 56 4.634 4.634 3.804 0.830 18111
2139 1 7 . 1 1 31 31 PRO C C 56 175.692 175.692 179.202 -3.510 18111
2140 1 7 . 1 1 31 31 PRO CA C 56 62.941 62.941 66.985 -4.044 18111
2141 1 7 . 1 1 31 31 PRO CB C 56 32.455 32.455 30.793 1.662 18111
2142 1 7 . 1 1 31 31 PRO H H 56 8.869 8.869 8.607 0.262 18111
2143 1 7 . 1 1 32 32 TYR N N 57 124.973 124.973 118.241 6.732 18111
2144 1 7 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.202 0.385 18111
2145 1 7 . 1 1 32 32 TYR C C 57 173.450 173.450 177.684 -4.234 18111
2146 1 7 . 1 1 32 32 TYR CA C 57 57.863 57.863 61.364 -3.501 18111
2147 1 7 . 1 1 32 32 TYR CB C 57 41.727 41.727 38.120 3.607 18111
2148 1 7 . 1 1 32 32 TYR H H 57 8.639 8.639 8.262 0.377 18111
2149 1 7 . 1 1 33 33 GLU N N 58 124.075 124.075 119.368 4.707 18111
2150 1 7 . 1 1 33 33 GLU HA H 58 5.699 5.699 4.032 1.667 18111
2151 1 7 . 1 1 33 33 GLU C C 58 173.980 173.980 178.224 -4.244 18111
2152 1 7 . 1 1 33 33 GLU CA C 58 53.686 53.686 59.234 -5.548 18111
2153 1 7 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.151 5.106 18111
2154 1 7 . 1 1 33 33 GLU H H 58 6.719 6.719 8.405 -1.686 18111
2155 1 7 . 1 1 34 34 GLU N N 59 115.961 115.961 118.783 -2.822 18111
2156 1 7 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.994 0.923 18111
2157 1 7 . 1 1 34 34 GLU C C 59 174.143 174.143 178.193 -4.050 18111
2158 1 7 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.163 -3.675 18111
2159 1 7 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.553 6.114 18111
2160 1 7 . 1 1 34 34 GLU H H 59 8.854 8.854 7.787 1.067 18111
2161 1 7 . 1 1 35 35 MET N N 60 117.652 117.652 118.524 -0.872 18111
2162 1 7 . 1 1 35 35 MET HA H 60 4.973 4.973 4.018 0.955 18111
2163 1 7 . 1 1 35 35 MET C C 60 175.305 175.305 177.931 -2.626 18111
2164 1 7 . 1 1 35 35 MET CA C 60 53.849 53.849 58.436 -4.587 18111
2165 1 7 . 1 1 35 35 MET CB C 60 34.830 34.830 32.132 2.698 18111
2166 1 7 . 1 1 35 35 MET H H 60 8.938 8.938 8.031 0.907 18111
2167 1 7 . 1 1 36 36 ILE N N 61 118.458 118.458 119.175 -0.717 18111
2168 1 7 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.876 0.617 18111
2169 1 7 . 1 1 36 36 ILE C C 61 179.326 179.326 178.957 0.369 18111
2170 1 7 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.092 -9.592 18111
2171 1 7 . 1 1 36 36 ILE CB C 61 32.420 32.420 37.468 -5.048 18111
2172 1 7 . 1 1 36 36 ILE H H 61 8.942 8.942 7.701 1.241 18111
2173 1 7 . 1 1 37 37 PRO N N 62 119.807 119.807 121.363 -1.556 18111
2174 1 7 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.212 0.114 18111
2175 1 7 . 1 1 37 37 PRO C C 62 178.789 178.789 179.851 -1.062 18111
2176 1 7 . 1 1 37 37 PRO CA C 62 63.351 63.351 65.712 -2.361 18111
2177 1 7 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.642 0.575 18111
2178 1 7 . 1 1 37 37 PRO H H 62 8.627 8.627 7.627 1.000 18111
2179 1 7 . 1 1 38 38 LYS N N 63 122.363 122.363 118.844 3.519 18111
2180 1 7 . 1 1 38 38 LYS HA H 63 3.794 3.794 4.021 -0.227 18111
2181 1 7 . 1 1 38 38 LYS C C 63 175.284 175.284 178.282 -2.998 18111
2182 1 7 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.534 -0.606 18111
2183 1 7 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.474 0.409 18111
2184 1 7 . 1 1 38 38 LYS H H 63 8.629 8.629 8.599 0.030 18111
2185 1 7 . 1 1 39 39 TRP N N 64 110.966 110.966 119.666 -8.700 18111
2186 1 7 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.562 -0.004 18111
2187 1 7 . 1 1 39 39 TRP C C 64 177.281 177.281 178.365 -1.084 18111
2188 1 7 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.504 -3.525 18111
2189 1 7 . 1 1 39 39 TRP CB C 64 28.524 28.524 29.990 -1.466 18111
2190 1 7 . 1 1 39 39 TRP H H 64 6.689 6.689 7.446 -0.757 18111
2191 1 7 . 1 1 40 40 ARG N N 65 120.429 120.429 119.724 0.705 18111
2192 1 7 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.146 0.026 18111
2193 1 7 . 1 1 40 40 ARG C C 65 176.059 176.059 178.469 -2.410 18111
2194 1 7 . 1 1 40 40 ARG CA C 65 55.324 55.324 59.639 -4.314 18111
2195 1 7 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.738 -2.218 18111
2196 1 7 . 1 1 40 40 ARG H H 65 6.450 6.450 8.540 -2.090 18111
2197 1 7 . 1 1 41 41 GLN N N 66 125.132 125.132 117.612 7.520 18111
2198 1 7 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.221 0.064 18111
2199 1 7 . 1 1 41 41 GLN C C 66 176.283 176.283 176.736 -0.453 18111
2200 1 7 . 1 1 41 41 GLN CA C 66 55.651 55.651 58.414 -2.763 18111
2201 1 7 . 1 1 41 41 GLN CB C 66 28.933 28.933 29.534 -0.601 18111
2202 1 7 . 1 1 41 41 GLN H H 66 9.430 9.430 8.518 0.912 18111
2203 1 7 . 1 1 42 42 LEU N N 67 127.081 127.081 117.728 9.353 18111
2204 1 7 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.244 0.729 18111
2205 1 7 . 1 1 42 42 LEU C C 67 177.179 177.179 179.119 -1.940 18111
2206 1 7 . 1 1 42 42 LEU CA C 67 53.686 53.686 57.637 -3.951 18111
2207 1 7 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.367 0.572 18111
2208 1 7 . 1 1 42 42 LEU H H 67 8.971 8.971 7.779 1.192 18111
2209 1 7 . 1 1 43 43 ASN N N 68 118.458 118.458 117.832 0.626 18111
2210 1 7 . 1 1 43 43 ASN HA H 68 4.775 4.775 4.781 -0.006 18111
2211 1 7 . 1 1 43 43 ASN C C 68 174.265 174.265 175.191 -0.926 18111
2212 1 7 . 1 1 43 43 ASN CA C 68 52.950 52.950 57.157 -4.207 18111
2213 1 7 . 1 1 43 43 ASN CB C 68 39.499 39.499 35.823 3.676 18111
2214 1 7 . 1 1 43 43 ASN H H 68 8.898 8.898 8.720 0.178 18111
2215 1 7 . 1 1 44 44 VAL HA H 69 4.813 4.813 3.934 0.879 18111
2216 1 7 . 1 1 44 44 VAL C C 69 173.389 173.389 175.832 -2.443 18111
2217 1 7 . 1 1 44 44 VAL CA C 69 58.272 58.272 64.295 -6.023 18111
2218 1 7 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.685 4.227 18111
2219 1 7 . 1 1 45 45 PHE N N 70 118.947 118.947 116.505 2.442 18111
2220 1 7 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.758 0.140 18111
2221 1 7 . 1 1 45 45 PHE C C 70 174.591 174.591 176.301 -1.710 18111
2222 1 7 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.525 -1.956 18111
2223 1 7 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.367 2.360 18111
2224 1 7 . 1 1 45 45 PHE H H 70 8.261 8.261 7.685 0.576 18111
2225 1 7 . 1 1 46 46 GLU N N 71 119.246 119.246 117.914 1.332 18111
2226 1 7 . 1 1 46 46 GLU HA H 71 3.775 3.775 4.012 -0.237 18111
2227 1 7 . 1 1 46 46 GLU C C 71 177.200 177.200 176.240 0.960 18111
2228 1 7 . 1 1 46 46 GLU CA C 71 58.424 58.424 56.378 2.046 18111
2229 1 7 . 1 1 46 46 GLU H H 71 8.706 8.706 7.953 0.753 18111
2230 1 7 . 1 1 47 47 GLY N N 72 114.762 114.762 110.243 4.519 18111
2231 1 7 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.537 0.387 18111
2232 1 7 . 1 1 47 47 GLY C C 72 174.204 174.204 173.768 0.436 18111
2233 1 7 . 1 1 47 47 GLY CA C 72 44.922 44.922 43.989 0.933 18111
2234 1 7 . 1 1 47 47 GLY CB C 72 42.000 42.000 38.761 3.239 18111
2235 1 7 . 1 1 47 47 GLY H H 72 9.345 9.345 7.863 1.482 18111
2236 1 7 . 1 1 48 48 GLU N N 73 121.519 121.519 125.342 -3.823 18111
2237 1 7 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.449 -0.259 18111
2238 1 7 . 1 1 48 48 GLU C C 73 174.836 174.836 176.334 -1.498 18111
2239 1 7 . 1 1 48 48 GLU CA C 73 56.880 56.880 55.133 1.747 18111
2240 1 7 . 1 1 48 48 GLU CB C 73 30.899 30.899 30.453 0.446 18111
2241 1 7 . 1 1 48 48 GLU H H 73 7.866 7.866 8.374 -0.508 18111
2242 1 7 . 1 1 49 49 ARG N N 74 122.680 122.680 123.304 -0.624 18111
2243 1 7 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.211 0.659 18111
2244 1 7 . 1 1 49 49 ARG C C 74 176.222 176.222 176.358 -0.136 18111
2245 1 7 . 1 1 49 49 ARG CA C 74 55.488 55.488 56.942 -1.454 18111
2246 1 7 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.534 0.611 18111
2247 1 7 . 1 1 49 49 ARG H H 74 8.446 8.446 8.478 -0.032 18111
2248 1 7 . 1 1 50 50 VAL N N 75 118.810 118.810 122.665 -3.855 18111
2249 1 7 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.334 0.404 18111
2250 1 7 . 1 1 50 50 VAL C C 75 174.877 174.877 176.199 -1.322 18111
2251 1 7 . 1 1 50 50 VAL CA C 75 58.846 58.846 61.948 -3.102 18111
2252 1 7 . 1 1 50 50 VAL CB C 75 35.076 35.076 33.189 1.887 18111
2253 1 7 . 1 1 50 50 VAL H H 75 9.151 9.151 8.966 0.185 18111
2254 1 7 . 1 1 51 51 GLU N N 76 123.487 123.487 120.088 3.399 18111
2255 1 7 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.774 -0.159 18111
2256 1 7 . 1 1 51 51 GLU C C 76 175.631 175.631 174.233 1.398 18111
2257 1 7 . 1 1 51 51 GLU CA C 76 53.112 53.112 55.562 -2.450 18111
2258 1 7 . 1 1 51 51 GLU CB C 76 31.390 31.390 34.369 -2.979 18111
2259 1 7 . 1 1 51 51 GLU H H 76 8.787 8.787 7.776 1.011 18111
2260 1 7 . 1 1 52 52 ARG N N 77 122.407 122.407 116.306 6.101 18111
2261 1 7 . 1 1 52 52 ARG HA H 77 3.351 3.351 4.860 -1.509 18111
2262 1 7 . 1 1 52 52 ARG C C 77 177.220 177.220 174.902 2.318 18111
2263 1 7 . 1 1 52 52 ARG CA C 77 57.693 57.693 53.731 3.962 18111
2264 1 7 . 1 1 52 52 ARG CB C 77 29.342 29.342 34.116 -4.774 18111
2265 1 7 . 1 1 52 52 ARG H H 77 8.160 8.160 8.379 -0.219 18111
2266 1 7 . 1 1 53 53 GLY N N 78 116.273 116.273 110.650 5.623 18111
2267 1 7 . 1 1 53 53 GLY C C 78 173.715 173.715 172.536 1.179 18111
2268 1 7 . 1 1 53 53 GLY CA C 78 44.840 44.840 41.772 3.068 18111
2269 1 7 . 1 1 53 53 GLY CB C 78 31.660 31.660 32.090 -0.430 18111
2270 1 7 . 1 1 53 53 GLY H H 78 9.194 9.194 8.822 0.372 18111
2271 1 7 . 1 1 54 54 ASP HA H 79 4.540 4.540 5.096 -0.556 18111
2272 1 7 . 1 1 54 54 ASP C C 79 176.099 176.099 175.353 0.746 18111
2273 1 7 . 1 1 54 54 ASP CA C 79 54.669 54.669 53.774 0.895 18111
2274 1 7 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.458 -0.631 18111
2275 1 7 . 1 1 55 55 VAL N N 80 120.501 120.501 126.167 -5.666 18111
2276 1 7 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.292 -0.492 18111
2277 1 7 . 1 1 55 55 VAL C C 80 175.957 175.957 175.448 0.509 18111
2278 1 7 . 1 1 55 55 VAL CA C 80 64.255 64.255 61.688 2.567 18111
2279 1 7 . 1 1 55 55 VAL CB C 80 31.533 31.533 32.723 -1.190 18111
2280 1 7 . 1 1 55 55 VAL H H 80 8.658 8.658 8.727 -0.069 18111
2281 1 7 . 1 1 56 56 ILE N N 81 128.523 128.523 127.250 1.273 18111
2282 1 7 . 1 1 56 56 ILE HA H 81 4.228 4.228 4.099 0.129 18111
2283 1 7 . 1 1 56 56 ILE C C 81 175.957 175.957 175.384 0.573 18111
2284 1 7 . 1 1 56 56 ILE CA C 81 61.785 61.785 62.281 -0.496 18111
2285 1 7 . 1 1 56 56 ILE CB C 81 37.300 37.300 38.495 -1.195 18111
2286 1 7 . 1 1 56 56 ILE H H 81 8.905 8.905 8.576 0.329 18111
2287 1 7 . 1 1 57 57 SER N N 82 112.225 112.225 123.960 -11.735 18111
2288 1 7 . 1 1 57 57 SER HA H 82 4.851 4.851 4.916 -0.065 18111
2289 1 7 . 1 1 57 57 SER C C 82 173.959 173.959 172.799 1.160 18111
2290 1 7 . 1 1 57 57 SER CA C 82 57.289 57.289 55.422 1.867 18111
2291 1 7 . 1 1 57 57 SER CB C 82 64.825 64.825 63.452 1.373 18111
2292 1 7 . 1 1 57 57 SER H H 82 7.671 7.671 8.370 -0.699 18111
2293 1 7 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.607 -0.086 18111
2294 1 7 . 1 1 58 58 ASP C C 83 175.427 175.427 175.552 -0.125 18111
2295 1 7 . 1 1 58 58 ASP CA C 83 55.078 55.078 54.476 0.602 18111
2296 1 7 . 1 1 58 58 ASP CB C 83 41.727 41.727 41.400 0.327 18111
2297 1 8 . 1 1 2 2 LEU N N 27 128.700 128.700 122.034 6.666 18111
2298 1 8 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.242 0.816 18111
2299 1 8 . 1 1 2 2 LEU C C 27 177.649 177.649 176.266 1.383 18111
2300 1 8 . 1 1 2 2 LEU CA C 27 52.539 52.539 54.814 -2.275 18111
2301 1 8 . 1 1 2 2 LEU H H 27 8.701 8.701 8.400 0.301 18111
2302 1 8 . 1 1 3 3 ALA N N 28 124.154 124.154 121.156 2.998 18111
2303 1 8 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.567 -0.527 18111
2304 1 8 . 1 1 3 3 ALA C C 28 179.462 179.462 176.314 3.148 18111
2305 1 8 . 1 1 3 3 ALA CA C 28 51.966 51.966 52.188 -0.222 18111
2306 1 8 . 1 1 3 3 ALA CB C 28 18.040 18.040 20.050 -2.010 18111
2307 1 8 . 1 1 3 3 ALA H H 28 9.243 9.243 7.829 1.414 18111
2308 1 8 . 1 1 4 4 GLU N N 29 126.521 126.521 122.430 4.091 18111
2309 1 8 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.515 -0.579 18111
2310 1 8 . 1 1 4 4 GLU C C 29 175.569 175.569 175.847 -0.278 18111
2311 1 8 . 1 1 4 4 GLU CA C 29 57.320 57.320 56.142 1.179 18111
2312 1 8 . 1 1 4 4 GLU CB C 29 30.056 30.056 30.325 -0.269 18111
2313 1 8 . 1 1 4 4 GLU H H 29 8.342 8.342 8.187 0.155 18111
2314 1 8 . 1 1 5 5 ILE N N 30 107.034 107.034 127.360 -20.326 18111
2315 1 8 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.266 0.121 18111
2316 1 8 . 1 1 5 5 ILE C C 30 172.899 172.899 174.706 -1.807 18111
2317 1 8 . 1 1 5 5 ILE CA C 30 58.682 58.682 62.687 -4.005 18111
2318 1 8 . 1 1 5 5 ILE CB C 30 42.956 42.956 39.108 3.848 18111
2319 1 8 . 1 1 5 5 ILE H H 30 6.701 6.701 8.710 -2.009 18111
2320 1 8 . 1 1 6 6 SER N N 31 112.862 112.862 115.155 -2.293 18111
2321 1 8 . 1 1 6 6 SER HA H 31 4.766 4.766 4.512 0.254 18111
2322 1 8 . 1 1 6 6 SER C C 31 174.795 174.795 172.482 2.313 18111
2323 1 8 . 1 1 6 6 SER CA C 31 56.389 56.389 56.576 -0.187 18111
2324 1 8 . 1 1 6 6 SER CB C 31 64.006 64.006 66.613 -2.607 18111
2325 1 8 . 1 1 6 6 SER H H 31 7.887 7.887 7.619 0.268 18111
2326 1 8 . 1 1 7 7 GLY N N 32 110.064 110.064 112.913 -2.849 18111
2327 1 8 . 1 1 7 7 GLY HA H 32 4.598 4.598 5.127 -0.529 18111
2328 1 8 . 1 1 7 7 GLY C C 32 170.516 170.516 174.730 -4.214 18111
2329 1 8 . 1 1 7 7 GLY CA C 32 45.741 45.741 44.994 0.747 18111
2330 1 8 . 1 1 7 7 GLY CB C 32 40.988 40.988 39.667 1.321 18111
2331 1 8 . 1 1 7 7 GLY H H 32 8.575 8.575 8.511 0.064 18111
2332 1 8 . 1 1 8 8 ILE N N 33 120.398 120.398 117.382 3.016 18111
2333 1 8 . 1 1 8 8 ILE HA H 33 4.624 4.624 3.986 0.638 18111
2334 1 8 . 1 1 8 8 ILE C C 33 177.404 177.404 176.232 1.172 18111
2335 1 8 . 1 1 8 8 ILE CA C 33 59.338 59.338 62.222 -2.884 18111
2336 1 8 . 1 1 8 8 ILE CB C 33 38.573 38.573 38.242 0.331 18111
2337 1 8 . 1 1 8 8 ILE H H 33 8.446 8.446 8.414 0.032 18111
2338 1 8 . 1 1 9 9 VAL N N 34 131.785 131.785 118.131 13.654 18111
2339 1 8 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.299 0.401 18111
2340 1 8 . 1 1 9 9 VAL C C 34 175.243 175.243 173.524 1.719 18111
2341 1 8 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.058 2.570 18111
2342 1 8 . 1 1 9 9 VAL CB C 34 32.815 32.815 35.120 -2.305 18111
2343 1 8 . 1 1 9 9 VAL H H 34 8.993 8.993 7.651 1.342 18111
2344 1 8 . 1 1 10 10 SER N N 35 122.774 122.774 113.821 8.953 18111
2345 1 8 . 1 1 10 10 SER HA H 35 4.219 4.219 4.285 -0.066 18111
2346 1 8 . 1 1 10 10 SER C C 35 170.515 170.515 171.679 -1.164 18111
2347 1 8 . 1 1 10 10 SER CA C 35 58.027 58.027 57.087 0.940 18111
2348 1 8 . 1 1 10 10 SER CB C 35 65.234 65.234 65.309 -0.075 18111
2349 1 8 . 1 1 10 10 SER H H 35 9.670 9.670 7.680 1.990 18111
2350 1 8 . 1 1 11 11 PHE N N 36 115.035 115.035 120.240 -5.205 18111
2351 1 8 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.882 0.893 18111
2352 1 8 . 1 1 11 11 PHE C C 36 177.567 177.567 174.192 3.375 18111
2353 1 8 . 1 1 11 11 PHE CA C 36 55.897 55.897 55.681 0.216 18111
2354 1 8 . 1 1 11 11 PHE CB C 36 40.663 40.663 42.176 -1.513 18111
2355 1 8 . 1 1 11 11 PHE H H 36 8.500 8.500 7.422 1.078 18111
2356 1 8 . 1 1 12 12 GLY N N 37 110.705 110.705 111.300 -0.595 18111
2357 1 8 . 1 1 12 12 GLY HA H 37 5.473 5.473 4.803 0.670 18111
2358 1 8 . 1 1 12 12 GLY C C 37 173.960 173.960 173.574 0.386 18111
2359 1 8 . 1 1 12 12 GLY CA C 37 43.611 43.611 43.782 -0.171 18111
2360 1 8 . 1 1 12 12 GLY CB C 37 32.225 32.225 29.667 2.558 18111
2361 1 8 . 1 1 12 12 GLY H H 37 9.179 9.179 8.858 0.321 18111
2362 1 8 . 1 1 13 13 LYS N N 38 123.737 123.737 127.037 -3.300 18111
2363 1 8 . 1 1 13 13 LYS HA H 38 4.219 4.219 5.175 -0.956 18111
2364 1 8 . 1 1 13 13 LYS C C 38 176.364 176.364 175.497 0.867 18111
2365 1 8 . 1 1 13 13 LYS CA C 38 57.371 57.371 54.701 2.670 18111
2366 1 8 . 1 1 13 13 LYS CB C 38 32.783 32.783 34.125 -1.342 18111
2367 1 8 . 1 1 13 13 LYS H H 38 8.716 8.716 9.159 -0.443 18111
2368 1 8 . 1 1 14 14 GLU N N 39 126.129 126.129 128.010 -1.881 18111
2369 1 8 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.986 -0.418 18111
2370 1 8 . 1 1 14 14 GLU C C 39 177.118 177.118 175.838 1.280 18111
2371 1 8 . 1 1 14 14 GLU CA C 39 56.716 56.716 55.721 0.995 18111
2372 1 8 . 1 1 14 14 GLU CB C 39 30.571 30.571 29.969 0.602 18111
2373 1 8 . 1 1 14 14 GLU H H 39 8.582 8.582 8.650 -0.068 18111
2374 1 8 . 1 1 15 15 THR N N 40 117.595 117.595 116.951 0.644 18111
2375 1 8 . 1 1 15 15 THR HA H 40 4.543 4.543 5.097 -0.554 18111
2376 1 8 . 1 1 15 15 THR C C 40 173.063 173.063 171.961 1.102 18111
2377 1 8 . 1 1 15 15 THR CA C 40 61.057 61.057 58.818 2.239 18111
2378 1 8 . 1 1 15 15 THR CB C 40 70.968 70.968 71.859 -0.890 18111
2379 1 8 . 1 1 15 15 THR H H 40 8.202 8.202 9.194 -0.992 18111
2380 1 8 . 1 1 16 16 LYS N N 41 120.682 120.682 124.024 -3.342 18111
2381 1 8 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.499 0.173 18111
2382 1 8 . 1 1 16 16 LYS C C 41 176.162 176.162 175.400 0.762 18111
2383 1 8 . 1 1 16 16 LYS CA C 41 54.311 54.311 54.843 -0.532 18111
2384 1 8 . 1 1 16 16 LYS CB C 41 41.241 41.241 35.102 6.139 18111
2385 1 8 . 1 1 16 16 LYS H H 41 9.220 9.220 8.693 0.527 18111
2386 1 8 . 1 1 17 17 GLY N N 42 115.021 115.021 114.547 0.474 18111
2387 1 8 . 1 1 17 17 GLY CA C 42 46.396 46.396 43.831 2.566 18111
2388 1 8 . 1 1 17 17 GLY H H 42 7.904 7.904 8.309 -0.405 18111
2389 1 8 . 1 1 18 18 LYS N N 43 121.239 121.239 119.464 1.775 18111
2390 1 8 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.295 0.424 18111
2391 1 8 . 1 1 18 18 LYS C C 43 175.095 175.095 175.198 -0.103 18111
2392 1 8 . 1 1 18 18 LYS CA C 43 54.505 54.505 58.586 -4.081 18111
2393 1 8 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.541 2.207 18111
2394 1 8 . 1 1 18 18 LYS H H 43 8.323 8.323 8.755 -0.432 18111
2395 1 8 . 1 1 19 19 ARG N N 44 118.685 118.685 121.026 -2.341 18111
2396 1 8 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.279 0.195 18111
2397 1 8 . 1 1 19 19 ARG C C 44 174.184 174.184 176.365 -2.181 18111
2398 1 8 . 1 1 19 19 ARG CA C 44 54.423 54.423 57.167 -2.744 18111
2399 1 8 . 1 1 19 19 ARG CB C 44 32.619 32.619 31.695 0.924 18111
2400 1 8 . 1 1 19 19 ARG H H 44 8.936 8.936 7.595 1.341 18111
2401 1 8 . 1 1 20 20 ARG N N 45 126.346 126.346 116.929 9.417 18111
2402 1 8 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.581 0.477 18111
2403 1 8 . 1 1 20 20 ARG C C 45 174.999 174.999 174.008 0.991 18111
2404 1 8 . 1 1 20 20 ARG CA C 45 54.095 54.095 55.731 -1.636 18111
2405 1 8 . 1 1 20 20 ARG CB C 45 32.298 32.298 33.575 -1.277 18111
2406 1 8 . 1 1 20 20 ARG H H 45 8.881 8.881 8.158 0.723 18111
2407 1 8 . 1 1 21 21 LEU N N 46 130.427 130.427 123.806 6.621 18111
2408 1 8 . 1 1 21 21 LEU HA H 46 4.417 4.417 5.142 -0.725 18111
2409 1 8 . 1 1 21 21 LEU C C 46 173.593 173.593 175.705 -2.112 18111
2410 1 8 . 1 1 21 21 LEU CA C 46 55.324 55.324 54.370 0.954 18111
2411 1 8 . 1 1 21 21 LEU CB C 46 43.775 43.775 42.728 1.047 18111
2412 1 8 . 1 1 21 21 LEU H H 46 8.858 8.858 7.938 0.920 18111
2413 1 8 . 1 1 22 22 VAL N N 47 127.940 127.940 121.914 6.026 18111
2414 1 8 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.581 0.392 18111
2415 1 8 . 1 1 22 22 VAL C C 47 175.529 175.529 173.562 1.967 18111
2416 1 8 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.502 0.309 18111
2417 1 8 . 1 1 22 22 VAL CB C 47 32.946 32.946 34.110 -1.164 18111
2418 1 8 . 1 1 22 22 VAL H H 47 8.665 8.665 8.517 0.148 18111
2419 1 8 . 1 1 23 23 ILE N N 48 124.228 124.228 122.340 1.888 18111
2420 1 8 . 1 1 23 23 ILE HA H 48 4.606 4.606 4.753 -0.147 18111
2421 1 8 . 1 1 23 23 ILE C C 48 175.732 175.732 175.064 0.668 18111
2422 1 8 . 1 1 23 23 ILE CA C 48 60.730 60.730 60.775 -0.045 18111
2423 1 8 . 1 1 23 23 ILE CB C 48 39.745 39.745 39.454 0.291 18111
2424 1 8 . 1 1 23 23 ILE H H 48 9.374 9.374 8.704 0.670 18111
2425 1 8 . 1 1 24 24 THR N N 49 124.978 124.978 120.239 4.739 18111
2426 1 8 . 1 1 24 24 THR HA H 49 4.557 4.557 5.141 -0.584 18111
2427 1 8 . 1 1 24 24 THR C C 49 173.572 173.572 171.969 1.603 18111
2428 1 8 . 1 1 24 24 THR CA C 49 60.893 60.893 58.096 2.797 18111
2429 1 8 . 1 1 24 24 THR CB C 49 69.821 69.821 73.050 -3.229 18111
2430 1 8 . 1 1 24 24 THR H H 49 9.018 9.018 9.200 -0.182 18111
2431 1 8 . 1 1 25 25 PRO HA H 50 4.804 4.804 5.167 -0.363 18111
2432 1 8 . 1 1 25 25 PRO C C 50 177.913 177.913 175.724 2.189 18111
2433 1 8 . 1 1 25 25 PRO CA C 50 62.777 62.777 61.783 0.994 18111
2434 1 8 . 1 1 25 25 PRO CB C 50 33.684 33.684 32.237 1.447 18111
2435 1 8 . 1 1 26 26 VAL N N 51 116.090 116.090 118.432 -2.342 18111
2436 1 8 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.232 -0.032 18111
2437 1 8 . 1 1 26 26 VAL C C 51 176.323 176.323 175.019 1.304 18111
2438 1 8 . 1 1 26 26 VAL CA C 51 62.777 62.777 59.940 2.837 18111
2439 1 8 . 1 1 26 26 VAL CB C 51 31.390 31.390 33.381 -1.991 18111
2440 1 8 . 1 1 26 26 VAL H H 51 8.584 8.584 8.430 0.154 18111
2441 1 8 . 1 1 27 27 ASP N N 52 118.508 118.508 124.039 -5.531 18111
2442 1 8 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.985 -0.389 18111
2443 1 8 . 1 1 27 27 ASP C C 52 177.240 177.240 174.495 2.745 18111
2444 1 8 . 1 1 27 27 ASP CA C 52 53.358 53.358 53.146 0.212 18111
2445 1 8 . 1 1 27 27 ASP CB C 52 40.826 40.826 43.046 -2.220 18111
2446 1 8 . 1 1 27 27 ASP H H 52 7.756 7.756 8.636 -0.880 18111
2447 1 8 . 1 1 28 28 GLY N N 53 107.578 107.578 111.762 -4.184 18111
2448 1 8 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.609 -0.010 18111
2449 1 8 . 1 1 28 28 GLY C C 53 174.652 174.652 173.183 1.469 18111
2450 1 8 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.169 1.408 18111
2451 1 8 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.259 1.220 18111
2452 1 8 . 1 1 28 28 GLY H H 53 7.819 7.819 8.584 -0.765 18111
2453 1 8 . 1 1 29 29 SER N N 54 115.662 115.662 114.011 1.651 18111
2454 1 8 . 1 1 29 29 SER HA H 54 4.426 4.426 4.397 0.029 18111
2455 1 8 . 1 1 29 29 SER C C 54 172.696 172.696 175.199 -2.503 18111
2456 1 8 . 1 1 29 29 SER CA C 54 59.010 59.010 60.345 -1.335 18111
2457 1 8 . 1 1 29 29 SER CB C 54 63.596 63.596 64.199 -0.603 18111
2458 1 8 . 1 1 29 29 SER H H 54 7.827 7.827 8.735 -0.908 18111
2459 1 8 . 1 1 30 30 ASP N N 55 119.004 119.004 118.358 0.646 18111
2460 1 8 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.681 0.125 18111
2461 1 8 . 1 1 30 30 ASP C C 55 174.102 174.102 176.072 -1.970 18111
2462 1 8 . 1 1 30 30 ASP CA C 55 53.849 53.849 52.072 1.777 18111
2463 1 8 . 1 1 30 30 ASP CB C 55 40.335 40.335 43.855 -3.520 18111
2464 1 8 . 1 1 30 30 ASP H H 55 8.114 8.114 7.572 0.542 18111
2465 1 8 . 1 1 31 31 PRO N N 56 123.263 123.263 124.380 -1.117 18111
2466 1 8 . 1 1 31 31 PRO HA H 56 4.634 4.634 3.987 0.647 18111
2467 1 8 . 1 1 31 31 PRO C C 56 175.692 175.692 178.528 -2.836 18111
2468 1 8 . 1 1 31 31 PRO CA C 56 62.941 62.941 67.762 -4.821 18111
2469 1 8 . 1 1 31 31 PRO CB C 56 32.455 32.455 29.990 2.465 18111
2470 1 8 . 1 1 31 31 PRO H H 56 8.869 8.869 8.690 0.179 18111
2471 1 8 . 1 1 32 32 TYR N N 57 124.973 124.973 116.170 8.803 18111
2472 1 8 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.122 0.465 18111
2473 1 8 . 1 1 32 32 TYR C C 57 173.450 173.450 178.216 -4.766 18111
2474 1 8 . 1 1 32 32 TYR CA C 57 57.863 57.863 61.594 -3.731 18111
2475 1 8 . 1 1 32 32 TYR CB C 57 41.727 41.727 37.366 4.361 18111
2476 1 8 . 1 1 32 32 TYR H H 57 8.639 8.639 8.591 0.048 18111
2477 1 8 . 1 1 33 33 GLU N N 58 124.075 124.075 121.740 2.335 18111
2478 1 8 . 1 1 33 33 GLU HA H 58 5.699 5.699 4.192 1.507 18111
2479 1 8 . 1 1 33 33 GLU C C 58 173.980 173.980 178.418 -4.438 18111
2480 1 8 . 1 1 33 33 GLU CA C 58 53.686 53.686 58.653 -4.967 18111
2481 1 8 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.641 4.616 18111
2482 1 8 . 1 1 33 33 GLU H H 58 6.719 6.719 7.544 -0.825 18111
2483 1 8 . 1 1 34 34 GLU N N 59 115.961 115.961 120.329 -4.368 18111
2484 1 8 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.745 1.172 18111
2485 1 8 . 1 1 34 34 GLU C C 59 174.143 174.143 178.015 -3.872 18111
2486 1 8 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.421 -3.933 18111
2487 1 8 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.262 6.405 18111
2488 1 8 . 1 1 34 34 GLU H H 59 8.854 8.854 8.455 0.399 18111
2489 1 8 . 1 1 35 35 MET N N 60 117.652 117.652 117.531 0.121 18111
2490 1 8 . 1 1 35 35 MET HA H 60 4.973 4.973 3.941 1.032 18111
2491 1 8 . 1 1 35 35 MET C C 60 175.305 175.305 178.074 -2.769 18111
2492 1 8 . 1 1 35 35 MET CA C 60 53.849 53.849 58.323 -4.474 18111
2493 1 8 . 1 1 35 35 MET CB C 60 34.830 34.830 32.069 2.761 18111
2494 1 8 . 1 1 35 35 MET H H 60 8.938 8.938 8.382 0.556 18111
2495 1 8 . 1 1 36 36 ILE N N 61 118.458 118.458 119.615 -1.157 18111
2496 1 8 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.722 0.771 18111
2497 1 8 . 1 1 36 36 ILE C C 61 179.326 179.326 179.174 0.152 18111
2498 1 8 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.709 -10.209 18111
2499 1 8 . 1 1 36 36 ILE CB C 61 32.420 32.420 37.906 -5.486 18111
2500 1 8 . 1 1 36 36 ILE H H 61 8.942 8.942 7.364 1.578 18111
2501 1 8 . 1 1 37 37 PRO N N 62 119.807 119.807 119.519 0.288 18111
2502 1 8 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.225 0.101 18111
2503 1 8 . 1 1 37 37 PRO C C 62 178.789 178.789 179.931 -1.142 18111
2504 1 8 . 1 1 37 37 PRO CA C 62 63.351 63.351 65.642 -2.292 18111
2505 1 8 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.457 0.760 18111
2506 1 8 . 1 1 37 37 PRO H H 62 8.627 8.627 8.436 0.191 18111
2507 1 8 . 1 1 38 38 LYS N N 63 122.363 122.363 119.760 2.603 18111
2508 1 8 . 1 1 38 38 LYS HA H 63 3.794 3.794 3.479 0.315 18111
2509 1 8 . 1 1 38 38 LYS C C 63 175.284 175.284 177.718 -2.434 18111
2510 1 8 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.007 -0.079 18111
2511 1 8 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.323 0.559 18111
2512 1 8 . 1 1 38 38 LYS H H 63 8.629 8.629 8.302 0.327 18111
2513 1 8 . 1 1 39 39 TRP N N 64 110.966 110.966 119.561 -8.595 18111
2514 1 8 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.462 0.096 18111
2515 1 8 . 1 1 39 39 TRP C C 64 177.281 177.281 178.337 -1.056 18111
2516 1 8 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.668 -3.689 18111
2517 1 8 . 1 1 39 39 TRP CB C 64 28.524 28.524 29.992 -1.468 18111
2518 1 8 . 1 1 39 39 TRP H H 64 6.689 6.689 7.205 -0.516 18111
2519 1 8 . 1 1 40 40 ARG N N 65 120.429 120.429 119.532 0.897 18111
2520 1 8 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.128 0.044 18111
2521 1 8 . 1 1 40 40 ARG C C 65 176.059 176.059 178.258 -2.199 18111
2522 1 8 . 1 1 40 40 ARG CA C 65 55.324 55.324 59.925 -4.601 18111
2523 1 8 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.630 -2.110 18111
2524 1 8 . 1 1 40 40 ARG H H 65 6.450 6.450 8.791 -2.341 18111
2525 1 8 . 1 1 41 41 GLN N N 66 125.132 125.132 117.363 7.769 18111
2526 1 8 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.285 0.000 18111
2527 1 8 . 1 1 41 41 GLN C C 66 176.283 176.283 177.093 -0.810 18111
2528 1 8 . 1 1 41 41 GLN CA C 66 55.651 55.651 57.722 -2.071 18111
2529 1 8 . 1 1 41 41 GLN CB C 66 28.933 28.933 28.759 0.174 18111
2530 1 8 . 1 1 41 41 GLN H H 66 9.430 9.430 7.890 1.540 18111
2531 1 8 . 1 1 42 42 LEU N N 67 127.081 127.081 117.855 9.226 18111
2532 1 8 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.035 0.938 18111
2533 1 8 . 1 1 42 42 LEU C C 67 177.179 177.179 178.703 -1.524 18111
2534 1 8 . 1 1 42 42 LEU CA C 67 53.686 53.686 56.210 -2.524 18111
2535 1 8 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.252 0.687 18111
2536 1 8 . 1 1 42 42 LEU H H 67 8.971 8.971 7.604 1.367 18111
2537 1 8 . 1 1 43 43 ASN N N 68 118.458 118.458 116.915 1.543 18111
2538 1 8 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.099 -0.324 18111
2539 1 8 . 1 1 43 43 ASN C C 68 174.265 174.265 174.909 -0.644 18111
2540 1 8 . 1 1 43 43 ASN CA C 68 52.950 52.950 57.576 -4.626 18111
2541 1 8 . 1 1 43 43 ASN CB C 68 39.499 39.499 36.460 3.039 18111
2542 1 8 . 1 1 43 43 ASN H H 68 8.898 8.898 8.686 0.212 18111
2543 1 8 . 1 1 44 44 VAL HA H 69 4.813 4.813 4.001 0.812 18111
2544 1 8 . 1 1 44 44 VAL C C 69 173.389 173.389 175.599 -2.210 18111
2545 1 8 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.921 -5.649 18111
2546 1 8 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.824 4.088 18111
2547 1 8 . 1 1 45 45 PHE N N 70 118.947 118.947 116.261 2.686 18111
2548 1 8 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.650 0.248 18111
2549 1 8 . 1 1 45 45 PHE C C 70 174.591 174.591 176.163 -1.572 18111
2550 1 8 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.886 -2.317 18111
2551 1 8 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.318 2.409 18111
2552 1 8 . 1 1 45 45 PHE H H 70 8.261 8.261 7.794 0.467 18111
2553 1 8 . 1 1 46 46 GLU N N 71 119.246 119.246 117.258 1.988 18111
2554 1 8 . 1 1 46 46 GLU HA H 71 3.775 3.775 4.008 -0.233 18111
2555 1 8 . 1 1 46 46 GLU C C 71 177.200 177.200 175.310 1.890 18111
2556 1 8 . 1 1 46 46 GLU CA C 71 58.424 58.424 56.117 2.307 18111
2557 1 8 . 1 1 46 46 GLU H H 71 8.706 8.706 7.828 0.878 18111
2558 1 8 . 1 1 47 47 GLY N N 72 114.762 114.762 107.974 6.788 18111
2559 1 8 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.840 0.084 18111
2560 1 8 . 1 1 47 47 GLY C C 72 174.204 174.204 173.661 0.543 18111
2561 1 8 . 1 1 47 47 GLY CA C 72 44.922 44.922 43.887 1.035 18111
2562 1 8 . 1 1 47 47 GLY CB C 72 42.000 42.000 40.382 1.618 18111
2563 1 8 . 1 1 47 47 GLY H H 72 9.345 9.345 7.654 1.691 18111
2564 1 8 . 1 1 48 48 GLU N N 73 121.519 121.519 121.067 0.452 18111
2565 1 8 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.701 -0.511 18111
2566 1 8 . 1 1 48 48 GLU C C 73 174.836 174.836 174.819 0.017 18111
2567 1 8 . 1 1 48 48 GLU CA C 73 56.880 56.880 55.459 1.421 18111
2568 1 8 . 1 1 48 48 GLU CB C 73 30.899 30.899 32.504 -1.605 18111
2569 1 8 . 1 1 48 48 GLU H H 73 7.866 7.866 8.832 -0.966 18111
2570 1 8 . 1 1 49 49 ARG N N 74 122.680 122.680 121.845 0.835 18111
2571 1 8 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.200 0.670 18111
2572 1 8 . 1 1 49 49 ARG C C 74 176.222 176.222 175.403 0.819 18111
2573 1 8 . 1 1 49 49 ARG CA C 74 55.488 55.488 56.781 -1.293 18111
2574 1 8 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.216 0.929 18111
2575 1 8 . 1 1 49 49 ARG H H 74 8.446 8.446 8.669 -0.223 18111
2576 1 8 . 1 1 50 50 VAL N N 75 118.810 118.810 124.729 -5.919 18111
2577 1 8 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.271 0.467 18111
2578 1 8 . 1 1 50 50 VAL C C 75 174.877 174.877 176.155 -1.278 18111
2579 1 8 . 1 1 50 50 VAL CA C 75 58.846 58.846 63.110 -4.264 18111
2580 1 8 . 1 1 50 50 VAL CB C 75 35.076 35.076 32.928 2.148 18111
2581 1 8 . 1 1 50 50 VAL H H 75 9.151 9.151 8.809 0.342 18111
2582 1 8 . 1 1 51 51 GLU N N 76 123.487 123.487 119.532 3.955 18111
2583 1 8 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.731 -0.116 18111
2584 1 8 . 1 1 51 51 GLU C C 76 175.631 175.631 174.058 1.573 18111
2585 1 8 . 1 1 51 51 GLU CA C 76 53.112 53.112 55.852 -2.740 18111
2586 1 8 . 1 1 51 51 GLU CB C 76 31.390 31.390 34.076 -2.686 18111
2587 1 8 . 1 1 51 51 GLU H H 76 8.787 8.787 7.739 1.048 18111
2588 1 8 . 1 1 52 52 ARG N N 77 122.407 122.407 117.066 5.341 18111
2589 1 8 . 1 1 52 52 ARG HA H 77 3.351 3.351 5.490 -2.139 18111
2590 1 8 . 1 1 52 52 ARG C C 77 177.220 177.220 175.496 1.724 18111
2591 1 8 . 1 1 52 52 ARG CA C 77 57.693 57.693 53.272 4.421 18111
2592 1 8 . 1 1 52 52 ARG CB C 77 29.342 29.342 33.591 -4.249 18111
2593 1 8 . 1 1 52 52 ARG H H 77 8.160 8.160 8.374 -0.214 18111
2594 1 8 . 1 1 53 53 GLY N N 78 116.273 116.273 113.350 2.923 18111
2595 1 8 . 1 1 53 53 GLY C C 78 173.715 173.715 172.875 0.840 18111
2596 1 8 . 1 1 53 53 GLY CA C 78 44.840 44.840 42.277 2.563 18111
2597 1 8 . 1 1 53 53 GLY CB C 78 31.660 31.660 31.296 0.364 18111
2598 1 8 . 1 1 53 53 GLY H H 78 9.194 9.194 9.036 0.158 18111
2599 1 8 . 1 1 54 54 ASP HA H 79 4.540 4.540 5.036 -0.496 18111
2600 1 8 . 1 1 54 54 ASP C C 79 176.099 176.099 175.974 0.125 18111
2601 1 8 . 1 1 54 54 ASP CA C 79 54.669 54.669 53.324 1.345 18111
2602 1 8 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.807 -0.981 18111
2603 1 8 . 1 1 55 55 VAL N N 80 120.501 120.501 121.745 -1.244 18111
2604 1 8 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.249 -0.449 18111
2605 1 8 . 1 1 55 55 VAL C C 80 175.957 175.957 175.945 0.012 18111
2606 1 8 . 1 1 55 55 VAL CA C 80 64.255 64.255 61.336 2.919 18111
2607 1 8 . 1 1 55 55 VAL CB C 80 31.533 31.533 30.315 1.218 18111
2608 1 8 . 1 1 55 55 VAL H H 80 8.658 8.658 7.889 0.769 18111
2609 1 8 . 1 1 56 56 ILE N N 81 128.523 128.523 123.574 4.949 18111
2610 1 8 . 1 1 56 56 ILE HA H 81 4.228 4.228 4.357 -0.129 18111
2611 1 8 . 1 1 56 56 ILE C C 81 175.957 175.957 176.062 -0.105 18111
2612 1 8 . 1 1 56 56 ILE CA C 81 61.785 61.785 60.695 1.090 18111
2613 1 8 . 1 1 56 56 ILE CB C 81 37.300 37.300 40.089 -2.788 18111
2614 1 8 . 1 1 56 56 ILE H H 81 8.905 8.905 7.889 1.016 18111
2615 1 8 . 1 1 57 57 SER N N 82 112.225 112.225 123.430 -11.205 18111
2616 1 8 . 1 1 57 57 SER HA H 82 4.851 4.851 4.590 0.261 18111
2617 1 8 . 1 1 57 57 SER C C 82 173.959 173.959 173.222 0.737 18111
2618 1 8 . 1 1 57 57 SER CA C 82 57.289 57.289 56.878 0.411 18111
2619 1 8 . 1 1 57 57 SER CB C 82 64.825 64.825 62.753 2.072 18111
2620 1 8 . 1 1 57 57 SER H H 82 7.671 7.671 8.615 -0.944 18111
2621 1 8 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.765 -0.244 18111
2622 1 8 . 1 1 58 58 ASP C C 83 175.427 175.427 174.693 0.734 18111
2623 1 8 . 1 1 58 58 ASP CA C 83 55.078 55.078 53.776 1.302 18111
2624 1 8 . 1 1 58 58 ASP CB C 83 41.727 41.727 39.409 2.318 18111
2625 1 9 . 1 1 2 2 LEU N N 27 128.700 128.700 122.842 5.858 18111
2626 1 9 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.387 0.671 18111
2627 1 9 . 1 1 2 2 LEU C C 27 177.649 177.649 174.795 2.854 18111
2628 1 9 . 1 1 2 2 LEU CA C 27 52.539 52.539 55.167 -2.628 18111
2629 1 9 . 1 1 2 2 LEU H H 27 8.701 8.701 7.978 0.723 18111
2630 1 9 . 1 1 3 3 ALA N N 28 124.154 124.154 121.565 2.589 18111
2631 1 9 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.557 -0.517 18111
2632 1 9 . 1 1 3 3 ALA C C 28 179.462 179.462 176.911 2.551 18111
2633 1 9 . 1 1 3 3 ALA CA C 28 51.966 51.966 50.350 1.616 18111
2634 1 9 . 1 1 3 3 ALA CB C 28 18.040 18.040 21.153 -3.113 18111
2635 1 9 . 1 1 3 3 ALA H H 28 9.243 9.243 7.630 1.613 18111
2636 1 9 . 1 1 4 4 GLU N N 29 126.521 126.521 121.646 4.875 18111
2637 1 9 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.618 -0.682 18111
2638 1 9 . 1 1 4 4 GLU C C 29 175.569 175.569 177.509 -1.940 18111
2639 1 9 . 1 1 4 4 GLU CA C 29 57.320 57.320 56.181 1.139 18111
2640 1 9 . 1 1 4 4 GLU CB C 29 30.056 30.056 28.799 1.257 18111
2641 1 9 . 1 1 4 4 GLU H H 29 8.342 8.342 8.615 -0.273 18111
2642 1 9 . 1 1 5 5 ILE N N 30 107.034 107.034 127.042 -20.008 18111
2643 1 9 . 1 1 5 5 ILE HA H 30 4.387 4.387 3.977 0.410 18111
2644 1 9 . 1 1 5 5 ILE C C 30 172.899 172.899 176.229 -3.330 18111
2645 1 9 . 1 1 5 5 ILE CA C 30 58.682 58.682 64.210 -5.528 18111
2646 1 9 . 1 1 5 5 ILE CB C 30 42.956 42.956 38.510 4.446 18111
2647 1 9 . 1 1 5 5 ILE H H 30 6.701 6.701 8.475 -1.774 18111
2648 1 9 . 1 1 6 6 SER N N 31 112.862 112.862 112.032 0.830 18111
2649 1 9 . 1 1 6 6 SER HA H 31 4.766 4.766 4.508 0.258 18111
2650 1 9 . 1 1 6 6 SER C C 31 174.795 174.795 172.861 1.934 18111
2651 1 9 . 1 1 6 6 SER CA C 31 56.389 56.389 58.544 -2.155 18111
2652 1 9 . 1 1 6 6 SER CB C 31 64.006 64.006 64.480 -0.474 18111
2653 1 9 . 1 1 6 6 SER H H 31 7.887 7.887 7.750 0.137 18111
2654 1 9 . 1 1 7 7 GLY N N 32 110.064 110.064 109.882 0.182 18111
2655 1 9 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.547 0.051 18111
2656 1 9 . 1 1 7 7 GLY C C 32 170.516 170.516 174.698 -4.182 18111
2657 1 9 . 1 1 7 7 GLY CA C 32 45.741 45.741 46.143 -0.402 18111
2658 1 9 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.076 0.912 18111
2659 1 9 . 1 1 7 7 GLY H H 32 8.575 8.575 7.929 0.646 18111
2660 1 9 . 1 1 8 8 ILE N N 33 120.398 120.398 119.904 0.494 18111
2661 1 9 . 1 1 8 8 ILE HA H 33 4.624 4.624 4.026 0.598 18111
2662 1 9 . 1 1 8 8 ILE C C 33 177.404 177.404 176.551 0.853 18111
2663 1 9 . 1 1 8 8 ILE CA C 33 59.338 59.338 62.112 -2.774 18111
2664 1 9 . 1 1 8 8 ILE CB C 33 38.573 38.573 38.941 -0.368 18111
2665 1 9 . 1 1 8 8 ILE H H 33 8.446 8.446 8.273 0.173 18111
2666 1 9 . 1 1 9 9 VAL N N 34 131.785 131.785 119.901 11.884 18111
2667 1 9 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.131 0.569 18111
2668 1 9 . 1 1 9 9 VAL C C 34 175.243 175.243 174.391 0.852 18111
2669 1 9 . 1 1 9 9 VAL CA C 34 62.628 62.628 61.086 1.542 18111
2670 1 9 . 1 1 9 9 VAL CB C 34 32.815 32.815 33.274 -0.459 18111
2671 1 9 . 1 1 9 9 VAL H H 34 8.993 8.993 7.691 1.302 18111
2672 1 9 . 1 1 10 10 SER N N 35 122.774 122.774 114.968 7.806 18111
2673 1 9 . 1 1 10 10 SER HA H 35 4.219 4.219 4.418 -0.199 18111
2674 1 9 . 1 1 10 10 SER C C 35 170.515 170.515 172.185 -1.670 18111
2675 1 9 . 1 1 10 10 SER CA C 35 58.027 58.027 56.925 1.103 18111
2676 1 9 . 1 1 10 10 SER CB C 35 65.234 65.234 66.118 -0.883 18111
2677 1 9 . 1 1 10 10 SER H H 35 9.670 9.670 7.518 2.152 18111
2678 1 9 . 1 1 11 11 PHE N N 36 115.035 115.035 120.925 -5.890 18111
2679 1 9 . 1 1 11 11 PHE HA H 36 5.775 5.775 5.065 0.710 18111
2680 1 9 . 1 1 11 11 PHE C C 36 177.567 177.567 174.385 3.182 18111
2681 1 9 . 1 1 11 11 PHE CA C 36 55.897 55.897 56.239 -0.342 18111
2682 1 9 . 1 1 11 11 PHE CB C 36 40.663 40.663 41.575 -0.912 18111
2683 1 9 . 1 1 11 11 PHE H H 36 8.500 8.500 8.309 0.191 18111
2684 1 9 . 1 1 12 12 GLY N N 37 110.705 110.705 111.770 -1.065 18111
2685 1 9 . 1 1 12 12 GLY HA H 37 5.473 5.473 5.049 0.424 18111
2686 1 9 . 1 1 12 12 GLY C C 37 173.960 173.960 173.796 0.164 18111
2687 1 9 . 1 1 12 12 GLY CA C 37 43.611 43.611 43.867 -0.256 18111
2688 1 9 . 1 1 12 12 GLY CB C 37 32.225 32.225 30.292 1.933 18111
2689 1 9 . 1 1 12 12 GLY H H 37 9.179 9.179 9.119 0.060 18111
2690 1 9 . 1 1 13 13 LYS N N 38 123.737 123.737 126.423 -2.686 18111
2691 1 9 . 1 1 13 13 LYS HA H 38 4.219 4.219 5.021 -0.802 18111
2692 1 9 . 1 1 13 13 LYS C C 38 176.364 176.364 175.753 0.611 18111
2693 1 9 . 1 1 13 13 LYS CA C 38 57.371 57.371 54.897 2.474 18111
2694 1 9 . 1 1 13 13 LYS CB C 38 32.783 32.783 33.407 -0.624 18111
2695 1 9 . 1 1 13 13 LYS H H 38 8.716 8.716 9.259 -0.543 18111
2696 1 9 . 1 1 14 14 GLU N N 39 126.129 126.129 129.495 -3.366 18111
2697 1 9 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.603 -0.035 18111
2698 1 9 . 1 1 14 14 GLU C C 39 177.118 177.118 175.672 1.446 18111
2699 1 9 . 1 1 14 14 GLU CA C 39 56.716 56.716 57.107 -0.391 18111
2700 1 9 . 1 1 14 14 GLU CB C 39 30.571 30.571 29.467 1.104 18111
2701 1 9 . 1 1 14 14 GLU H H 39 8.582 8.582 8.917 -0.335 18111
2702 1 9 . 1 1 15 15 THR N N 40 117.595 117.595 117.255 0.340 18111
2703 1 9 . 1 1 15 15 THR HA H 40 4.543 4.543 5.049 -0.506 18111
2704 1 9 . 1 1 15 15 THR C C 40 173.063 173.063 172.239 0.824 18111
2705 1 9 . 1 1 15 15 THR CA C 40 61.057 61.057 58.805 2.252 18111
2706 1 9 . 1 1 15 15 THR CB C 40 70.968 70.968 70.267 0.701 18111
2707 1 9 . 1 1 15 15 THR H H 40 8.202 8.202 9.113 -0.911 18111
2708 1 9 . 1 1 16 16 LYS N N 41 120.682 120.682 126.881 -6.199 18111
2709 1 9 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.828 -0.156 18111
2710 1 9 . 1 1 16 16 LYS C C 41 176.162 176.162 175.807 0.355 18111
2711 1 9 . 1 1 16 16 LYS CA C 41 54.311 54.311 54.449 -0.138 18111
2712 1 9 . 1 1 16 16 LYS CB C 41 41.241 41.241 35.179 6.062 18111
2713 1 9 . 1 1 16 16 LYS H H 41 9.220 9.220 8.703 0.517 18111
2714 1 9 . 1 1 17 17 GLY N N 42 115.021 115.021 115.928 -0.907 18111
2715 1 9 . 1 1 17 17 GLY CA C 42 46.396 46.396 43.817 2.579 18111
2716 1 9 . 1 1 17 17 GLY H H 42 7.904 7.904 8.697 -0.792 18111
2717 1 9 . 1 1 18 18 LYS N N 43 121.239 121.239 118.320 2.919 18111
2718 1 9 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.197 0.522 18111
2719 1 9 . 1 1 18 18 LYS C C 43 175.095 175.095 175.432 -0.337 18111
2720 1 9 . 1 1 18 18 LYS CA C 43 54.505 54.505 58.175 -3.670 18111
2721 1 9 . 1 1 18 18 LYS CB C 43 34.748 34.748 32.439 2.309 18111
2722 1 9 . 1 1 18 18 LYS H H 43 8.323 8.323 8.434 -0.111 18111
2723 1 9 . 1 1 19 19 ARG N N 44 118.685 118.685 120.852 -2.167 18111
2724 1 9 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.318 0.156 18111
2725 1 9 . 1 1 19 19 ARG C C 44 174.184 174.184 176.358 -2.174 18111
2726 1 9 . 1 1 19 19 ARG CA C 44 54.423 54.423 57.251 -2.828 18111
2727 1 9 . 1 1 19 19 ARG CB C 44 32.619 32.619 31.150 1.469 18111
2728 1 9 . 1 1 19 19 ARG H H 44 8.936 8.936 7.931 1.005 18111
2729 1 9 . 1 1 20 20 ARG N N 45 126.346 126.346 114.592 11.754 18111
2730 1 9 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.643 0.415 18111
2731 1 9 . 1 1 20 20 ARG C C 45 174.999 174.999 174.463 0.536 18111
2732 1 9 . 1 1 20 20 ARG CA C 45 54.095 54.095 54.656 -0.561 18111
2733 1 9 . 1 1 20 20 ARG CB C 45 32.298 32.298 31.695 0.603 18111
2734 1 9 . 1 1 20 20 ARG H H 45 8.881 8.881 7.788 1.093 18111
2735 1 9 . 1 1 21 21 LEU N N 46 130.427 130.427 123.042 7.385 18111
2736 1 9 . 1 1 21 21 LEU HA H 46 4.417 4.417 5.120 -0.703 18111
2737 1 9 . 1 1 21 21 LEU C C 46 173.593 173.593 176.498 -2.905 18111
2738 1 9 . 1 1 21 21 LEU CA C 46 55.324 55.324 54.704 0.620 18111
2739 1 9 . 1 1 21 21 LEU CB C 46 43.775 43.775 42.380 1.395 18111
2740 1 9 . 1 1 21 21 LEU H H 46 8.858 8.858 8.737 0.121 18111
2741 1 9 . 1 1 22 22 VAL N N 47 127.940 127.940 122.563 5.377 18111
2742 1 9 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.835 0.138 18111
2743 1 9 . 1 1 22 22 VAL C C 47 175.529 175.529 173.797 1.732 18111
2744 1 9 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.117 0.694 18111
2745 1 9 . 1 1 22 22 VAL CB C 47 32.946 32.946 35.467 -2.521 18111
2746 1 9 . 1 1 22 22 VAL H H 47 8.665 8.665 8.839 -0.174 18111
2747 1 9 . 1 1 23 23 ILE N N 48 124.228 124.228 121.727 2.501 18111
2748 1 9 . 1 1 23 23 ILE HA H 48 4.606 4.606 5.076 -0.470 18111
2749 1 9 . 1 1 23 23 ILE C C 48 175.732 175.732 174.641 1.091 18111
2750 1 9 . 1 1 23 23 ILE CA C 48 60.730 60.730 59.418 1.312 18111
2751 1 9 . 1 1 23 23 ILE CB C 48 39.745 39.745 40.765 -1.020 18111
2752 1 9 . 1 1 23 23 ILE H H 48 9.374 9.374 8.766 0.608 18111
2753 1 9 . 1 1 24 24 THR N N 49 124.978 124.978 117.565 7.413 18111
2754 1 9 . 1 1 24 24 THR HA H 49 4.557 4.557 4.995 -0.438 18111
2755 1 9 . 1 1 24 24 THR C C 49 173.572 173.572 171.557 2.015 18111
2756 1 9 . 1 1 24 24 THR CA C 49 60.893 60.893 58.078 2.815 18111
2757 1 9 . 1 1 24 24 THR CB C 49 69.821 69.821 72.634 -2.813 18111
2758 1 9 . 1 1 24 24 THR H H 49 9.018 9.018 8.823 0.195 18111
2759 1 9 . 1 1 25 25 PRO HA H 50 4.804 4.804 4.708 0.096 18111
2760 1 9 . 1 1 25 25 PRO C C 50 177.913 177.913 176.021 1.892 18111
2761 1 9 . 1 1 25 25 PRO CA C 50 62.777 62.777 61.815 0.962 18111
2762 1 9 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.606 2.078 18111
2763 1 9 . 1 1 26 26 VAL N N 51 116.090 116.090 121.191 -5.101 18111
2764 1 9 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.393 -0.193 18111
2765 1 9 . 1 1 26 26 VAL C C 51 176.323 176.323 175.516 0.807 18111
2766 1 9 . 1 1 26 26 VAL CA C 51 62.777 62.777 61.144 1.633 18111
2767 1 9 . 1 1 26 26 VAL CB C 51 31.390 31.390 34.572 -3.183 18111
2768 1 9 . 1 1 26 26 VAL H H 51 8.584 8.584 8.292 0.292 18111
2769 1 9 . 1 1 27 27 ASP N N 52 118.508 118.508 127.122 -8.614 18111
2770 1 9 . 1 1 27 27 ASP HA H 52 4.596 4.596 5.033 -0.437 18111
2771 1 9 . 1 1 27 27 ASP C C 52 177.240 177.240 175.415 1.825 18111
2772 1 9 . 1 1 27 27 ASP CA C 52 53.358 53.358 53.341 0.017 18111
2773 1 9 . 1 1 27 27 ASP CB C 52 40.826 40.826 41.039 -0.213 18111
2774 1 9 . 1 1 27 27 ASP H H 52 7.756 7.756 9.052 -1.296 18111
2775 1 9 . 1 1 28 28 GLY N N 53 107.578 107.578 112.162 -4.584 18111
2776 1 9 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.972 -0.373 18111
2777 1 9 . 1 1 28 28 GLY C C 53 174.652 174.652 173.553 1.099 18111
2778 1 9 . 1 1 28 28 GLY CA C 53 45.577 45.577 43.644 1.933 18111
2779 1 9 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.589 0.889 18111
2780 1 9 . 1 1 28 28 GLY H H 53 7.819 7.819 8.546 -0.727 18111
2781 1 9 . 1 1 29 29 SER N N 54 115.662 115.662 114.700 0.962 18111
2782 1 9 . 1 1 29 29 SER HA H 54 4.426 4.426 4.513 -0.087 18111
2783 1 9 . 1 1 29 29 SER C C 54 172.696 172.696 174.431 -1.735 18111
2784 1 9 . 1 1 29 29 SER CA C 54 59.010 59.010 60.520 -1.510 18111
2785 1 9 . 1 1 29 29 SER CB C 54 63.596 63.596 64.439 -0.843 18111
2786 1 9 . 1 1 29 29 SER H H 54 7.827 7.827 8.759 -0.932 18111
2787 1 9 . 1 1 30 30 ASP N N 55 119.004 119.004 117.376 1.628 18111
2788 1 9 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.724 0.082 18111
2789 1 9 . 1 1 30 30 ASP C C 55 174.102 174.102 176.155 -2.053 18111
2790 1 9 . 1 1 30 30 ASP CA C 55 53.849 53.849 51.950 1.899 18111
2791 1 9 . 1 1 30 30 ASP CB C 55 40.335 40.335 44.247 -3.912 18111
2792 1 9 . 1 1 30 30 ASP H H 55 8.114 8.114 7.611 0.503 18111
2793 1 9 . 1 1 31 31 PRO N N 56 123.263 123.263 123.208 0.055 18111
2794 1 9 . 1 1 31 31 PRO HA H 56 4.634 4.634 3.737 0.897 18111
2795 1 9 . 1 1 31 31 PRO C C 56 175.692 175.692 178.895 -3.203 18111
2796 1 9 . 1 1 31 31 PRO CA C 56 62.941 62.941 66.543 -3.602 18111
2797 1 9 . 1 1 31 31 PRO CB C 56 32.455 32.455 31.120 1.335 18111
2798 1 9 . 1 1 31 31 PRO H H 56 8.869 8.869 8.654 0.215 18111
2799 1 9 . 1 1 32 32 TYR N N 57 124.973 124.973 118.714 6.259 18111
2800 1 9 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.148 0.439 18111
2801 1 9 . 1 1 32 32 TYR C C 57 173.450 173.450 177.971 -4.521 18111
2802 1 9 . 1 1 32 32 TYR CA C 57 57.863 57.863 61.827 -3.964 18111
2803 1 9 . 1 1 32 32 TYR CB C 57 41.727 41.727 38.108 3.619 18111
2804 1 9 . 1 1 32 32 TYR H H 57 8.639 8.639 8.276 0.363 18111
2805 1 9 . 1 1 33 33 GLU N N 58 124.075 124.075 119.200 4.875 18111
2806 1 9 . 1 1 33 33 GLU HA H 58 5.699 5.699 4.022 1.677 18111
2807 1 9 . 1 1 33 33 GLU C C 58 173.980 173.980 178.317 -4.337 18111
2808 1 9 . 1 1 33 33 GLU CA C 58 53.686 53.686 59.095 -5.409 18111
2809 1 9 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.083 5.174 18111
2810 1 9 . 1 1 33 33 GLU H H 58 6.719 6.719 8.419 -1.700 18111
2811 1 9 . 1 1 34 34 GLU N N 59 115.961 115.961 119.536 -3.575 18111
2812 1 9 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.845 1.072 18111
2813 1 9 . 1 1 34 34 GLU C C 59 174.143 174.143 178.250 -4.107 18111
2814 1 9 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.452 -3.964 18111
2815 1 9 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.378 6.289 18111
2816 1 9 . 1 1 34 34 GLU H H 59 8.854 8.854 8.322 0.532 18111
2817 1 9 . 1 1 35 35 MET N N 60 117.652 117.652 117.924 -0.272 18111
2818 1 9 . 1 1 35 35 MET HA H 60 4.973 4.973 4.130 0.843 18111
2819 1 9 . 1 1 35 35 MET C C 60 175.305 175.305 178.347 -3.042 18111
2820 1 9 . 1 1 35 35 MET CA C 60 53.849 53.849 58.203 -4.354 18111
2821 1 9 . 1 1 35 35 MET CB C 60 34.830 34.830 32.020 2.810 18111
2822 1 9 . 1 1 35 35 MET H H 60 8.938 8.938 8.369 0.569 18111
2823 1 9 . 1 1 36 36 ILE N N 61 118.458 118.458 120.059 -1.601 18111
2824 1 9 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.859 0.634 18111
2825 1 9 . 1 1 36 36 ILE C C 61 179.326 179.326 179.408 -0.082 18111
2826 1 9 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.322 -9.822 18111
2827 1 9 . 1 1 36 36 ILE CB C 61 32.420 32.420 37.620 -5.200 18111
2828 1 9 . 1 1 36 36 ILE H H 61 8.942 8.942 8.011 0.931 18111
2829 1 9 . 1 1 37 37 PRO N N 62 119.807 119.807 119.938 -0.131 18111
2830 1 9 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.190 0.136 18111
2831 1 9 . 1 1 37 37 PRO C C 62 178.789 178.789 180.201 -1.412 18111
2832 1 9 . 1 1 37 37 PRO CA C 62 63.351 63.351 66.064 -2.713 18111
2833 1 9 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.436 0.781 18111
2834 1 9 . 1 1 37 37 PRO H H 62 8.627 8.627 8.316 0.311 18111
2835 1 9 . 1 1 38 38 LYS N N 63 122.363 122.363 118.888 3.475 18111
2836 1 9 . 1 1 38 38 LYS HA H 63 3.794 3.794 4.153 -0.359 18111
2837 1 9 . 1 1 38 38 LYS C C 63 175.284 175.284 177.779 -2.495 18111
2838 1 9 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.398 -0.470 18111
2839 1 9 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.731 0.151 18111
2840 1 9 . 1 1 38 38 LYS H H 63 8.629 8.629 8.512 0.117 18111
2841 1 9 . 1 1 39 39 TRP N N 64 110.966 110.966 119.715 -8.749 18111
2842 1 9 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.566 -0.008 18111
2843 1 9 . 1 1 39 39 TRP C C 64 177.281 177.281 178.203 -0.922 18111
2844 1 9 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.705 -3.726 18111
2845 1 9 . 1 1 39 39 TRP CB C 64 28.524 28.524 30.248 -1.724 18111
2846 1 9 . 1 1 39 39 TRP H H 64 6.689 6.689 7.367 -0.678 18111
2847 1 9 . 1 1 40 40 ARG N N 65 120.429 120.429 119.198 1.231 18111
2848 1 9 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.192 -0.020 18111
2849 1 9 . 1 1 40 40 ARG C C 65 176.059 176.059 178.341 -2.282 18111
2850 1 9 . 1 1 40 40 ARG CA C 65 55.324 55.324 59.717 -4.393 18111
2851 1 9 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.797 -2.277 18111
2852 1 9 . 1 1 40 40 ARG H H 65 6.450 6.450 8.837 -2.387 18111
2853 1 9 . 1 1 41 41 GLN N N 66 125.132 125.132 117.371 7.761 18111
2854 1 9 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.232 0.053 18111
2855 1 9 . 1 1 41 41 GLN C C 66 176.283 176.283 176.702 -0.419 18111
2856 1 9 . 1 1 41 41 GLN CA C 66 55.651 55.651 57.949 -2.298 18111
2857 1 9 . 1 1 41 41 GLN CB C 66 28.933 28.933 29.054 -0.121 18111
2858 1 9 . 1 1 41 41 GLN H H 66 9.430 9.430 8.425 1.005 18111
2859 1 9 . 1 1 42 42 LEU N N 67 127.081 127.081 118.642 8.439 18111
2860 1 9 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.416 0.557 18111
2861 1 9 . 1 1 42 42 LEU C C 67 177.179 177.179 178.863 -1.684 18111
2862 1 9 . 1 1 42 42 LEU CA C 67 53.686 53.686 57.488 -3.802 18111
2863 1 9 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.595 0.344 18111
2864 1 9 . 1 1 42 42 LEU H H 67 8.971 8.971 7.674 1.297 18111
2865 1 9 . 1 1 43 43 ASN N N 68 118.458 118.458 117.947 0.511 18111
2866 1 9 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.176 -0.401 18111
2867 1 9 . 1 1 43 43 ASN C C 68 174.265 174.265 175.228 -0.963 18111
2868 1 9 . 1 1 43 43 ASN CA C 68 52.950 52.950 56.638 -3.688 18111
2869 1 9 . 1 1 43 43 ASN CB C 68 39.499 39.499 35.600 3.899 18111
2870 1 9 . 1 1 43 43 ASN H H 68 8.898 8.898 8.782 0.116 18111
2871 1 9 . 1 1 44 44 VAL HA H 69 4.813 4.813 4.108 0.705 18111
2872 1 9 . 1 1 44 44 VAL C C 69 173.389 173.389 175.425 -2.036 18111
2873 1 9 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.493 -5.221 18111
2874 1 9 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.773 4.139 18111
2875 1 9 . 1 1 45 45 PHE N N 70 118.947 118.947 116.726 2.221 18111
2876 1 9 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.658 0.240 18111
2877 1 9 . 1 1 45 45 PHE C C 70 174.591 174.591 175.847 -1.256 18111
2878 1 9 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.926 -2.357 18111
2879 1 9 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.687 2.040 18111
2880 1 9 . 1 1 45 45 PHE H H 70 8.261 8.261 7.870 0.391 18111
2881 1 9 . 1 1 46 46 GLU N N 71 119.246 119.246 117.396 1.850 18111
2882 1 9 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.910 -0.135 18111
2883 1 9 . 1 1 46 46 GLU C C 71 177.200 177.200 175.637 1.563 18111
2884 1 9 . 1 1 46 46 GLU CA C 71 58.424 58.424 55.858 2.566 18111
2885 1 9 . 1 1 46 46 GLU H H 71 8.706 8.706 7.701 1.005 18111
2886 1 9 . 1 1 47 47 GLY N N 72 114.762 114.762 110.261 4.501 18111
2887 1 9 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.652 0.272 18111
2888 1 9 . 1 1 47 47 GLY C C 72 174.204 174.204 173.718 0.486 18111
2889 1 9 . 1 1 47 47 GLY CA C 72 44.922 44.922 44.141 0.781 18111
2890 1 9 . 1 1 47 47 GLY CB C 72 42.000 42.000 40.525 1.475 18111
2891 1 9 . 1 1 47 47 GLY H H 72 9.345 9.345 8.097 1.248 18111
2892 1 9 . 1 1 48 48 GLU N N 73 121.519 121.519 126.622 -5.103 18111
2893 1 9 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.585 -0.395 18111
2894 1 9 . 1 1 48 48 GLU C C 73 174.836 174.836 175.902 -1.066 18111
2895 1 9 . 1 1 48 48 GLU CA C 73 56.880 56.880 54.175 2.705 18111
2896 1 9 . 1 1 48 48 GLU CB C 73 30.899 30.899 30.473 0.426 18111
2897 1 9 . 1 1 48 48 GLU H H 73 7.866 7.866 9.025 -1.159 18111
2898 1 9 . 1 1 49 49 ARG N N 74 122.680 122.680 123.930 -1.250 18111
2899 1 9 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.383 0.487 18111
2900 1 9 . 1 1 49 49 ARG C C 74 176.222 176.222 176.452 -0.230 18111
2901 1 9 . 1 1 49 49 ARG CA C 74 55.488 55.488 56.684 -1.196 18111
2902 1 9 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.083 1.062 18111
2903 1 9 . 1 1 49 49 ARG H H 74 8.446 8.446 8.353 0.093 18111
2904 1 9 . 1 1 50 50 VAL N N 75 118.810 118.810 124.995 -6.185 18111
2905 1 9 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.348 0.390 18111
2906 1 9 . 1 1 50 50 VAL C C 75 174.877 174.877 176.215 -1.338 18111
2907 1 9 . 1 1 50 50 VAL CA C 75 58.846 58.846 62.147 -3.301 18111
2908 1 9 . 1 1 50 50 VAL CB C 75 35.076 35.076 33.322 1.754 18111
2909 1 9 . 1 1 50 50 VAL H H 75 9.151 9.151 8.957 0.194 18111
2910 1 9 . 1 1 51 51 GLU N N 76 123.487 123.487 119.500 3.987 18111
2911 1 9 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.724 -0.109 18111
2912 1 9 . 1 1 51 51 GLU C C 76 175.631 175.631 174.125 1.506 18111
2913 1 9 . 1 1 51 51 GLU CA C 76 53.112 53.112 55.460 -2.348 18111
2914 1 9 . 1 1 51 51 GLU CB C 76 31.390 31.390 34.024 -2.634 18111
2915 1 9 . 1 1 51 51 GLU H H 76 8.787 8.787 7.878 0.909 18111
2916 1 9 . 1 1 52 52 ARG N N 77 122.407 122.407 120.376 2.031 18111
2917 1 9 . 1 1 52 52 ARG HA H 77 3.351 3.351 5.152 -1.801 18111
2918 1 9 . 1 1 52 52 ARG C C 77 177.220 177.220 174.668 2.552 18111
2919 1 9 . 1 1 52 52 ARG CA C 77 57.693 57.693 54.280 3.413 18111
2920 1 9 . 1 1 52 52 ARG CB C 77 29.342 29.342 33.836 -4.494 18111
2921 1 9 . 1 1 52 52 ARG H H 77 8.160 8.160 8.409 -0.249 18111
2922 1 9 . 1 1 53 53 GLY N N 78 116.273 116.273 114.887 1.386 18111
2923 1 9 . 1 1 53 53 GLY C C 78 173.715 173.715 172.854 0.861 18111
2924 1 9 . 1 1 53 53 GLY CA C 78 44.840 44.840 41.779 3.061 18111
2925 1 9 . 1 1 53 53 GLY CB C 78 31.660 31.660 31.638 0.022 18111
2926 1 9 . 1 1 53 53 GLY H H 78 9.194 9.194 9.139 0.055 18111
2927 1 9 . 1 1 54 54 ASP HA H 79 4.540 4.540 5.016 -0.476 18111
2928 1 9 . 1 1 54 54 ASP C C 79 176.099 176.099 175.274 0.825 18111
2929 1 9 . 1 1 54 54 ASP CA C 79 54.669 54.669 53.713 0.956 18111
2930 1 9 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.523 -0.696 18111
2931 1 9 . 1 1 55 55 VAL N N 80 120.501 120.501 126.589 -6.088 18111
2932 1 9 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.346 -0.546 18111
2933 1 9 . 1 1 55 55 VAL C C 80 175.957 175.957 175.738 0.219 18111
2934 1 9 . 1 1 55 55 VAL CA C 80 64.255 64.255 60.043 4.212 18111
2935 1 9 . 1 1 55 55 VAL CB C 80 31.533 31.533 31.295 0.238 18111
2936 1 9 . 1 1 55 55 VAL H H 80 8.658 8.658 8.655 0.003 18111
2937 1 9 . 1 1 56 56 ILE N N 81 128.523 128.523 125.891 2.632 18111
2938 1 9 . 1 1 56 56 ILE HA H 81 4.228 4.228 3.899 0.329 18111
2939 1 9 . 1 1 56 56 ILE C C 81 175.957 175.957 174.666 1.291 18111
2940 1 9 . 1 1 56 56 ILE CA C 81 61.785 61.785 62.306 -0.521 18111
2941 1 9 . 1 1 56 56 ILE CB C 81 37.300 37.300 38.443 -1.143 18111
2942 1 9 . 1 1 56 56 ILE H H 81 8.905 8.905 8.596 0.309 18111
2943 1 9 . 1 1 57 57 SER N N 82 112.225 112.225 114.132 -1.907 18111
2944 1 9 . 1 1 57 57 SER HA H 82 4.851 4.851 4.918 -0.067 18111
2945 1 9 . 1 1 57 57 SER C C 82 173.959 173.959 171.709 2.250 18111
2946 1 9 . 1 1 57 57 SER CA C 82 57.289 57.289 55.134 2.155 18111
2947 1 9 . 1 1 57 57 SER CB C 82 64.825 64.825 62.738 2.087 18111
2948 1 9 . 1 1 57 57 SER H H 82 7.671 7.671 7.970 -0.299 18111
2949 1 9 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.693 -0.172 18111
2950 1 9 . 1 1 58 58 ASP C C 83 175.427 175.427 175.100 0.327 18111
2951 1 9 . 1 1 58 58 ASP CA C 83 55.078 55.078 53.922 1.157 18111
2952 1 9 . 1 1 58 58 ASP CB C 83 41.727 41.727 40.901 0.826 18111
2953 1 10 . 1 1 2 2 LEU N N 27 128.700 128.700 124.864 3.836 18111
2954 1 10 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.387 0.671 18111
2955 1 10 . 1 1 2 2 LEU C C 27 177.649 177.649 175.609 2.040 18111
2956 1 10 . 1 1 2 2 LEU CA C 27 52.539 52.539 54.827 -2.288 18111
2957 1 10 . 1 1 2 2 LEU H H 27 8.701 8.701 8.500 0.201 18111
2958 1 10 . 1 1 3 3 ALA N N 28 124.154 124.154 123.421 0.733 18111
2959 1 10 . 1 1 3 3 ALA HA H 28 4.040 4.040 4.504 -0.464 18111
2960 1 10 . 1 1 3 3 ALA C C 28 179.462 179.462 177.167 2.295 18111
2961 1 10 . 1 1 3 3 ALA CA C 28 51.966 51.966 51.174 0.792 18111
2962 1 10 . 1 1 3 3 ALA CB C 28 18.040 18.040 21.425 -3.385 18111
2963 1 10 . 1 1 3 3 ALA H H 28 9.243 9.243 7.551 1.692 18111
2964 1 10 . 1 1 4 4 GLU N N 29 126.521 126.521 119.515 7.006 18111
2965 1 10 . 1 1 4 4 GLU HA H 29 3.936 3.936 4.254 -0.318 18111
2966 1 10 . 1 1 4 4 GLU C C 29 175.569 175.569 176.844 -1.275 18111
2967 1 10 . 1 1 4 4 GLU CA C 29 57.320 57.320 56.292 1.028 18111
2968 1 10 . 1 1 4 4 GLU CB C 29 30.056 30.056 29.761 0.295 18111
2969 1 10 . 1 1 4 4 GLU H H 29 8.342 8.342 8.284 0.058 18111
2970 1 10 . 1 1 5 5 ILE N N 30 107.034 107.034 117.692 -10.658 18111
2971 1 10 . 1 1 5 5 ILE HA H 30 4.387 4.387 4.205 0.182 18111
2972 1 10 . 1 1 5 5 ILE C C 30 172.899 172.899 173.886 -0.987 18111
2973 1 10 . 1 1 5 5 ILE CA C 30 58.682 58.682 60.893 -2.211 18111
2974 1 10 . 1 1 5 5 ILE CB C 30 42.956 42.956 38.770 4.186 18111
2975 1 10 . 1 1 5 5 ILE H H 30 6.701 6.701 7.559 -0.858 18111
2976 1 10 . 1 1 6 6 SER N N 31 112.862 112.862 118.848 -5.986 18111
2977 1 10 . 1 1 6 6 SER HA H 31 4.766 4.766 4.507 0.259 18111
2978 1 10 . 1 1 6 6 SER C C 31 174.795 174.795 173.678 1.117 18111
2979 1 10 . 1 1 6 6 SER CA C 31 56.389 56.389 58.627 -2.238 18111
2980 1 10 . 1 1 6 6 SER CB C 31 64.006 64.006 64.692 -0.686 18111
2981 1 10 . 1 1 6 6 SER H H 31 7.887 7.887 8.455 -0.568 18111
2982 1 10 . 1 1 7 7 GLY N N 32 110.064 110.064 111.920 -1.856 18111
2983 1 10 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.816 -0.218 18111
2984 1 10 . 1 1 7 7 GLY C C 32 170.516 170.516 174.742 -4.226 18111
2985 1 10 . 1 1 7 7 GLY CA C 32 45.741 45.741 44.883 0.858 18111
2986 1 10 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.276 0.712 18111
2987 1 10 . 1 1 7 7 GLY H H 32 8.575 8.575 8.432 0.143 18111
2988 1 10 . 1 1 8 8 ILE N N 33 120.398 120.398 117.693 2.705 18111
2989 1 10 . 1 1 8 8 ILE HA H 33 4.624 4.624 3.844 0.780 18111
2990 1 10 . 1 1 8 8 ILE C C 33 177.404 177.404 176.186 1.218 18111
2991 1 10 . 1 1 8 8 ILE CA C 33 59.338 59.338 62.693 -3.355 18111
2992 1 10 . 1 1 8 8 ILE CB C 33 38.573 38.573 38.248 0.325 18111
2993 1 10 . 1 1 8 8 ILE H H 33 8.446 8.446 8.527 -0.081 18111
2994 1 10 . 1 1 9 9 VAL N N 34 131.785 131.785 118.425 13.360 18111
2995 1 10 . 1 1 9 9 VAL HA H 34 4.700 4.700 4.293 0.407 18111
2996 1 10 . 1 1 9 9 VAL C C 34 175.243 175.243 173.208 2.035 18111
2997 1 10 . 1 1 9 9 VAL CA C 34 62.628 62.628 60.636 1.992 18111
2998 1 10 . 1 1 9 9 VAL CB C 34 32.815 32.815 34.875 -2.060 18111
2999 1 10 . 1 1 9 9 VAL H H 34 8.993 8.993 7.621 1.372 18111
3000 1 10 . 1 1 10 10 SER N N 35 122.774 122.774 114.672 8.102 18111
3001 1 10 . 1 1 10 10 SER HA H 35 4.219 4.219 4.285 -0.066 18111
3002 1 10 . 1 1 10 10 SER C C 35 170.515 170.515 172.057 -1.542 18111
3003 1 10 . 1 1 10 10 SER CA C 35 58.027 58.027 57.163 0.864 18111
3004 1 10 . 1 1 10 10 SER CB C 35 65.234 65.234 64.355 0.879 18111
3005 1 10 . 1 1 10 10 SER H H 35 9.670 9.670 8.040 1.630 18111
3006 1 10 . 1 1 11 11 PHE N N 36 115.035 115.035 122.127 -7.092 18111
3007 1 10 . 1 1 11 11 PHE HA H 36 5.775 5.775 4.952 0.823 18111
3008 1 10 . 1 1 11 11 PHE C C 36 177.567 177.567 174.380 3.187 18111
3009 1 10 . 1 1 11 11 PHE CA C 36 55.897 55.897 55.758 0.139 18111
3010 1 10 . 1 1 11 11 PHE CB C 36 40.663 40.663 41.136 -0.473 18111
3011 1 10 . 1 1 11 11 PHE H H 36 8.500 8.500 8.107 0.393 18111
3012 1 10 . 1 1 12 12 GLY N N 37 110.705 110.705 112.038 -1.333 18111
3013 1 10 . 1 1 12 12 GLY HA H 37 5.473 5.473 4.793 0.680 18111
3014 1 10 . 1 1 12 12 GLY C C 37 173.960 173.960 173.702 0.258 18111
3015 1 10 . 1 1 12 12 GLY CA C 37 43.611 43.611 44.106 -0.495 18111
3016 1 10 . 1 1 12 12 GLY CB C 37 32.225 32.225 29.771 2.454 18111
3017 1 10 . 1 1 12 12 GLY H H 37 9.179 9.179 9.045 0.134 18111
3018 1 10 . 1 1 13 13 LYS N N 38 123.737 123.737 126.870 -3.133 18111
3019 1 10 . 1 1 13 13 LYS HA H 38 4.219 4.219 5.066 -0.847 18111
3020 1 10 . 1 1 13 13 LYS C C 38 176.364 176.364 175.324 1.040 18111
3021 1 10 . 1 1 13 13 LYS CA C 38 57.371 57.371 54.857 2.514 18111
3022 1 10 . 1 1 13 13 LYS CB C 38 32.783 32.783 34.380 -1.597 18111
3023 1 10 . 1 1 13 13 LYS H H 38 8.716 8.716 9.299 -0.583 18111
3024 1 10 . 1 1 14 14 GLU N N 39 126.129 126.129 127.388 -1.259 18111
3025 1 10 . 1 1 14 14 GLU HA H 39 4.568 4.568 5.083 -0.515 18111
3026 1 10 . 1 1 14 14 GLU C C 39 177.118 177.118 175.308 1.810 18111
3027 1 10 . 1 1 14 14 GLU CA C 39 56.716 56.716 55.169 1.547 18111
3028 1 10 . 1 1 14 14 GLU CB C 39 30.571 30.571 29.837 0.734 18111
3029 1 10 . 1 1 14 14 GLU H H 39 8.582 8.582 8.797 -0.215 18111
3030 1 10 . 1 1 15 15 THR N N 40 117.595 117.595 122.997 -5.402 18111
3031 1 10 . 1 1 15 15 THR HA H 40 4.543 4.543 4.598 -0.055 18111
3032 1 10 . 1 1 15 15 THR C C 40 173.063 173.063 172.197 0.866 18111
3033 1 10 . 1 1 15 15 THR CA C 40 61.057 61.057 60.384 0.673 18111
3034 1 10 . 1 1 15 15 THR CB C 40 70.968 70.968 70.014 0.954 18111
3035 1 10 . 1 1 15 15 THR H H 40 8.202 8.202 8.993 -0.791 18111
3036 1 10 . 1 1 16 16 LYS N N 41 120.682 120.682 126.987 -6.305 18111
3037 1 10 . 1 1 16 16 LYS HA H 41 4.672 4.672 4.501 0.171 18111
3038 1 10 . 1 1 16 16 LYS C C 41 176.162 176.162 176.158 0.004 18111
3039 1 10 . 1 1 16 16 LYS CA C 41 54.311 54.311 53.937 0.374 18111
3040 1 10 . 1 1 16 16 LYS CB C 41 41.241 41.241 34.890 6.351 18111
3041 1 10 . 1 1 16 16 LYS H H 41 9.220 9.220 9.144 0.076 18111
3042 1 10 . 1 1 17 17 GLY N N 42 115.021 115.021 117.066 -2.045 18111
3043 1 10 . 1 1 17 17 GLY CA C 42 46.396 46.396 44.666 1.730 18111
3044 1 10 . 1 1 17 17 GLY H H 42 7.904 7.904 8.668 -0.764 18111
3045 1 10 . 1 1 18 18 LYS N N 43 121.239 121.239 119.049 2.190 18111
3046 1 10 . 1 1 18 18 LYS HA H 43 4.719 4.719 4.406 0.313 18111
3047 1 10 . 1 1 18 18 LYS C C 43 175.095 175.095 174.427 0.668 18111
3048 1 10 . 1 1 18 18 LYS CA C 43 54.505 54.505 58.048 -3.543 18111
3049 1 10 . 1 1 18 18 LYS CB C 43 34.748 34.748 31.819 2.929 18111
3050 1 10 . 1 1 18 18 LYS H H 43 8.323 8.323 8.379 -0.056 18111
3051 1 10 . 1 1 19 19 ARG N N 44 118.685 118.685 119.795 -1.110 18111
3052 1 10 . 1 1 19 19 ARG HA H 44 4.474 4.474 4.532 -0.058 18111
3053 1 10 . 1 1 19 19 ARG C C 44 174.184 174.184 175.465 -1.281 18111
3054 1 10 . 1 1 19 19 ARG CA C 44 54.423 54.423 56.665 -2.242 18111
3055 1 10 . 1 1 19 19 ARG CB C 44 32.619 32.619 32.833 -0.214 18111
3056 1 10 . 1 1 19 19 ARG H H 44 8.936 8.936 7.562 1.374 18111
3057 1 10 . 1 1 20 20 ARG N N 45 126.346 126.346 121.355 4.991 18111
3058 1 10 . 1 1 20 20 ARG HA H 45 5.058 5.058 4.684 0.374 18111
3059 1 10 . 1 1 20 20 ARG C C 45 174.999 174.999 174.617 0.382 18111
3060 1 10 . 1 1 20 20 ARG CA C 45 54.095 54.095 55.134 -1.039 18111
3061 1 10 . 1 1 20 20 ARG CB C 45 32.298 32.298 33.509 -1.211 18111
3062 1 10 . 1 1 20 20 ARG H H 45 8.881 8.881 8.595 0.286 18111
3063 1 10 . 1 1 21 21 LEU N N 46 130.427 130.427 126.466 3.961 18111
3064 1 10 . 1 1 21 21 LEU HA H 46 4.417 4.417 4.979 -0.562 18111
3065 1 10 . 1 1 21 21 LEU C C 46 173.593 173.593 175.457 -1.864 18111
3066 1 10 . 1 1 21 21 LEU CA C 46 55.324 55.324 53.011 2.313 18111
3067 1 10 . 1 1 21 21 LEU CB C 46 43.775 43.775 43.089 0.686 18111
3068 1 10 . 1 1 21 21 LEU H H 46 8.858 8.858 8.169 0.689 18111
3069 1 10 . 1 1 22 22 VAL N N 47 127.940 127.940 118.811 9.129 18111
3070 1 10 . 1 1 22 22 VAL HA H 47 4.973 4.973 4.413 0.560 18111
3071 1 10 . 1 1 22 22 VAL C C 47 175.529 175.529 173.799 1.730 18111
3072 1 10 . 1 1 22 22 VAL CA C 47 60.811 60.811 60.082 0.729 18111
3073 1 10 . 1 1 22 22 VAL CB C 47 32.946 32.946 34.496 -1.550 18111
3074 1 10 . 1 1 22 22 VAL H H 47 8.665 8.665 8.174 0.491 18111
3075 1 10 . 1 1 23 23 ILE N N 48 124.228 124.228 123.272 0.956 18111
3076 1 10 . 1 1 23 23 ILE HA H 48 4.606 4.606 4.828 -0.222 18111
3077 1 10 . 1 1 23 23 ILE C C 48 175.732 175.732 175.231 0.501 18111
3078 1 10 . 1 1 23 23 ILE CA C 48 60.730 60.730 60.728 0.002 18111
3079 1 10 . 1 1 23 23 ILE CB C 48 39.745 39.745 38.834 0.911 18111
3080 1 10 . 1 1 23 23 ILE H H 48 9.374 9.374 8.655 0.719 18111
3081 1 10 . 1 1 24 24 THR N N 49 124.978 124.978 120.233 4.745 18111
3082 1 10 . 1 1 24 24 THR HA H 49 4.557 4.557 5.107 -0.550 18111
3083 1 10 . 1 1 24 24 THR C C 49 173.572 173.572 171.521 2.051 18111
3084 1 10 . 1 1 24 24 THR CA C 49 60.893 60.893 57.957 2.936 18111
3085 1 10 . 1 1 24 24 THR CB C 49 69.821 69.821 72.967 -3.146 18111
3086 1 10 . 1 1 24 24 THR H H 49 9.018 9.018 9.179 -0.161 18111
3087 1 10 . 1 1 25 25 PRO HA H 50 4.804 4.804 4.684 0.120 18111
3088 1 10 . 1 1 25 25 PRO C C 50 177.913 177.913 175.613 2.300 18111
3089 1 10 . 1 1 25 25 PRO CA C 50 62.777 62.777 62.108 0.669 18111
3090 1 10 . 1 1 25 25 PRO CB C 50 33.684 33.684 31.438 2.246 18111
3091 1 10 . 1 1 26 26 VAL N N 51 116.090 116.090 119.589 -3.499 18111
3092 1 10 . 1 1 26 26 VAL HA H 51 4.200 4.200 4.233 -0.033 18111
3093 1 10 . 1 1 26 26 VAL C C 51 176.323 176.323 175.182 1.141 18111
3094 1 10 . 1 1 26 26 VAL CA C 51 62.777 62.777 60.105 2.672 18111
3095 1 10 . 1 1 26 26 VAL CB C 51 31.390 31.390 32.510 -1.120 18111
3096 1 10 . 1 1 26 26 VAL H H 51 8.584 8.584 8.115 0.469 18111
3097 1 10 . 1 1 27 27 ASP N N 52 118.508 118.508 127.334 -8.826 18111
3098 1 10 . 1 1 27 27 ASP HA H 52 4.596 4.596 4.768 -0.172 18111
3099 1 10 . 1 1 27 27 ASP C C 52 177.240 177.240 175.019 2.221 18111
3100 1 10 . 1 1 27 27 ASP CA C 52 53.358 53.358 53.267 0.092 18111
3101 1 10 . 1 1 27 27 ASP CB C 52 40.826 40.826 41.306 -0.480 18111
3102 1 10 . 1 1 27 27 ASP H H 52 7.756 7.756 8.596 -0.840 18111
3103 1 10 . 1 1 28 28 GLY N N 53 107.578 107.578 113.358 -5.780 18111
3104 1 10 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.711 -0.112 18111
3105 1 10 . 1 1 28 28 GLY C C 53 174.652 174.652 172.990 1.662 18111
3106 1 10 . 1 1 28 28 GLY CA C 53 45.577 45.577 44.216 1.361 18111
3107 1 10 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.373 1.105 18111
3108 1 10 . 1 1 28 28 GLY H H 53 7.819 7.819 8.229 -0.410 18111
3109 1 10 . 1 1 29 29 SER N N 54 115.662 115.662 113.630 2.032 18111
3110 1 10 . 1 1 29 29 SER HA H 54 4.426 4.426 4.682 -0.256 18111
3111 1 10 . 1 1 29 29 SER C C 54 172.696 172.696 174.257 -1.561 18111
3112 1 10 . 1 1 29 29 SER CA C 54 59.010 59.010 59.091 -0.081 18111
3113 1 10 . 1 1 29 29 SER CB C 54 63.596 63.596 64.109 -0.513 18111
3114 1 10 . 1 1 29 29 SER H H 54 7.827 7.827 8.669 -0.842 18111
3115 1 10 . 1 1 30 30 ASP N N 55 119.004 119.004 120.046 -1.042 18111
3116 1 10 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.547 0.259 18111
3117 1 10 . 1 1 30 30 ASP C C 55 174.102 174.102 176.315 -2.213 18111
3118 1 10 . 1 1 30 30 ASP CA C 55 53.849 53.849 52.840 1.009 18111
3119 1 10 . 1 1 30 30 ASP CB C 55 40.335 40.335 42.963 -2.628 18111
3120 1 10 . 1 1 30 30 ASP H H 55 8.114 8.114 7.802 0.312 18111
3121 1 10 . 1 1 31 31 PRO N N 56 123.263 123.263 124.552 -1.289 18111
3122 1 10 . 1 1 31 31 PRO HA H 56 4.634 4.634 3.627 1.007 18111
3123 1 10 . 1 1 31 31 PRO C C 56 175.692 175.692 178.751 -3.059 18111
3124 1 10 . 1 1 31 31 PRO CA C 56 62.941 62.941 66.569 -3.627 18111
3125 1 10 . 1 1 31 31 PRO CB C 56 32.455 32.455 30.786 1.669 18111
3126 1 10 . 1 1 31 31 PRO H H 56 8.869 8.869 8.852 0.017 18111
3127 1 10 . 1 1 32 32 TYR N N 57 124.973 124.973 117.273 7.700 18111
3128 1 10 . 1 1 32 32 TYR HA H 57 4.587 4.587 4.103 0.484 18111
3129 1 10 . 1 1 32 32 TYR C C 57 173.450 173.450 178.699 -5.249 18111
3130 1 10 . 1 1 32 32 TYR CA C 57 57.863 57.863 62.058 -4.195 18111
3131 1 10 . 1 1 32 32 TYR CB C 57 41.727 41.727 37.832 3.895 18111
3132 1 10 . 1 1 32 32 TYR H H 57 8.639 8.639 8.525 0.114 18111
3133 1 10 . 1 1 33 33 GLU N N 58 124.075 124.075 120.185 3.890 18111
3134 1 10 . 1 1 33 33 GLU HA H 58 5.699 5.699 4.050 1.649 18111
3135 1 10 . 1 1 33 33 GLU C C 58 173.980 173.980 178.210 -4.230 18111
3136 1 10 . 1 1 33 33 GLU CA C 58 53.686 53.686 58.745 -5.059 18111
3137 1 10 . 1 1 33 33 GLU CB C 58 34.257 34.257 29.348 4.909 18111
3138 1 10 . 1 1 33 33 GLU H H 58 6.719 6.719 7.621 -0.902 18111
3139 1 10 . 1 1 34 34 GLU N N 59 115.961 115.961 120.052 -4.091 18111
3140 1 10 . 1 1 34 34 GLU HA H 59 4.917 4.917 3.962 0.955 18111
3141 1 10 . 1 1 34 34 GLU C C 59 174.143 174.143 178.336 -4.193 18111
3142 1 10 . 1 1 34 34 GLU CA C 59 55.488 55.488 59.491 -4.003 18111
3143 1 10 . 1 1 34 34 GLU CB C 59 34.667 34.667 28.600 6.067 18111
3144 1 10 . 1 1 34 34 GLU H H 59 8.854 8.854 7.723 1.131 18111
3145 1 10 . 1 1 35 35 MET N N 60 117.652 117.652 117.326 0.326 18111
3146 1 10 . 1 1 35 35 MET HA H 60 4.973 4.973 4.064 0.909 18111
3147 1 10 . 1 1 35 35 MET C C 60 175.305 175.305 178.314 -3.009 18111
3148 1 10 . 1 1 35 35 MET CA C 60 53.849 53.849 58.351 -4.502 18111
3149 1 10 . 1 1 35 35 MET CB C 60 34.830 34.830 32.132 2.698 18111
3150 1 10 . 1 1 35 35 MET H H 60 8.938 8.938 8.509 0.429 18111
3151 1 10 . 1 1 36 36 ILE N N 61 118.458 118.458 119.634 -1.176 18111
3152 1 10 . 1 1 36 36 ILE HA H 61 4.493 4.493 3.885 0.608 18111
3153 1 10 . 1 1 36 36 ILE C C 61 179.326 179.326 179.209 0.117 18111
3154 1 10 . 1 1 36 36 ILE CA C 61 54.500 54.500 64.470 -9.970 18111
3155 1 10 . 1 1 36 36 ILE CB C 61 32.420 32.420 38.067 -5.647 18111
3156 1 10 . 1 1 36 36 ILE H H 61 8.942 8.942 7.303 1.639 18111
3157 1 10 . 1 1 37 37 PRO N N 62 119.807 119.807 120.541 -0.734 18111
3158 1 10 . 1 1 37 37 PRO HA H 62 4.326 4.326 4.100 0.226 18111
3159 1 10 . 1 1 37 37 PRO C C 62 178.789 178.789 179.846 -1.057 18111
3160 1 10 . 1 1 37 37 PRO CA C 62 63.351 63.351 66.200 -2.849 18111
3161 1 10 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.386 0.831 18111
3162 1 10 . 1 1 37 37 PRO H H 62 8.627 8.627 8.589 0.038 18111
3163 1 10 . 1 1 38 38 LYS N N 63 122.363 122.363 118.915 3.448 18111
3164 1 10 . 1 1 38 38 LYS HA H 63 3.794 3.794 4.188 -0.394 18111
3165 1 10 . 1 1 38 38 LYS C C 63 175.284 175.284 178.118 -2.834 18111
3166 1 10 . 1 1 38 38 LYS CA C 63 58.928 58.928 59.694 -0.765 18111
3167 1 10 . 1 1 38 38 LYS CB C 63 31.882 31.882 31.465 0.416 18111
3168 1 10 . 1 1 38 38 LYS H H 63 8.629 8.629 8.533 0.096 18111
3169 1 10 . 1 1 39 39 TRP N N 64 110.966 110.966 120.199 -9.233 18111
3170 1 10 . 1 1 39 39 TRP HA H 64 4.558 4.558 4.593 -0.035 18111
3171 1 10 . 1 1 39 39 TRP C C 64 177.281 177.281 178.479 -1.198 18111
3172 1 10 . 1 1 39 39 TRP CA C 64 55.979 55.979 59.419 -3.439 18111
3173 1 10 . 1 1 39 39 TRP CB C 64 28.524 28.524 29.781 -1.257 18111
3174 1 10 . 1 1 39 39 TRP H H 64 6.689 6.689 7.481 -0.792 18111
3175 1 10 . 1 1 40 40 ARG N N 65 120.429 120.429 120.061 0.368 18111
3176 1 10 . 1 1 40 40 ARG HA H 65 4.172 4.172 4.067 0.105 18111
3177 1 10 . 1 1 40 40 ARG C C 65 176.059 176.059 178.234 -2.175 18111
3178 1 10 . 1 1 40 40 ARG CA C 65 55.324 55.324 60.319 -4.995 18111
3179 1 10 . 1 1 40 40 ARG CB C 65 28.520 28.520 30.621 -2.101 18111
3180 1 10 . 1 1 40 40 ARG H H 65 6.450 6.450 8.839 -2.389 18111
3181 1 10 . 1 1 41 41 GLN N N 66 125.132 125.132 116.396 8.736 18111
3182 1 10 . 1 1 41 41 GLN HA H 66 4.285 4.285 4.186 0.098 18111
3183 1 10 . 1 1 41 41 GLN C C 66 176.283 176.283 177.051 -0.768 18111
3184 1 10 . 1 1 41 41 GLN CA C 66 55.651 55.651 58.097 -2.446 18111
3185 1 10 . 1 1 41 41 GLN CB C 66 28.933 28.933 29.055 -0.121 18111
3186 1 10 . 1 1 41 41 GLN H H 66 9.430 9.430 8.220 1.210 18111
3187 1 10 . 1 1 42 42 LEU N N 67 127.081 127.081 117.294 9.787 18111
3188 1 10 . 1 1 42 42 LEU HA H 67 4.973 4.973 4.311 0.662 18111
3189 1 10 . 1 1 42 42 LEU C C 67 177.179 177.179 179.349 -2.170 18111
3190 1 10 . 1 1 42 42 LEU CA C 67 53.686 53.686 56.859 -3.173 18111
3191 1 10 . 1 1 42 42 LEU CB C 67 43.939 43.939 43.610 0.329 18111
3192 1 10 . 1 1 42 42 LEU H H 67 8.971 8.971 7.604 1.367 18111
3193 1 10 . 1 1 43 43 ASN N N 68 118.458 118.458 117.908 0.550 18111
3194 1 10 . 1 1 43 43 ASN HA H 68 4.775 4.775 5.341 -0.566 18111
3195 1 10 . 1 1 43 43 ASN C C 68 174.265 174.265 174.879 -0.614 18111
3196 1 10 . 1 1 43 43 ASN CA C 68 52.950 52.950 57.388 -4.438 18111
3197 1 10 . 1 1 43 43 ASN CB C 68 39.499 39.499 36.526 2.973 18111
3198 1 10 . 1 1 43 43 ASN H H 68 8.898 8.898 8.763 0.135 18111
3199 1 10 . 1 1 44 44 VAL HA H 69 4.813 4.813 4.060 0.753 18111
3200 1 10 . 1 1 44 44 VAL C C 69 173.389 173.389 175.473 -2.084 18111
3201 1 10 . 1 1 44 44 VAL CA C 69 58.272 58.272 63.564 -5.292 18111
3202 1 10 . 1 1 44 44 VAL CB C 69 34.912 34.912 30.876 4.036 18111
3203 1 10 . 1 1 45 45 PHE N N 70 118.947 118.947 117.091 1.856 18111
3204 1 10 . 1 1 45 45 PHE HA H 70 4.898 4.898 4.705 0.193 18111
3205 1 10 . 1 1 45 45 PHE C C 70 174.591 174.591 175.988 -1.397 18111
3206 1 10 . 1 1 45 45 PHE CA C 70 55.569 55.569 57.782 -2.213 18111
3207 1 10 . 1 1 45 45 PHE CB C 70 41.727 41.727 39.332 2.395 18111
3208 1 10 . 1 1 45 45 PHE H H 70 8.261 8.261 7.797 0.464 18111
3209 1 10 . 1 1 46 46 GLU N N 71 119.246 119.246 117.759 1.487 18111
3210 1 10 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.820 -0.045 18111
3211 1 10 . 1 1 46 46 GLU C C 71 177.200 177.200 174.868 2.332 18111
3212 1 10 . 1 1 46 46 GLU CA C 71 58.424 58.424 56.129 2.295 18111
3213 1 10 . 1 1 46 46 GLU H H 71 8.706 8.706 7.818 0.888 18111
3214 1 10 . 1 1 47 47 GLY N N 72 114.762 114.762 107.414 7.348 18111
3215 1 10 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.809 0.115 18111
3216 1 10 . 1 1 47 47 GLY C C 72 174.204 174.204 172.698 1.506 18111
3217 1 10 . 1 1 47 47 GLY CA C 72 44.922 44.922 43.704 1.218 18111
3218 1 10 . 1 1 47 47 GLY CB C 72 42.000 42.000 42.425 -0.424 18111
3219 1 10 . 1 1 47 47 GLY H H 72 9.345 9.345 7.514 1.831 18111
3220 1 10 . 1 1 48 48 GLU N N 73 121.519 121.519 121.656 -0.137 18111
3221 1 10 . 1 1 48 48 GLU HA H 73 4.190 4.190 4.881 -0.691 18111
3222 1 10 . 1 1 48 48 GLU C C 73 174.836 174.836 174.888 -0.052 18111
3223 1 10 . 1 1 48 48 GLU CA C 73 56.880 56.880 53.906 2.974 18111
3224 1 10 . 1 1 48 48 GLU CB C 73 30.899 30.899 33.256 -2.357 18111
3225 1 10 . 1 1 48 48 GLU H H 73 7.866 7.866 8.803 -0.937 18111
3226 1 10 . 1 1 49 49 ARG N N 74 122.680 122.680 123.197 -0.517 18111
3227 1 10 . 1 1 49 49 ARG HA H 74 4.870 4.870 4.246 0.624 18111
3228 1 10 . 1 1 49 49 ARG C C 74 176.222 176.222 176.161 0.061 18111
3229 1 10 . 1 1 49 49 ARG CA C 74 55.488 55.488 56.496 -1.008 18111
3230 1 10 . 1 1 49 49 ARG CB C 74 31.145 31.145 30.296 0.849 18111
3231 1 10 . 1 1 49 49 ARG H H 74 8.446 8.446 8.963 -0.517 18111
3232 1 10 . 1 1 50 50 VAL N N 75 118.810 118.810 127.208 -8.398 18111
3233 1 10 . 1 1 50 50 VAL HA H 75 4.738 4.738 4.128 0.610 18111
3234 1 10 . 1 1 50 50 VAL C C 75 174.877 174.877 176.345 -1.468 18111
3235 1 10 . 1 1 50 50 VAL CA C 75 58.846 58.846 63.842 -4.995 18111
3236 1 10 . 1 1 50 50 VAL CB C 75 35.076 35.076 32.663 2.413 18111
3237 1 10 . 1 1 50 50 VAL H H 75 9.151 9.151 8.858 0.293 18111
3238 1 10 . 1 1 51 51 GLU N N 76 123.487 123.487 118.919 4.568 18111
3239 1 10 . 1 1 51 51 GLU HA H 76 4.615 4.615 4.680 -0.065 18111
3240 1 10 . 1 1 51 51 GLU C C 76 175.631 175.631 174.172 1.459 18111
3241 1 10 . 1 1 51 51 GLU CA C 76 53.112 53.112 56.007 -2.895 18111
3242 1 10 . 1 1 51 51 GLU CB C 76 31.390 31.390 34.348 -2.958 18111
3243 1 10 . 1 1 51 51 GLU H H 76 8.787 8.787 7.704 1.083 18111
3244 1 10 . 1 1 52 52 ARG N N 77 122.407 122.407 116.851 5.556 18111
3245 1 10 . 1 1 52 52 ARG HA H 77 3.351 3.351 5.441 -2.090 18111
3246 1 10 . 1 1 52 52 ARG C C 77 177.220 177.220 175.061 2.159 18111
3247 1 10 . 1 1 52 52 ARG CA C 77 57.693 57.693 53.482 4.211 18111
3248 1 10 . 1 1 52 52 ARG CB C 77 29.342 29.342 34.444 -5.102 18111
3249 1 10 . 1 1 52 52 ARG H H 77 8.160 8.160 8.482 -0.322 18111
3250 1 10 . 1 1 53 53 GLY N N 78 116.273 116.273 111.024 5.249 18111
3251 1 10 . 1 1 53 53 GLY C C 78 173.715 173.715 172.519 1.196 18111
3252 1 10 . 1 1 53 53 GLY CA C 78 44.840 44.840 42.058 2.782 18111
3253 1 10 . 1 1 53 53 GLY CB C 78 31.660 31.660 31.994 -0.334 18111
3254 1 10 . 1 1 53 53 GLY H H 78 9.194 9.194 9.102 0.092 18111
3255 1 10 . 1 1 54 54 ASP HA H 79 4.540 4.540 5.157 -0.617 18111
3256 1 10 . 1 1 54 54 ASP C C 79 176.099 176.099 175.752 0.347 18111
3257 1 10 . 1 1 54 54 ASP CA C 79 54.669 54.669 53.259 1.410 18111
3258 1 10 . 1 1 54 54 ASP CB C 79 40.826 40.826 41.619 -0.793 18111
3259 1 10 . 1 1 55 55 VAL N N 80 120.501 120.501 127.247 -6.746 18111
3260 1 10 . 1 1 55 55 VAL HA H 80 3.800 3.800 4.139 -0.340 18111
3261 1 10 . 1 1 55 55 VAL C C 80 175.957 175.957 176.267 -0.310 18111
3262 1 10 . 1 1 55 55 VAL CA C 80 64.255 64.255 62.631 1.624 18111
3263 1 10 . 1 1 55 55 VAL CB C 80 31.533 31.533 29.487 2.046 18111
3264 1 10 . 1 1 55 55 VAL H H 80 8.658 8.658 8.217 0.441 18111
3265 1 10 . 1 1 56 56 ILE N N 81 128.523 128.523 124.959 3.564 18111
3266 1 10 . 1 1 56 56 ILE HA H 81 4.228 4.228 4.238 -0.010 18111
3267 1 10 . 1 1 56 56 ILE C C 81 175.957 175.957 176.316 -0.359 18111
3268 1 10 . 1 1 56 56 ILE CA C 81 61.785 61.785 62.933 -1.148 18111
3269 1 10 . 1 1 56 56 ILE CB C 81 37.300 37.300 38.760 -1.460 18111
3270 1 10 . 1 1 56 56 ILE H H 81 8.905 8.905 7.950 0.955 18111
3271 1 10 . 1 1 57 57 SER N N 82 112.225 112.225 115.282 -3.057 18111
3272 1 10 . 1 1 57 57 SER HA H 82 4.851 4.851 4.885 -0.034 18111
3273 1 10 . 1 1 57 57 SER C C 82 173.959 173.959 172.730 1.229 18111
3274 1 10 . 1 1 57 57 SER CA C 82 57.289 57.289 57.591 -0.302 18111
3275 1 10 . 1 1 57 57 SER CB C 82 64.825 64.825 62.977 1.848 18111
3276 1 10 . 1 1 57 57 SER H H 82 7.671 7.671 8.243 -0.572 18111
3277 1 10 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.724 -0.203 18111
3278 1 10 . 1 1 58 58 ASP C C 83 175.427 175.427 175.548 -0.121 18111
3279 1 10 . 1 1 58 58 ASP CA C 83 55.078 55.078 54.818 0.260 18111
3280 1 10 . 1 1 58 58 ASP CB C 83 41.727 41.727 41.018 0.709 18111
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 102 4.651 -0.181 4.670 18111
2 1 1 "Average Difference" HA 116 0.498 -0.072 0.495 18111
3 1 1 "Average Difference" C 100 1.654 0.149 1.655 18111
4 1 1 "Average Difference" CA 113 2.275 0.490 2.231 18111
5 1 1 "Average Difference" CB 100 1.936 -0.195 1.936 18111
6 1 1 "Average Difference" HN 102 0.743 -0.077 0.743 18111
7 1 2 "Average Difference" N 102 4.724 0.305 4.737 18111
8 1 2 "Average Difference" HA 116 0.500 -0.081 0.495 18111
9 1 2 "Average Difference" C 100 1.585 0.144 1.587 18111
10 1 2 "Average Difference" CA 113 2.168 0.441 2.132 18111
11 1 2 "Average Difference" CB 100 1.955 -0.159 1.958 18111
12 1 2 "Average Difference" HN 102 0.705 -0.150 0.692 18111
13 1 3 "Average Difference" N 102 4.351 -0.046 4.372 18111
14 1 3 "Average Difference" HA 116 0.514 -0.062 0.512 18111
15 1 3 "Average Difference" C 100 1.655 0.130 1.658 18111
16 1 3 "Average Difference" CA 113 2.267 0.388 2.243 18111
17 1 3 "Average Difference" CB 100 2.034 -0.204 2.034 18111
18 1 3 "Average Difference" HN 102 0.729 -0.110 0.724 18111
19 1 4 "Average Difference" N 102 4.406 -0.129 4.426 18111
20 1 4 "Average Difference" HA 116 0.489 -0.060 0.487 18111
21 1 4 "Average Difference" C 100 1.565 0.187 1.561 18111
22 1 4 "Average Difference" CA 113 2.189 0.360 2.169 18111
23 1 4 "Average Difference" CB 100 1.989 -0.408 1.956 18111
24 1 4 "Average Difference" HN 102 0.711 -0.135 0.701 18111
25 1 5 "Average Difference" N 102 4.652 0.174 4.672 18111
26 1 5 "Average Difference" HA 116 0.483 -0.069 0.481 18111
27 1 5 "Average Difference" C 100 1.540 0.168 1.538 18111
28 1 5 "Average Difference" CA 113 2.214 0.327 2.200 18111
29 1 5 "Average Difference" CB 100 1.876 -0.152 1.880 18111
30 1 5 "Average Difference" HN 102 0.675 -0.083 0.673 18111
31 1 6 "Average Difference" N 102 4.490 0.271 4.504 18111
32 1 6 "Average Difference" HA 116 0.495 -0.088 0.489 18111
33 1 6 "Average Difference" C 100 1.549 0.148 1.550 18111
34 1 6 "Average Difference" CA 113 2.139 0.254 2.133 18111
35 1 6 "Average Difference" CB 100 1.972 -0.464 1.926 18111
36 1 6 "Average Difference" HN 102 0.708 -0.204 0.681 18111
37 1 7 "Average Difference" N 102 4.705 0.079 4.728 18111
38 1 7 "Average Difference" HA 116 0.487 -0.069 0.484 18111
39 1 7 "Average Difference" C 100 1.661 0.163 1.661 18111
40 1 7 "Average Difference" CA 113 2.163 0.446 2.126 18111
41 1 7 "Average Difference" CB 100 2.010 -0.251 2.004 18111
42 1 7 "Average Difference" HN 102 0.703 -0.125 0.695 18111
43 1 8 "Average Difference" N 102 4.671 -0.247 4.688 18111
44 1 8 "Average Difference" HA 116 0.507 -0.039 0.508 18111
45 1 8 "Average Difference" C 100 1.600 0.101 1.605 18111
46 1 8 "Average Difference" CA 113 2.208 0.323 2.194 18111
47 1 8 "Average Difference" CB 100 2.012 -0.142 2.018 18111
48 1 8 "Average Difference" HN 102 0.750 -0.182 0.731 18111
49 1 9 "Average Difference" N 102 4.658 0.104 4.680 18111
50 1 9 "Average Difference" HA 116 0.464 -0.020 0.466 18111
51 1 9 "Average Difference" C 100 1.636 0.234 1.627 18111
52 1 9 "Average Difference" CA 113 2.220 0.332 2.204 18111
53 1 9 "Average Difference" CB 100 1.970 -0.284 1.959 18111
54 1 9 "Average Difference" HN 102 0.721 -0.079 0.720 18111
55 1 10 "Average Difference" N 102 4.618 0.138 4.639 18111
56 1 10 "Average Difference" HA 116 0.488 -0.049 0.487 18111
57 1 10 "Average Difference" C 100 1.598 0.155 1.599 18111
58 1 10 "Average Difference" CA 113 2.191 0.377 2.168 18111
59 1 10 "Average Difference" CB 100 1.984 -0.249 1.978 18111
60 1 10 "Average Difference" HN 102 0.704 -0.147 0.692 18111
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 18111
_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 LEU N N 27 239.643 239.643 236.466 3.177 18111
2 1 . 1 1 2 2 LEU HA H 27 5.058 5.058 4.301 0.757 18111
3 1 . 1 1 2 2 LEU C C 27 351.845 351.845 349.415 2.430 18111
4 1 . 1 1 2 2 LEU CA C 27 98.114 98.114 100.378 -2.264 18111
5 1 . 1 1 2 2 LEU H H 27 17.091 17.091 16.492 0.599 18111
6 1 . 1 1 3 3 ALA N N 28 239.681 239.681 239.415 0.266 18111
7 1 . 1 1 3 3 ALA HA H 28 8.481 8.481 8.936 -0.455 18111
8 1 . 1 1 3 3 ALA C C 28 353.827 353.827 350.603 3.224 18111
9 1 . 1 1 3 3 ALA CA C 28 110.727 110.727 109.896 0.831 18111
10 1 . 1 1 3 3 ALA CB C 28 82.125 82.125 84.752 -2.627 18111
11 1 . 1 1 3 3 ALA H H 28 17.359 17.359 15.913 1.446 18111
12 1 . 1 1 4 4 GLU N N 29 250.209 250.209 242.376 7.833 18111
13 1 . 1 1 4 4 GLU HA H 29 8.331 8.331 8.993 -0.662 18111
14 1 . 1 1 4 4 GLU C C 29 352.761 352.761 352.685 0.076 18111
15 1 . 1 1 4 4 GLU CA C 29 112.723 112.723 110.761 1.962 18111
16 1 . 1 1 4 4 GLU CB C 29 72.355 72.355 72.378 -0.023 18111
17 1 . 1 1 4 4 GLU H H 29 16.560 16.560 16.318 0.242 18111
18 1 . 1 1 5 5 ILE N N 30 223.638 223.638 241.867 -18.229 18111
19 1 . 1 1 5 5 ILE HA H 30 8.880 8.880 8.698 0.182 18111
20 1 . 1 1 5 5 ILE C C 30 347.620 347.620 349.254 -1.634 18111
21 1 . 1 1 5 5 ILE CA C 30 116.870 116.870 120.562 -3.692 18111
22 1 . 1 1 5 5 ILE CB C 30 106.795 106.795 102.965 3.830 18111
23 1 . 1 1 5 5 ILE H H 30 14.912 14.912 16.625 -1.713 18111
24 1 . 1 1 6 6 SER N N 31 234.063 234.063 233.476 0.587 18111
25 1 . 1 1 6 6 SER HA H 31 8.925 8.925 8.642 0.283 18111
26 1 . 1 1 6 6 SER C C 31 350.358 350.358 347.496 2.862 18111
27 1 . 1 1 6 6 SER CA C 31 118.836 118.836 119.527 -0.691 18111
28 1 . 1 1 6 6 SER CB C 31 96.722 96.722 98.991 -2.269 18111
29 1 . 1 1 6 6 SER H H 31 16.005 16.005 16.011 -0.006 18111
30 1 . 1 1 7 7 GLY N N 32 233.157 233.157 231.535 1.622 18111
31 1 . 1 1 7 7 GLY HA H 32 4.598 4.598 4.740 -0.142 18111
32 1 . 1 1 7 7 GLY C C 32 346.079 346.079 350.587 -4.508 18111
33 1 . 1 1 7 7 GLY CA C 32 99.916 99.916 99.056 0.860 18111
34 1 . 1 1 7 7 GLY CB C 32 40.988 40.988 40.177 0.811 18111
35 1 . 1 1 7 7 GLY H H 32 16.937 16.937 16.693 0.244 18111
36 1 . 1 1 8 8 ILE N N 33 239.301 239.301 235.703 3.598 18111
37 1 . 1 1 8 8 ILE HA H 33 9.247 9.247 8.382 0.865 18111
38 1 . 1 1 8 8 ILE C C 33 352.274 352.274 352.014 0.260 18111
39 1 . 1 1 8 8 ILE CA C 33 112.776 112.776 117.006 -4.230 18111
40 1 . 1 1 8 8 ILE CB C 33 78.087 78.087 77.334 0.753 18111
41 1 . 1 1 8 8 ILE H H 33 16.406 16.406 16.804 -0.398 18111
42 1 . 1 1 9 9 VAL N N 34 253.587 253.587 238.465 15.122 18111
43 1 . 1 1 9 9 VAL HA H 34 9.141 9.141 8.610 0.531 18111
44 1 . 1 1 9 9 VAL C C 34 348.765 348.765 348.682 0.083 18111
45 1 . 1 1 9 9 VAL CA C 34 118.523 118.523 115.148 3.375 18111
46 1 . 1 1 9 9 VAL CB C 34 66.842 66.842 68.428 -1.586 18111
47 1 . 1 1 9 9 VAL H H 34 17.426 17.426 15.329 2.097 18111
48 1 . 1 1 10 10 SER N N 35 242.761 242.761 236.318 6.443 18111
49 1 . 1 1 10 10 SER HA H 35 8.430 8.430 8.500 -0.070 18111
50 1 . 1 1 10 10 SER C C 35 344.805 344.805 346.428 -1.623 18111
51 1 . 1 1 10 10 SER CA C 35 113.676 113.676 112.267 1.409 18111
52 1 . 1 1 10 10 SER CB C 35 100.325 100.325 98.262 2.063 18111
53 1 . 1 1 10 10 SER H H 35 17.426 17.426 15.843 1.583 18111
54 1 . 1 1 11 11 PHE N N 36 239.811 239.811 242.792 -2.981 18111
55 1 . 1 1 11 11 PHE HA H 36 10.482 10.482 9.611 0.871 18111
56 1 . 1 1 11 11 PHE C C 36 351.426 351.426 348.633 2.793 18111
57 1 . 1 1 11 11 PHE CA C 36 111.757 111.757 112.097 -0.340 18111
58 1 . 1 1 11 11 PHE CB C 36 82.880 82.880 83.499 -0.619 18111
59 1 . 1 1 11 11 PHE H H 36 17.465 17.465 15.727 1.738 18111
60 1 . 1 1 12 12 GLY N N 37 228.791 228.791 234.552 -5.761 18111
61 1 . 1 1 12 12 GLY HA H 37 5.473 5.473 4.935 0.538 18111
62 1 . 1 1 12 12 GLY C C 37 350.796 350.796 348.904 1.892 18111
63 1 . 1 1 12 12 GLY CA C 37 98.687 98.687 100.064 -1.377 18111
64 1 . 1 1 12 12 GLY CB C 37 32.225 32.225 30.800 1.425 18111
65 1 . 1 1 12 12 GLY H H 37 18.697 18.697 17.563 1.134 18111
66 1 . 1 1 13 13 LYS N N 38 252.328 252.328 254.295 -1.967 18111
67 1 . 1 1 13 13 LYS HA H 38 9.773 9.773 10.182 -0.409 18111
68 1 . 1 1 13 13 LYS C C 38 352.077 352.077 351.724 0.353 18111
69 1 . 1 1 13 13 LYS CA C 38 107.287 107.287 105.640 1.647 18111
70 1 . 1 1 13 13 LYS CB C 38 53.460 53.460 54.907 -1.447 18111
71 1 . 1 1 13 13 LYS H H 38 18.508 18.508 18.490 0.018 18111
72 1 . 1 1 14 14 GLU N N 39 248.187 248.187 250.747 -2.560 18111
73 1 . 1 1 14 14 GLU HA H 39 4.568 4.568 4.847 -0.279 18111
74 1 . 1 1 14 14 GLU C C 39 177.118 177.118 175.699 1.419 18111
75 1 . 1 1 14 14 GLU CA C 39 119.718 119.718 118.061 1.657 18111
76 1 . 1 1 14 14 GLU CB C 39 99.071 99.071 98.570 0.501 18111
77 1 . 1 1 14 14 GLU H H 39 17.852 17.852 17.485 0.366 18111
78 1 . 1 1 15 15 THR N N 40 241.983 241.983 244.837 -2.854 18111
79 1 . 1 1 15 15 THR HA H 40 9.539 9.539 9.193 0.346 18111
80 1 . 1 1 15 15 THR C C 40 347.709 347.709 345.638 2.071 18111
81 1 . 1 1 15 15 THR CA C 40 120.310 120.310 119.413 0.897 18111
82 1 . 1 1 15 15 THR CB C 40 103.930 103.930 104.378 -0.448 18111
83 1 . 1 1 15 15 THR H H 40 17.093 17.093 18.032 -0.939 18111
84 1 . 1 1 16 16 LYS N N 41 120.682 120.682 124.991 -4.309 18111
85 1 . 1 1 16 16 LYS HA H 41 10.179 10.179 9.290 0.889 18111
86 1 . 1 1 16 16 LYS C C 41 176.162 176.162 175.370 0.792 18111
87 1 . 1 1 16 16 LYS CA C 41 109.714 109.714 109.182 0.532 18111
88 1 . 1 1 16 16 LYS CB C 41 75.513 75.513 67.543 7.970 18111
89 1 . 1 1 16 16 LYS H H 41 9.220 9.220 8.830 0.390 18111
90 1 . 1 1 17 17 GLY N N 42 235.922 235.922 237.165 -1.243 18111
91 1 . 1 1 17 17 GLY CA C 42 102.864 102.864 101.072 1.792 18111
92 1 . 1 1 17 17 GLY H H 42 17.168 17.168 16.984 0.184 18111
93 1 . 1 1 18 18 LYS N N 43 121.239 121.239 120.296 0.943 18111
94 1 . 1 1 18 18 LYS HA H 43 8.927 8.927 8.495 0.432 18111
95 1 . 1 1 18 18 LYS C C 43 175.095 175.095 175.183 -0.088 18111
96 1 . 1 1 18 18 LYS CA C 43 115.641 115.641 119.172 -3.531 18111
97 1 . 1 1 18 18 LYS CB C 43 97.604 97.604 95.504 2.100 18111
98 1 . 1 1 18 18 LYS H H 43 8.323 8.323 8.522 -0.199 18111
99 1 . 1 1 19 19 ARG N N 44 235.177 235.177 239.350 -4.173 18111
100 1 . 1 1 19 19 ARG HA H 44 8.836 8.836 8.677 0.159 18111
101 1 . 1 1 19 19 ARG C C 44 349.710 349.710 352.063 -2.353 18111
102 1 . 1 1 19 19 ARG CA C 44 111.546 111.546 113.802 -2.256 18111
103 1 . 1 1 19 19 ARG CB C 44 64.762 64.762 62.297 2.465 18111
104 1 . 1 1 19 19 ARG H H 44 16.985 16.985 16.069 0.916 18111
105 1 . 1 1 20 20 ARG N N 45 242.961 242.961 235.411 7.550 18111
106 1 . 1 1 20 20 ARG HA H 45 10.120 10.120 9.376 0.744 18111
107 1 . 1 1 20 20 ARG C C 45 348.484 348.484 348.299 0.185 18111
108 1 . 1 1 20 20 ARG CA C 45 109.416 109.416 111.028 -1.612 18111
109 1 . 1 1 20 20 ARG CB C 45 66.816 66.816 64.912 1.904 18111
110 1 . 1 1 20 20 ARG H H 45 16.534 16.534 16.200 0.334 18111
111 1 . 1 1 21 21 LEU N N 46 245.869 245.869 241.691 4.178 18111
112 1 . 1 1 21 21 LEU HA H 46 9.883 9.883 10.211 -0.328 18111
113 1 . 1 1 21 21 LEU C C 46 346.610 346.610 349.244 -2.634 18111
114 1 . 1 1 21 21 LEU CA C 46 112.611 112.611 111.661 0.950 18111
115 1 . 1 1 21 21 LEU CB C 46 109.170 109.170 108.168 1.002 18111
116 1 . 1 1 21 21 LEU H H 46 17.091 17.091 16.883 0.208 18111
117 1 . 1 1 22 22 VAL N N 47 248.847 248.847 240.120 8.727 18111
118 1 . 1 1 22 22 VAL HA H 47 9.936 9.936 9.626 0.310 18111
119 1 . 1 1 22 22 VAL C C 47 348.134 348.134 346.961 1.173 18111
120 1 . 1 1 22 22 VAL CA C 47 117.115 117.115 116.809 0.307 18111
121 1 . 1 1 22 22 VAL CB C 47 73.525 73.525 76.371 -2.846 18111
122 1 . 1 1 22 22 VAL H H 47 17.456 17.456 17.177 0.279 18111
123 1 . 1 1 23 23 ILE N N 48 242.819 242.819 243.727 -0.908 18111
124 1 . 1 1 23 23 ILE HA H 48 10.170 10.170 9.732 0.438 18111
125 1 . 1 1 23 23 ILE C C 48 352.343 352.343 350.161 2.182 18111
126 1 . 1 1 23 23 ILE CA C 48 115.724 115.724 115.377 0.347 18111
127 1 . 1 1 23 23 ILE CB C 48 72.707 72.707 71.133 1.574 18111
128 1 . 1 1 23 23 ILE H H 48 17.856 17.856 17.415 0.441 18111
129 1 . 1 1 24 24 THR N N 49 243.485 243.485 244.146 -0.661 18111
130 1 . 1 1 24 24 THR HA H 49 9.744 9.744 9.963 -0.219 18111
131 1 . 1 1 24 24 THR C C 49 173.572 173.572 171.865 1.707 18111
132 1 . 1 1 24 24 THR CA C 49 118.426 118.426 116.289 2.137 18111
133 1 . 1 1 24 24 THR CB C 49 103.864 103.864 108.108 -4.244 18111
134 1 . 1 1 24 24 THR H H 49 18.359 18.359 18.037 0.322 18111
135 1 . 1 1 25 25 PRO HA H 50 9.649 9.649 9.532 0.117 18111
136 1 . 1 1 25 25 PRO C C 50 354.000 354.000 351.712 2.288 18111
137 1 . 1 1 25 25 PRO CA C 50 124.487 124.487 124.355 0.132 18111
138 1 . 1 1 25 25 PRO CB C 50 65.745 65.745 63.389 2.356 18111
139 1 . 1 1 26 26 VAL N N 51 239.406 239.406 241.971 -2.565 18111
140 1 . 1 1 26 26 VAL HA H 51 8.582 8.582 8.601 -0.019 18111
141 1 . 1 1 26 26 VAL C C 51 350.557 350.557 350.281 0.276 18111
142 1 . 1 1 26 26 VAL CA C 51 120.965 120.965 119.506 1.459 18111
143 1 . 1 1 26 26 VAL CB C 51 71.969 71.969 72.305 -0.336 18111
144 1 . 1 1 26 26 VAL H H 51 17.385 17.385 16.937 0.448 18111
145 1 . 1 1 27 27 ASP N N 52 244.864 244.864 252.330 -7.466 18111
146 1 . 1 1 27 27 ASP HA H 52 10.067 10.067 9.666 0.401 18111
147 1 . 1 1 27 27 ASP C C 52 352.185 352.185 349.615 2.570 18111
148 1 . 1 1 27 27 ASP CA C 52 110.226 110.226 110.233 -0.007 18111
149 1 . 1 1 27 27 ASP CB C 52 79.685 79.685 80.562 -0.877 18111
150 1 . 1 1 27 27 ASP H H 52 16.245 16.245 17.550 -1.305 18111
151 1 . 1 1 28 28 GLY N N 53 231.582 231.582 239.129 -7.547 18111
152 1 . 1 1 28 28 GLY HA H 53 4.599 4.599 4.763 -0.164 18111
153 1 . 1 1 28 28 GLY C C 53 350.926 350.926 349.420 1.506 18111
154 1 . 1 1 28 28 GLY CA C 53 97.049 97.049 95.256 1.793 18111
155 1 . 1 1 28 28 GLY CB C 53 22.478 22.478 21.559 0.919 18111
156 1 . 1 1 28 28 GLY H H 53 16.688 16.688 16.712 -0.024 18111
157 1 . 1 1 29 29 SER N N 54 232.824 232.824 231.858 0.966 18111
158 1 . 1 1 29 29 SER HA H 54 8.919 8.919 8.915 0.004 18111
159 1 . 1 1 29 29 SER C C 54 350.094 350.094 351.329 -1.235 18111
160 1 . 1 1 29 29 SER CA C 54 118.017 118.017 118.084 -0.067 18111
161 1 . 1 1 29 29 SER CB C 54 94.838 94.838 94.616 0.222 18111
162 1 . 1 1 29 29 SER H H 54 16.941 16.941 17.604 -0.663 18111
163 1 . 1 1 30 30 ASP N N 55 221.850 221.850 231.276 -9.426 18111
164 1 . 1 1 30 30 ASP HA H 55 4.806 4.806 4.618 0.188 18111
165 1 . 1 1 30 30 ASP C C 55 347.456 347.456 351.214 -3.758 18111
166 1 . 1 1 30 30 ASP CA C 55 112.446 112.446 112.962 -0.516 18111
167 1 . 1 1 30 30 ASP CB C 55 114.248 114.248 114.938 -0.690 18111
168 1 . 1 1 30 30 ASP H H 55 15.077 15.077 15.500 -0.423 18111
169 1 . 1 1 31 31 PRO N N 56 123.263 123.263 124.381 -1.119 18111
170 1 . 1 1 31 31 PRO HA H 56 7.646 7.646 7.489 0.157 18111
171 1 . 1 1 31 31 PRO C C 56 352.828 352.828 356.916 -4.088 18111
172 1 . 1 1 31 31 PRO CA C 56 120.310 120.310 125.389 -5.079 18111
173 1 . 1 1 31 31 PRO CB C 56 74.836 74.836 72.002 2.834 18111
174 1 . 1 1 31 31 PRO H H 56 8.869 8.869 8.727 0.142 18111
175 1 . 1 1 32 32 TYR N N 57 239.918 239.918 235.248 4.670 18111
176 1 . 1 1 32 32 TYR HA H 57 8.525 8.525 8.373 0.152 18111
177 1 . 1 1 32 32 TYR C C 57 173.450 173.450 178.065 -4.615 18111
178 1 . 1 1 32 32 TYR CA C 57 115.232 115.232 119.329 -4.097 18111
179 1 . 1 1 32 32 TYR CB C 57 82.442 82.442 78.038 4.404 18111
180 1 . 1 1 32 32 TYR H H 57 16.572 16.572 16.910 -0.338 18111
181 1 . 1 1 33 33 GLU N N 58 244.504 244.504 240.015 4.489 18111
182 1 . 1 1 33 33 GLU HA H 58 9.657 9.657 8.134 1.523 18111
183 1 . 1 1 33 33 GLU C C 58 351.490 351.490 356.557 -5.067 18111
184 1 . 1 1 33 33 GLU CA C 58 112.283 112.283 118.001 -5.718 18111
185 1 . 1 1 33 33 GLU CB C 58 64.516 64.516 58.697 5.819 18111
186 1 . 1 1 33 33 GLU H H 58 14.466 14.466 15.810 -1.344 18111
187 1 . 1 1 34 34 GLU N N 59 238.089 238.089 242.040 -3.951 18111
188 1 . 1 1 34 34 GLU HA H 59 8.542 8.542 7.793 0.749 18111
189 1 . 1 1 34 34 GLU C C 59 352.982 352.982 357.388 -4.406 18111
190 1 . 1 1 34 34 GLU CA C 59 110.482 110.482 114.453 -3.971 18111
191 1 . 1 1 34 34 GLU CB C 59 51.822 51.822 46.297 5.525 18111
192 1 . 1 1 34 34 GLU H H 59 16.744 16.744 15.778 0.966 18111
193 1 . 1 1 35 35 MET N N 60 234.006 234.006 237.217 -3.211 18111
194 1 . 1 1 35 35 MET HA H 60 8.921 8.921 7.904 1.017 18111
195 1 . 1 1 35 35 MET C C 60 352.628 352.628 356.925 -4.297 18111
196 1 . 1 1 35 35 MET CA C 60 112.365 112.365 116.395 -4.030 18111
197 1 . 1 1 35 35 MET CB C 60 75.655 75.655 73.705 1.950 18111
198 1 . 1 1 35 35 MET H H 60 16.676 16.676 16.465 0.211 18111
199 1 . 1 1 36 36 ILE N N 61 236.725 236.725 238.366 -1.641 18111
200 1 . 1 1 36 36 ILE HA H 61 8.500 8.500 7.854 0.646 18111
201 1 . 1 1 36 36 ILE C C 61 179.326 179.326 179.244 0.082 18111
202 1 . 1 1 36 36 ILE CA C 61 114.408 114.408 124.000 -9.592 18111
203 1 . 1 1 36 36 ILE CB C 61 62.024 62.024 67.330 -5.306 18111
204 1 . 1 1 36 36 ILE H H 61 16.399 16.399 15.431 0.968 18111
205 1 . 1 1 37 37 PRO N N 62 119.807 119.807 120.330 -0.523 18111
206 1 . 1 1 37 37 PRO HA H 62 8.517 8.517 8.276 0.241 18111
207 1 . 1 1 37 37 PRO C C 62 358.807 358.807 359.393 -0.586 18111
208 1 . 1 1 37 37 PRO CA C 62 121.375 121.375 123.733 -2.358 18111
209 1 . 1 1 37 37 PRO CB C 62 42.217 42.217 41.503 0.714 18111
210 1 . 1 1 37 37 PRO H H 62 8.627 8.627 8.238 0.389 18111
211 1 . 1 1 38 38 LYS N N 63 243.979 243.979 240.231 3.748 18111
212 1 . 1 1 38 38 LYS HA H 63 8.018 8.018 7.988 0.030 18111
213 1 . 1 1 38 38 LYS C C 63 355.134 355.134 356.929 -1.795 18111
214 1 . 1 1 38 38 LYS CA C 63 114.659 114.659 114.698 -0.039 18111
215 1 . 1 1 38 38 LYS CB C 63 50.102 50.102 49.569 0.533 18111
216 1 . 1 1 38 38 LYS H H 63 17.129 17.129 16.902 0.227 18111
217 1 . 1 1 39 39 TRP N N 64 228.172 228.172 238.589 -10.417 18111
218 1 . 1 1 39 39 TRP HA H 64 8.652 8.652 8.792 -0.140 18111
219 1 . 1 1 39 39 TRP C C 64 356.476 356.476 356.741 -0.265 18111
220 1 . 1 1 39 39 TRP CA C 64 116.870 116.870 118.204 -1.334 18111
221 1 . 1 1 39 39 TRP CB C 64 58.128 58.128 60.229 -2.101 18111
222 1 . 1 1 39 39 TRP H H 64 15.466 15.466 14.988 0.478 18111
223 1 . 1 1 40 40 ARG N N 65 240.295 240.295 240.143 0.152 18111
224 1 . 1 1 40 40 ARG HA H 65 8.524 8.524 8.575 -0.051 18111
225 1 . 1 1 40 40 ARG C C 65 353.400 353.400 356.904 -3.504 18111
226 1 . 1 1 40 40 ARG CA C 65 115.396 115.396 121.077 -5.681 18111
227 1 . 1 1 40 40 ARG CB C 65 57.469 57.469 60.589 -3.120 18111
228 1 . 1 1 40 40 ARG H H 65 15.023 15.023 17.375 -2.352 18111
229 1 . 1 1 41 41 GLN N N 66 238.293 238.293 234.527 3.766 18111
230 1 . 1 1 41 41 GLN HA H 66 8.105 8.105 8.496 -0.391 18111
231 1 . 1 1 41 41 GLN C C 66 354.280 354.280 353.836 0.444 18111
232 1 . 1 1 41 41 GLN CA C 66 113.757 113.757 116.126 -2.369 18111
233 1 . 1 1 41 41 GLN CB C 66 58.783 58.783 58.231 0.552 18111
234 1 . 1 1 41 41 GLN H H 66 17.156 17.156 16.634 0.522 18111
235 1 . 1 1 42 42 LEU N N 67 240.847 240.847 234.956 5.891 18111
236 1 . 1 1 42 42 LEU HA H 67 9.570 9.570 8.770 0.800 18111
237 1 . 1 1 42 42 LEU C C 67 354.726 354.726 356.913 -2.187 18111
238 1 . 1 1 42 42 LEU CA C 67 115.536 115.536 117.779 -2.244 18111
239 1 . 1 1 42 42 LEU CB C 67 82.689 82.689 83.511 -0.822 18111
240 1 . 1 1 42 42 LEU H H 67 17.274 17.274 15.410 1.864 18111
241 1 . 1 1 43 43 ASN N N 68 241.758 241.758 236.637 5.121 18111
242 1 . 1 1 43 43 ASN HA H 68 9.675 9.675 9.680 -0.005 18111
243 1 . 1 1 43 43 ASN C C 68 174.265 174.265 175.055 -0.790 18111
244 1 . 1 1 43 43 ASN CA C 68 120.557 120.557 123.103 -2.546 18111
245 1 . 1 1 43 43 ASN CB C 68 68.241 68.241 65.631 2.610 18111
246 1 . 1 1 43 43 ASN H H 68 17.567 17.567 17.165 0.402 18111
247 1 . 1 1 44 44 VAL HA H 69 9.264 9.264 8.377 0.887 18111
248 1 . 1 1 44 44 VAL C C 69 350.131 350.131 352.265 -2.134 18111
249 1 . 1 1 44 44 VAL CA C 69 123.667 123.667 128.201 -4.534 18111
250 1 . 1 1 44 44 VAL CB C 69 65.745 65.745 61.447 4.298 18111
251 1 . 1 1 45 45 PHE N N 70 235.203 235.203 236.294 -1.091 18111
252 1 . 1 1 45 45 PHE HA H 70 9.418 9.418 9.179 0.239 18111
253 1 . 1 1 45 45 PHE C C 70 351.371 351.371 353.881 -2.510 18111
254 1 . 1 1 45 45 PHE CA C 70 107.369 107.369 109.595 -2.226 18111
255 1 . 1 1 45 45 PHE CB C 70 60.602 60.602 58.811 1.791 18111
256 1 . 1 1 45 45 PHE H H 70 15.098 15.098 15.407 -0.309 18111
257 1 . 1 1 46 46 GLU N N 71 225.131 225.131 224.390 0.741 18111
258 1 . 1 1 46 46 GLU HA H 71 3.775 3.775 3.932 -0.157 18111
259 1 . 1 1 46 46 GLU C C 71 350.985 350.985 349.324 1.661 18111
260 1 . 1 1 46 46 GLU CA C 71 103.917 103.917 101.008 2.909 18111
261 1 . 1 1 46 46 GLU H H 71 17.018 17.018 15.466 1.552 18111
262 1 . 1 1 47 47 GLY N N 72 233.037 233.037 228.872 4.165 18111
263 1 . 1 1 47 47 GLY HA H 72 4.924 4.924 4.689 0.235 18111
264 1 . 1 1 47 47 GLY C C 72 174.204 174.204 173.378 0.826 18111
265 1 . 1 1 47 47 GLY CA C 72 101.912 101.912 101.165 0.747 18111
266 1 . 1 1 47 47 GLY CB C 72 42.000 42.000 40.933 1.067 18111
267 1 . 1 1 47 47 GLY H H 72 16.954 16.954 15.580 1.374 18111
268 1 . 1 1 48 48 GLU N N 73 240.439 240.439 248.292 -7.853 18111
269 1 . 1 1 48 48 GLU HA H 73 8.887 8.887 9.384 -0.497 18111
270 1 . 1 1 48 48 GLU C C 73 174.836 174.836 175.450 -0.614 18111
271 1 . 1 1 48 48 GLU CA C 73 111.820 111.820 108.682 3.138 18111
272 1 . 1 1 48 48 GLU CB C 73 63.679 63.679 63.048 0.632 18111
273 1 . 1 1 48 48 GLU H H 73 16.766 16.766 17.443 -0.677 18111
274 1 . 1 1 49 49 ARG N N 74 248.000 248.000 245.778 2.222 18111
275 1 . 1 1 49 49 ARG HA H 74 9.616 9.616 8.240 1.376 18111
276 1 . 1 1 49 49 ARG C C 74 353.002 353.002 351.718 1.284 18111
277 1 . 1 1 49 49 ARG CA C 74 116.788 116.788 119.297 -2.509 18111
278 1 . 1 1 49 49 ARG CB C 74 62.223 62.223 62.505 -0.282 18111
279 1 . 1 1 49 49 ARG H H 74 17.562 17.562 17.272 0.290 18111
280 1 . 1 1 50 50 VAL N N 75 237.349 237.349 243.816 -6.467 18111
281 1 . 1 1 50 50 VAL HA H 75 9.064 9.064 8.717 0.347 18111
282 1 . 1 1 50 50 VAL C C 75 348.643 348.643 350.923 -2.280 18111
283 1 . 1 1 50 50 VAL CA C 75 120.965 120.965 126.062 -5.097 18111
284 1 . 1 1 50 50 VAL CB C 75 104.152 104.152 103.106 1.046 18111
285 1 . 1 1 50 50 VAL H H 75 17.930 17.930 17.704 0.226 18111
286 1 . 1 1 51 51 GLU N N 76 243.450 243.450 238.863 4.587 18111
287 1 . 1 1 51 51 GLU HA H 76 9.588 9.588 9.363 0.225 18111
288 1 . 1 1 51 51 GLU C C 76 350.969 350.969 347.866 3.103 18111
289 1 . 1 1 51 51 GLU CA C 76 109.252 109.252 111.394 -2.142 18111
290 1 . 1 1 51 51 GLU CB C 76 64.885 64.885 68.604 -3.719 18111
291 1 . 1 1 51 51 GLU H H 76 16.077 16.077 15.659 0.418 18111
292 1 . 1 1 52 52 ARG N N 77 246.150 246.150 236.125 10.025 18111
293 1 . 1 1 52 52 ARG HA H 77 8.413 8.413 10.221 -1.808 18111
294 1 . 1 1 52 52 ARG C C 77 350.462 350.462 349.411 1.051 18111
295 1 . 1 1 52 52 ARG CA C 77 119.894 119.894 113.848 6.046 18111
296 1 . 1 1 52 52 ARG CB C 77 64.275 64.275 69.406 -5.131 18111
297 1 . 1 1 52 52 ARG H H 77 16.627 16.627 16.698 -0.071 18111
298 1 . 1 1 53 53 GLY N N 78 240.699 240.699 238.221 2.478 18111
299 1 . 1 1 53 53 GLY C C 78 173.715 173.715 172.703 1.012 18111
300 1 . 1 1 53 53 GLY CA C 78 97.049 97.049 94.512 2.537 18111
301 1 . 1 1 53 53 GLY CB C 78 31.660 31.660 31.984 -0.324 18111
302 1 . 1 1 53 53 GLY H H 78 18.359 18.359 18.080 0.279 18111
303 1 . 1 1 54 54 ASP HA H 79 8.912 8.912 9.935 -1.023 18111
304 1 . 1 1 54 54 ASP C C 79 351.456 351.456 352.068 -0.612 18111
305 1 . 1 1 54 54 ASP CA C 79 117.689 117.689 116.355 1.334 18111
306 1 . 1 1 54 54 ASP CB C 79 72.723 72.723 74.075 -1.352 18111
307 1 . 1 1 55 55 VAL N N 80 241.196 241.196 249.651 -8.455 18111
308 1 . 1 1 55 55 VAL HA H 80 8.348 8.348 8.828 -0.480 18111
309 1 . 1 1 55 55 VAL C C 80 350.809 350.809 350.536 0.273 18111
310 1 . 1 1 55 55 VAL CA C 80 123.426 123.426 119.238 4.188 18111
311 1 . 1 1 55 55 VAL CB C 80 57.861 57.861 57.660 0.201 18111
312 1 . 1 1 55 55 VAL H H 80 16.488 16.488 16.690 -0.202 18111
313 1 . 1 1 56 56 ILE N N 81 255.289 255.289 252.162 3.127 18111
314 1 . 1 1 56 56 ILE HA H 81 8.610 8.610 8.228 0.382 18111
315 1 . 1 1 56 56 ILE C C 81 351.220 351.220 350.748 0.472 18111
316 1 . 1 1 56 56 ILE CA C 81 123.659 123.659 124.949 -1.290 18111
317 1 . 1 1 56 56 ILE CB C 81 70.016 70.016 71.550 -1.534 18111
318 1 . 1 1 56 56 ILE H H 81 17.488 17.488 16.350 1.138 18111
319 1 . 1 1 57 57 SER N N 82 241.979 241.979 245.563 -3.584 18111
320 1 . 1 1 57 57 SER HA H 82 4.851 4.851 4.812 0.039 18111
321 1 . 1 1 57 57 SER C C 82 173.959 173.959 172.639 1.320 18111
322 1 . 1 1 57 57 SER CA C 82 107.778 107.778 106.528 1.250 18111
323 1 . 1 1 57 57 SER CB C 82 64.825 64.825 62.902 1.923 18111
324 1 . 1 1 57 57 SER H H 82 16.212 16.212 16.509 -0.297 18111
325 1 . 1 1 58 58 ASP HA H 83 4.521 4.521 4.696 -0.175 18111
326 1 . 1 1 58 58 ASP C C 83 175.427 175.427 175.306 0.121 18111
327 1 . 1 1 58 58 ASP CA C 83 55.078 55.078 54.131 0.947 18111
328 1 . 1 1 58 58 ASP CB C 83 41.727 41.727 40.749 0.978 18111
stop_
save_