data_18115
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18115
_Entry.PDB_ID 2LMG
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 18115
_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 3 3 ALA N N 538 127.340 127.340 124.734 2.606 18115
2 1 1 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.993 0.114 18115
3 1 1 . 1 1 3 3 ALA C C 538 179.658 179.658 178.455 1.203 18115
4 1 1 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.564 0.227 18115
5 1 1 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.951 -0.344 18115
6 1 1 . 1 1 3 3 ALA H H 538 8.781 8.781 8.124 0.657 18115
7 1 1 . 1 1 4 4 LYS N N 539 120.439 120.439 117.963 2.476 18115
8 1 1 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.554 -0.289 18115
9 1 1 . 1 1 4 4 LYS C C 539 177.428 177.428 177.768 -0.340 18115
10 1 1 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.871 0.870 18115
11 1 1 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.367 0.875 18115
12 1 1 . 1 1 4 4 LYS H H 539 8.006 8.006 7.881 0.125 18115
13 1 1 . 1 1 5 5 ASN N N 540 117.109 117.109 116.597 0.512 18115
14 1 1 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.419 -0.038 18115
15 1 1 . 1 1 5 5 ASN C C 540 177.598 177.598 177.437 0.161 18115
16 1 1 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.005 -0.247 18115
17 1 1 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.685 0.601 18115
18 1 1 . 1 1 5 5 ASN H H 540 7.789 7.789 8.223 -0.434 18115
19 1 1 . 1 1 6 6 ALA N N 541 122.489 122.489 123.888 -1.399 18115
20 1 1 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.150 -0.046 18115
21 1 1 . 1 1 6 6 ALA C C 541 180.393 180.393 179.958 0.435 18115
22 1 1 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.234 -0.198 18115
23 1 1 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.393 -0.238 18115
24 1 1 . 1 1 6 6 ALA H H 541 8.209 8.209 8.051 0.158 18115
25 1 1 . 1 1 7 7 LEU N N 542 120.603 120.603 119.825 0.778 18115
26 1 1 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.101 0.092 18115
27 1 1 . 1 1 7 7 LEU C C 542 177.015 177.015 179.113 -2.098 18115
28 1 1 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.219 -0.264 18115
29 1 1 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.963 0.260 18115
30 1 1 . 1 1 7 7 LEU H H 542 7.775 7.775 8.375 -0.600 18115
31 1 1 . 1 1 8 8 GLU N N 543 119.550 119.550 119.942 -0.392 18115
32 1 1 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.141 -0.586 18115
33 1 1 . 1 1 8 8 GLU C C 543 177.949 177.949 179.193 -1.244 18115
34 1 1 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.258 0.054 18115
35 1 1 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.860 0.565 18115
36 1 1 . 1 1 8 8 GLU H H 543 8.418 8.418 8.746 -0.328 18115
37 1 1 . 1 1 9 9 SER N N 544 112.181 112.181 116.496 -4.315 18115
38 1 1 . 1 1 9 9 SER HA H 544 4.192 4.192 4.213 -0.021 18115
39 1 1 . 1 1 9 9 SER C C 544 176.285 176.285 176.691 -0.406 18115
40 1 1 . 1 1 9 9 SER CA C 544 61.890 61.890 62.333 -0.443 18115
41 1 1 . 1 1 9 9 SER CB C 544 63.000 63.000 63.076 -0.076 18115
42 1 1 . 1 1 9 9 SER H H 544 8.313 8.313 8.137 0.176 18115
43 1 1 . 1 1 10 10 TYR N N 545 122.309 122.309 123.226 -0.917 18115
44 1 1 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.141 0.248 18115
45 1 1 . 1 1 10 10 TYR C C 545 177.193 177.193 177.068 0.125 18115
46 1 1 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.227 0.115 18115
47 1 1 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.295 0.592 18115
48 1 1 . 1 1 10 10 TYR H H 545 7.811 7.811 8.402 -0.591 18115
49 1 1 . 1 1 11 11 ALA N N 546 120.404 120.404 122.197 -1.793 18115
50 1 1 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.187 -0.398 18115
51 1 1 . 1 1 11 11 ALA C C 546 179.480 179.480 180.180 -0.700 18115
52 1 1 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.893 0.795 18115
53 1 1 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.163 -0.537 18115
54 1 1 . 1 1 11 11 ALA H H 546 8.456 8.456 8.686 -0.230 18115
55 1 1 . 1 1 12 12 PHE N N 547 116.158 116.158 119.042 -2.884 18115
56 1 1 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.100 0.045 18115
57 1 1 . 1 1 12 12 PHE C C 547 179.133 179.133 178.105 1.028 18115
58 1 1 . 1 1 12 12 PHE CA C 547 61.413 61.413 63.003 -1.590 18115
59 1 1 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.854 -0.574 18115
60 1 1 . 1 1 12 12 PHE H H 547 8.430 8.430 8.995 -0.565 18115
61 1 1 . 1 1 13 13 ASN N N 548 120.231 120.231 118.643 1.588 18115
62 1 1 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.478 -0.059 18115
63 1 1 . 1 1 13 13 ASN C C 548 178.326 178.326 177.919 0.407 18115
64 1 1 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.304 -0.352 18115
65 1 1 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.145 -0.192 18115
66 1 1 . 1 1 13 13 ASN H H 548 8.654 8.654 8.564 0.090 18115
67 1 1 . 1 1 14 14 MET N N 549 121.990 121.990 118.598 3.392 18115
68 1 1 . 1 1 14 14 MET HA H 549 4.278 4.278 4.211 0.067 18115
69 1 1 . 1 1 14 14 MET C C 549 176.929 176.929 178.201 -1.272 18115
70 1 1 . 1 1 14 14 MET CA C 549 57.182 57.182 57.778 -0.596 18115
71 1 1 . 1 1 14 14 MET CB C 549 32.998 32.998 31.808 1.190 18115
72 1 1 . 1 1 14 14 MET H H 549 8.331 8.331 8.428 -0.097 18115
73 1 1 . 1 1 15 15 LYS N N 550 119.946 119.946 121.147 -1.201 18115
74 1 1 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.902 -0.187 18115
75 1 1 . 1 1 15 15 LYS C C 550 177.879 177.879 178.947 -1.068 18115
76 1 1 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.144 -0.173 18115
77 1 1 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.224 0.586 18115
78 1 1 . 1 1 15 15 LYS H H 550 7.731 7.731 8.431 -0.700 18115
79 1 1 . 1 1 16 16 SER N N 551 111.477 111.477 115.627 -4.150 18115
80 1 1 . 1 1 16 16 SER HA H 551 4.093 4.093 4.156 -0.063 18115
81 1 1 . 1 1 16 16 SER C C 551 177.031 177.031 176.619 0.412 18115
82 1 1 . 1 1 16 16 SER CA C 551 61.173 61.173 61.658 -0.485 18115
83 1 1 . 1 1 16 16 SER CB C 551 63.007 63.007 62.865 0.142 18115
84 1 1 . 1 1 16 16 SER H H 551 7.766 7.766 8.434 -0.668 18115
85 1 1 . 1 1 17 17 ALA N N 552 123.689 123.689 123.238 0.451 18115
86 1 1 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.158 -0.075 18115
87 1 1 . 1 1 17 17 ALA C C 552 180.384 180.384 179.607 0.777 18115
88 1 1 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.782 0.506 18115
89 1 1 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.527 -0.362 18115
90 1 1 . 1 1 17 17 ALA H H 552 8.089 8.089 7.770 0.319 18115
91 1 1 . 1 1 18 18 VAL N N 553 109.294 109.294 113.673 -4.379 18115
92 1 1 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.844 0.172 18115
93 1 1 . 1 1 18 18 VAL C C 553 176.352 176.352 177.472 -1.120 18115
94 1 1 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.151 -1.393 18115
95 1 1 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.900 -0.248 18115
96 1 1 . 1 1 18 18 VAL H H 553 7.560 7.560 7.716 -0.156 18115
97 1 1 . 1 1 19 19 GLU N N 554 118.414 118.414 117.636 0.778 18115
98 1 1 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.194 0.021 18115
99 1 1 . 1 1 19 19 GLU C C 554 176.794 176.794 176.382 0.412 18115
100 1 1 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.571 0.173 18115
101 1 1 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.319 0.840 18115
102 1 1 . 1 1 19 19 GLU H H 554 7.389 7.389 7.850 -0.461 18115
103 1 1 . 1 1 20 20 ASP N N 555 120.735 120.735 119.676 1.059 18115
104 1 1 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.542 -0.175 18115
105 1 1 . 1 1 20 20 ASP C C 555 178.171 178.171 177.202 0.969 18115
106 1 1 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.086 1.781 18115
107 1 1 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.558 0.316 18115
108 1 1 . 1 1 20 20 ASP H H 555 7.224 7.224 7.351 -0.127 18115
109 1 1 . 1 1 21 21 GLU N N 556 126.927 126.927 123.176 3.751 18115
110 1 1 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.093 -0.112 18115
111 1 1 . 1 1 21 21 GLU C C 556 178.691 178.691 176.845 1.846 18115
112 1 1 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.971 1.173 18115
113 1 1 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.551 -0.001 18115
114 1 1 . 1 1 21 21 GLU H H 556 9.007 9.007 8.701 0.306 18115
115 1 1 . 1 1 22 22 GLY N N 557 108.255 108.255 107.015 1.240 18115
116 1 1 . 1 1 22 22 GLY C C 557 175.344 175.344 175.931 -0.587 18115
117 1 1 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.404 1.004 18115
118 1 1 . 1 1 22 22 GLY H H 557 9.031 9.031 8.339 0.692 18115
119 1 1 . 1 1 23 23 LEU N N 558 119.463 119.463 123.097 -3.634 18115
120 1 1 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.057 0.289 18115
121 1 1 . 1 1 23 23 LEU C C 558 177.893 177.893 177.774 0.119 18115
122 1 1 . 1 1 23 23 LEU CA C 558 54.920 54.920 56.773 -1.853 18115
123 1 1 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.000 0.386 18115
124 1 1 . 1 1 23 23 LEU H H 558 7.606 7.606 9.088 -1.482 18115
125 1 1 . 1 1 24 24 LYS N N 559 120.994 120.994 118.220 2.774 18115
126 1 1 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.296 -0.224 18115
127 1 1 . 1 1 24 24 LYS C C 559 177.830 177.830 177.755 0.075 18115
128 1 1 . 1 1 24 24 LYS CA C 559 58.477 58.477 58.072 0.406 18115
129 1 1 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.359 1.000 18115
130 1 1 . 1 1 24 24 LYS H H 559 7.572 7.572 8.035 -0.463 18115
131 1 1 . 1 1 25 25 GLY N N 560 111.895 111.895 105.282 6.613 18115
132 1 1 . 1 1 25 25 GLY C C 560 174.451 174.451 175.082 -0.631 18115
133 1 1 . 1 1 25 25 GLY CA C 560 45.586 45.586 44.997 0.589 18115
134 1 1 . 1 1 25 25 GLY H H 560 8.770 8.770 7.745 1.025 18115
135 1 1 . 1 1 26 26 LYS N N 561 118.925 118.925 119.594 -0.669 18115
136 1 1 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.462 -0.126 18115
137 1 1 . 1 1 26 26 LYS C C 561 175.860 175.860 176.690 -0.830 18115
138 1 1 . 1 1 26 26 LYS CA C 561 56.866 56.866 56.985 -0.119 18115
139 1 1 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.650 0.551 18115
140 1 1 . 1 1 26 26 LYS H H 561 8.116 8.116 7.774 0.342 18115
141 1 1 . 1 1 27 27 ILE N N 562 116.463 116.463 119.602 -3.139 18115
142 1 1 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.316 0.182 18115
143 1 1 . 1 1 27 27 ILE C C 562 174.838 174.838 173.975 0.863 18115
144 1 1 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.454 -0.066 18115
145 1 1 . 1 1 27 27 ILE CB C 562 40.669 40.669 41.157 -0.488 18115
146 1 1 . 1 1 27 27 ILE H H 562 7.430 7.430 7.717 -0.287 18115
147 1 1 . 1 1 28 28 SER N N 563 124.501 124.501 119.873 4.628 18115
148 1 1 . 1 1 28 28 SER HA H 563 4.404 4.404 4.631 -0.227 18115
149 1 1 . 1 1 28 28 SER C C 563 174.870 174.870 175.782 -0.912 18115
150 1 1 . 1 1 28 28 SER CA C 563 57.432 57.432 57.484 -0.053 18115
151 1 1 . 1 1 28 28 SER CB C 563 64.793 64.793 64.393 0.400 18115
152 1 1 . 1 1 28 28 SER H H 563 9.375 9.375 8.456 0.919 18115
153 1 1 . 1 1 29 29 GLU N N 564 122.048 122.048 124.574 -2.526 18115
154 1 1 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.882 0.018 18115
155 1 1 . 1 1 29 29 GLU C C 564 179.396 179.396 178.600 0.796 18115
156 1 1 . 1 1 29 29 GLU CA C 564 59.714 59.714 60.141 -0.427 18115
157 1 1 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.323 -0.105 18115
158 1 1 . 1 1 29 29 GLU H H 564 8.970 8.970 9.068 -0.098 18115
159 1 1 . 1 1 30 30 ALA N N 565 120.829 120.829 122.134 -1.305 18115
160 1 1 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.062 -0.016 18115
161 1 1 . 1 1 30 30 ALA C C 565 180.524 180.524 179.588 0.936 18115
162 1 1 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.286 -0.248 18115
163 1 1 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.686 0.777 18115
164 1 1 . 1 1 30 30 ALA H H 565 8.465 8.465 8.435 0.030 18115
165 1 1 . 1 1 31 31 ASP N N 566 121.111 121.111 118.990 2.121 18115
166 1 1 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.311 0.128 18115
167 1 1 . 1 1 31 31 ASP C C 566 177.738 177.738 178.564 -0.826 18115
168 1 1 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.907 -0.601 18115
169 1 1 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.458 -0.503 18115
170 1 1 . 1 1 31 31 ASP H H 566 7.835 7.835 7.701 0.134 18115
171 1 1 . 1 1 32 32 LYS N N 567 121.278 121.278 121.222 0.056 18115
172 1 1 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.855 -0.262 18115
173 1 1 . 1 1 32 32 LYS C C 567 177.700 177.700 178.942 -1.242 18115
174 1 1 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.782 0.771 18115
175 1 1 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.399 0.197 18115
176 1 1 . 1 1 32 32 LYS H H 567 8.379 8.379 8.219 0.160 18115
177 1 1 . 1 1 33 33 LYS N N 568 117.531 117.531 118.473 -0.942 18115
178 1 1 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.958 -0.119 18115
179 1 1 . 1 1 33 33 LYS C C 568 177.391 177.391 178.876 -1.485 18115
180 1 1 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.809 -0.402 18115
181 1 1 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.526 -0.045 18115
182 1 1 . 1 1 33 33 LYS H H 568 7.846 7.846 8.403 -0.557 18115
183 1 1 . 1 1 34 34 LYS N N 569 118.376 118.376 119.600 -1.224 18115
184 1 1 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.054 -0.055 18115
185 1 1 . 1 1 34 34 LYS C C 569 180.064 180.064 179.045 1.019 18115
186 1 1 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.307 0.646 18115
187 1 1 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.221 0.633 18115
188 1 1 . 1 1 34 34 LYS H H 569 7.647 7.647 8.148 -0.501 18115
189 1 1 . 1 1 35 35 VAL N N 570 118.353 118.353 120.964 -2.611 18115
190 1 1 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.743 -0.269 18115
191 1 1 . 1 1 35 35 VAL C C 570 178.019 178.019 177.374 0.645 18115
192 1 1 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.889 1.063 18115
193 1 1 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.092 0.441 18115
194 1 1 . 1 1 35 35 VAL H H 570 7.638 7.638 7.974 -0.336 18115
195 1 1 . 1 1 36 36 LEU N N 571 120.671 120.671 121.464 -0.793 18115
196 1 1 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.843 -0.053 18115
197 1 1 . 1 1 36 36 LEU C C 571 180.444 180.444 179.022 1.422 18115
198 1 1 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.688 0.225 18115
199 1 1 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.326 -0.118 18115
200 1 1 . 1 1 36 36 LEU H H 571 8.693 8.693 8.045 0.648 18115
201 1 1 . 1 1 37 37 ASP N N 572 120.071 120.071 119.031 1.040 18115
202 1 1 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.300 0.019 18115
203 1 1 . 1 1 37 37 ASP C C 572 179.345 179.345 178.518 0.827 18115
204 1 1 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.629 -0.346 18115
205 1 1 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.775 -1.099 18115
206 1 1 . 1 1 37 37 ASP H H 572 9.265 9.265 8.478 0.787 18115
207 1 1 . 1 1 38 38 LYS N N 573 121.858 121.858 120.550 1.308 18115
208 1 1 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.098 0.162 18115
209 1 1 . 1 1 38 38 LYS C C 573 178.856 178.856 178.648 0.208 18115
210 1 1 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.674 -1.613 18115
211 1 1 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.776 -0.790 18115
212 1 1 . 1 1 38 38 LYS H H 573 7.674 7.674 8.033 -0.359 18115
213 1 1 . 1 1 39 39 CYS N N 574 117.635 117.635 118.270 -0.635 18115
214 1 1 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.080 -0.217 18115
215 1 1 . 1 1 39 39 CYS C C 574 176.479 176.479 176.976 -0.497 18115
216 1 1 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.128 1.442 18115
217 1 1 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.982 -0.302 18115
218 1 1 . 1 1 39 39 CYS H H 574 8.818 8.818 8.707 0.111 18115
219 1 1 . 1 1 40 40 GLN N N 575 118.089 118.089 119.175 -1.086 18115
220 1 1 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.033 -0.074 18115
221 1 1 . 1 1 40 40 GLN C C 575 178.023 178.023 178.281 -0.258 18115
222 1 1 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.724 -0.055 18115
223 1 1 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.116 -0.026 18115
224 1 1 . 1 1 40 40 GLN H H 575 8.203 8.203 8.321 -0.118 18115
225 1 1 . 1 1 41 41 GLU N N 576 121.535 121.535 120.822 0.713 18115
226 1 1 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.031 -0.039 18115
227 1 1 . 1 1 41 41 GLU C C 576 179.586 179.586 178.957 0.629 18115
228 1 1 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.933 -0.044 18115
229 1 1 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.659 0.354 18115
230 1 1 . 1 1 41 41 GLU H H 576 8.074 8.074 8.048 0.026 18115
231 1 1 . 1 1 42 42 VAL N N 577 120.038 120.038 120.124 -0.086 18115
232 1 1 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.831 -0.120 18115
233 1 1 . 1 1 42 42 VAL C C 577 177.102 177.102 177.970 -0.868 18115
234 1 1 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.706 1.414 18115
235 1 1 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.978 -0.446 18115
236 1 1 . 1 1 42 42 VAL H H 577 8.144 8.144 8.056 0.088 18115
237 1 1 . 1 1 43 43 ILE N N 578 122.306 122.306 120.663 1.643 18115
238 1 1 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.770 -0.073 18115
239 1 1 . 1 1 43 43 ILE C C 578 178.491 178.491 178.099 0.392 18115
240 1 1 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.275 -0.657 18115
241 1 1 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.746 -0.059 18115
242 1 1 . 1 1 43 43 ILE H H 578 8.504 8.504 8.608 -0.104 18115
243 1 1 . 1 1 44 44 SER N N 579 115.928 115.928 115.114 0.814 18115
244 1 1 . 1 1 44 44 SER HA H 579 4.265 4.265 4.305 -0.040 18115
245 1 1 . 1 1 44 44 SER C C 579 177.129 177.129 175.958 1.171 18115
246 1 1 . 1 1 44 44 SER CA C 579 62.208 62.208 60.832 1.376 18115
247 1 1 . 1 1 44 44 SER CB C 579 62.906 62.906 62.981 -0.075 18115
248 1 1 . 1 1 44 44 SER H H 579 8.562 8.562 8.336 0.226 18115
249 1 1 . 1 1 45 45 TRP N N 580 124.917 124.917 123.384 1.533 18115
250 1 1 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.501 -0.460 18115
251 1 1 . 1 1 45 45 TRP C C 580 179.278 179.278 177.653 1.625 18115
252 1 1 . 1 1 45 45 TRP CA C 580 62.505 62.505 60.630 1.875 18115
253 1 1 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.822 -1.304 18115
254 1 1 . 1 1 45 45 TRP H H 580 8.406 8.406 7.762 0.644 18115
255 1 1 . 1 1 46 46 LEU N N 581 122.211 122.211 119.905 2.306 18115
256 1 1 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.759 -0.103 18115
257 1 1 . 1 1 46 46 LEU C C 581 179.119 179.119 178.254 0.865 18115
258 1 1 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.080 0.354 18115
259 1 1 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.822 0.718 18115
260 1 1 . 1 1 46 46 LEU H H 581 9.012 9.012 8.731 0.281 18115
261 1 1 . 1 1 47 47 ASP N N 582 117.724 117.724 115.929 1.795 18115
262 1 1 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.365 -0.087 18115
263 1 1 . 1 1 47 47 ASP C C 582 177.154 177.154 177.212 -0.058 18115
264 1 1 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.605 0.189 18115
265 1 1 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.252 -0.063 18115
266 1 1 . 1 1 47 47 ASP H H 582 7.665 7.665 7.837 -0.172 18115
267 1 1 . 1 1 48 48 ALA N N 583 118.604 118.604 119.627 -1.023 18115
268 1 1 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.263 0.025 18115
269 1 1 . 1 1 48 48 ALA C C 583 177.776 177.776 177.662 0.114 18115
270 1 1 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.208 -0.855 18115
271 1 1 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.840 0.053 18115
272 1 1 . 1 1 48 48 ALA H H 583 7.129 7.129 7.182 -0.053 18115
273 1 1 . 1 1 49 49 ASN N N 584 118.883 118.883 117.026 1.857 18115
274 1 1 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.839 -0.168 18115
275 1 1 . 1 1 49 49 ASN C C 584 174.761 174.761 175.482 -0.721 18115
276 1 1 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.160 0.688 18115
277 1 1 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.368 -0.400 18115
278 1 1 . 1 1 49 49 ASN H H 584 7.284 7.284 7.877 -0.593 18115
279 1 1 . 1 1 50 50 THR N N 585 112.258 112.258 113.707 -1.449 18115
280 1 1 . 1 1 50 50 THR HA H 585 3.967 3.967 4.236 -0.269 18115
281 1 1 . 1 1 50 50 THR C C 585 175.787 175.787 175.381 0.406 18115
282 1 1 . 1 1 50 50 THR CA C 585 65.175 65.175 64.180 0.995 18115
283 1 1 . 1 1 50 50 THR CB C 585 69.336 69.336 68.769 0.567 18115
284 1 1 . 1 1 50 50 THR H H 585 7.615 7.615 8.293 -0.678 18115
285 1 1 . 1 1 51 51 LEU N N 586 120.550 120.550 119.418 1.132 18115
286 1 1 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.536 0.007 18115
287 1 1 . 1 1 51 51 LEU C C 586 176.635 176.635 176.973 -0.338 18115
288 1 1 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.820 0.141 18115
289 1 1 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.495 0.577 18115
290 1 1 . 1 1 51 51 LEU H H 586 8.254 8.254 7.718 0.536 18115
291 1 1 . 1 1 52 52 ALA N N 587 123.048 123.048 122.285 0.763 18115
292 1 1 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.111 -0.035 18115
293 1 1 . 1 1 52 52 ALA C C 587 176.356 176.356 177.226 -0.870 18115
294 1 1 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.290 0.306 18115
295 1 1 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.641 -0.210 18115
296 1 1 . 1 1 52 52 ALA H H 587 7.124 7.124 7.146 -0.022 18115
297 1 1 . 1 1 53 53 GLU N N 588 118.471 118.471 120.055 -1.584 18115
298 1 1 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.367 -0.007 18115
299 1 1 . 1 1 53 53 GLU C C 588 177.945 177.945 178.192 -0.247 18115
300 1 1 . 1 1 53 53 GLU CA C 588 55.737 55.737 56.338 -0.601 18115
301 1 1 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.654 0.545 18115
302 1 1 . 1 1 53 53 GLU H H 588 8.429 8.429 8.434 -0.005 18115
303 1 1 . 1 1 54 54 LYS N N 589 121.635 121.635 121.809 -0.174 18115
304 1 1 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.171 -0.021 18115
305 1 1 . 1 1 54 54 LYS C C 589 178.445 178.445 177.999 0.446 18115
306 1 1 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.208 0.499 18115
307 1 1 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.145 0.645 18115
308 1 1 . 1 1 54 54 LYS H H 589 8.763 8.763 8.734 0.029 18115
309 1 1 . 1 1 55 55 ASP N N 590 116.537 116.537 118.992 -2.455 18115
310 1 1 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.511 -0.191 18115
311 1 1 . 1 1 55 55 ASP C C 590 178.649 178.649 178.714 -0.065 18115
312 1 1 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.691 -0.679 18115
313 1 1 . 1 1 55 55 ASP CB C 590 40.089 40.089 40.165 -0.076 18115
314 1 1 . 1 1 55 55 ASP H H 590 8.814 8.814 8.790 0.024 18115
315 1 1 . 1 1 56 56 GLU N N 591 119.611 119.611 120.599 -0.988 18115
316 1 1 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.093 -0.028 18115
317 1 1 . 1 1 56 56 GLU C C 591 179.582 179.582 178.777 0.805 18115
318 1 1 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.133 0.380 18115
319 1 1 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.115 0.698 18115
320 1 1 . 1 1 56 56 GLU H H 591 7.785 7.785 7.902 -0.117 18115
321 1 1 . 1 1 57 57 PHE N N 592 117.509 117.509 118.016 -0.507 18115
322 1 1 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.378 -0.153 18115
323 1 1 . 1 1 57 57 PHE C C 592 178.436 178.436 178.146 0.290 18115
324 1 1 . 1 1 57 57 PHE CA C 592 61.611 61.611 62.051 -0.440 18115
325 1 1 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.821 0.013 18115
326 1 1 . 1 1 57 57 PHE H H 592 7.443 7.443 7.562 -0.119 18115
327 1 1 . 1 1 58 58 GLU N N 593 118.501 118.501 119.782 -1.281 18115
328 1 1 . 1 1 58 58 GLU HA H 593 4.134 4.134 4.012 0.122 18115
329 1 1 . 1 1 58 58 GLU C C 593 178.855 178.855 179.262 -0.407 18115
330 1 1 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.794 -0.810 18115
331 1 1 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.056 0.011 18115
332 1 1 . 1 1 58 58 GLU H H 593 7.952 7.952 8.703 -0.751 18115
333 1 1 . 1 1 59 59 HIS N N 594 118.563 118.563 118.830 -0.267 18115
334 1 1 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.340 -0.127 18115
335 1 1 . 1 1 59 59 HIS C C 594 177.856 177.856 177.333 0.523 18115
336 1 1 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.488 -0.220 18115
337 1 1 . 1 1 59 59 HIS CB C 594 29.037 29.037 30.373 -1.336 18115
338 1 1 . 1 1 59 59 HIS H H 594 8.126 8.126 8.439 -0.313 18115
339 1 1 . 1 1 60 60 LYS N N 595 119.034 119.034 120.563 -1.529 18115
340 1 1 . 1 1 60 60 LYS HA H 595 3.694 3.694 4.024 -0.330 18115
341 1 1 . 1 1 60 60 LYS C C 595 178.057 178.057 178.855 -0.798 18115
342 1 1 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.213 -1.066 18115
343 1 1 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.765 -0.988 18115
344 1 1 . 1 1 60 60 LYS H H 595 7.733 7.733 7.882 -0.149 18115
345 1 1 . 1 1 61 61 ARG N N 596 120.071 120.071 119.561 0.510 18115
346 1 1 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.708 -0.060 18115
347 1 1 . 1 1 61 61 ARG C C 596 177.921 177.921 178.001 -0.080 18115
348 1 1 . 1 1 61 61 ARG CA C 596 60.178 60.178 60.003 0.175 18115
349 1 1 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.083 -0.278 18115
350 1 1 . 1 1 61 61 ARG H H 596 8.167 8.167 8.530 -0.363 18115
351 1 1 . 1 1 62 62 LYS N N 597 118.731 118.731 118.503 0.228 18115
352 1 1 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.104 -0.218 18115
353 1 1 . 1 1 62 62 LYS C C 597 178.963 178.963 179.478 -0.515 18115
354 1 1 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.492 0.744 18115
355 1 1 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.505 0.394 18115
356 1 1 . 1 1 62 62 LYS H H 597 7.948 7.948 7.602 0.346 18115
357 1 1 . 1 1 63 63 GLU N N 598 118.881 118.881 119.923 -1.042 18115
358 1 1 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.841 0.035 18115
359 1 1 . 1 1 63 63 GLU C C 598 179.408 179.408 178.989 0.419 18115
360 1 1 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.076 0.309 18115
361 1 1 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.416 0.987 18115
362 1 1 . 1 1 63 63 GLU H H 598 7.794 7.794 7.825 -0.031 18115
363 1 1 . 1 1 64 64 LEU N N 599 119.904 119.904 120.410 -0.506 18115
364 1 1 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.917 0.153 18115
365 1 1 . 1 1 64 64 LEU C C 599 178.814 178.814 179.206 -0.392 18115
366 1 1 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.878 0.118 18115
367 1 1 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.311 0.709 18115
368 1 1 . 1 1 64 64 LEU H H 599 7.800 7.800 8.272 -0.472 18115
369 1 1 . 1 1 65 65 GLU N N 600 122.446 122.446 120.256 2.190 18115
370 1 1 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.013 0.153 18115
371 1 1 . 1 1 65 65 GLU C C 600 178.550 178.550 179.115 -0.565 18115
372 1 1 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.627 0.104 18115
373 1 1 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.429 0.840 18115
374 1 1 . 1 1 65 65 GLU H H 600 8.948 8.948 8.585 0.363 18115
375 1 1 . 1 1 66 66 GLN N N 601 116.068 116.068 117.187 -1.119 18115
376 1 1 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.030 -0.079 18115
377 1 1 . 1 1 66 66 GLN C C 601 178.277 178.277 177.899 0.378 18115
378 1 1 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.209 0.317 18115
379 1 1 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.723 -0.101 18115
380 1 1 . 1 1 66 66 GLN H H 601 8.109 8.109 7.829 0.280 18115
381 1 1 . 1 1 67 67 VAL N N 602 116.121 116.121 117.926 -1.805 18115
382 1 1 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.961 -0.156 18115
383 1 1 . 1 1 67 67 VAL C C 602 177.423 177.423 177.193 0.230 18115
384 1 1 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.459 0.646 18115
385 1 1 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.240 0.937 18115
386 1 1 . 1 1 67 67 VAL H H 602 7.171 7.171 7.602 -0.431 18115
387 1 1 . 1 1 68 68 CYS N N 603 114.504 114.504 115.443 -0.939 18115
388 1 1 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.345 -0.347 18115
389 1 1 . 1 1 68 68 CYS C C 603 176.503 176.503 176.528 -0.025 18115
390 1 1 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.018 3.307 18115
391 1 1 . 1 1 68 68 CYS CB C 603 28.665 28.665 27.352 1.313 18115
392 1 1 . 1 1 68 68 CYS H H 603 8.138 8.138 8.162 -0.024 18115
393 1 1 . 1 1 69 69 ASN N N 604 119.915 119.915 122.061 -2.146 18115
394 1 1 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.539 0.035 18115
395 1 1 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.477 0.338 18115
396 1 1 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.541 -0.727 18115
397 1 1 . 1 1 69 69 ASN H H 604 9.045 9.045 8.815 0.230 18115
398 1 1 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.287 -0.016 18115
399 1 1 . 1 1 70 70 PRO C C 605 177.471 177.471 176.805 0.666 18115
400 1 1 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.202 0.468 18115
401 1 1 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.525 0.063 18115
402 1 1 . 1 1 71 71 ILE N N 606 115.752 115.752 113.467 2.285 18115
403 1 1 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.072 -0.254 18115
404 1 1 . 1 1 71 71 ILE C C 606 177.032 177.032 177.491 -0.459 18115
405 1 1 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.251 0.067 18115
406 1 1 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.679 0.945 18115
407 1 1 . 1 1 71 71 ILE H H 606 6.851 6.851 7.401 -0.550 18115
408 1 1 . 1 1 72 72 ILE N N 607 116.042 116.042 122.319 -6.277 18115
409 1 1 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.809 0.197 18115
410 1 1 . 1 1 72 72 ILE C C 607 177.236 177.236 178.027 -0.791 18115
411 1 1 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.676 -1.950 18115
412 1 1 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.823 0.479 18115
413 1 1 . 1 1 72 72 ILE H H 607 8.032 8.032 8.793 -0.761 18115
414 1 1 . 1 1 73 73 SER N N 608 115.855 115.855 116.278 -0.423 18115
415 1 1 . 1 1 73 73 SER HA H 608 4.277 4.277 4.301 -0.024 18115
416 1 1 . 1 1 73 73 SER C C 608 175.111 175.111 175.880 -0.769 18115
417 1 1 . 1 1 73 73 SER CA C 608 60.134 60.134 60.949 -0.815 18115
418 1 1 . 1 1 73 73 SER CB C 608 63.480 63.480 62.844 0.636 18115
419 1 1 . 1 1 73 73 SER H H 608 8.001 8.001 8.534 -0.533 18115
420 1 1 . 1 1 74 74 GLY N N 609 109.991 109.991 109.522 0.469 18115
421 1 1 . 1 1 74 74 GLY C C 609 173.508 173.508 173.328 0.180 18115
422 1 1 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.962 0.353 18115
423 1 1 . 1 1 74 74 GLY H H 609 7.924 7.924 7.612 0.312 18115
424 1 2 . 1 1 3 3 ALA N N 538 127.340 127.340 126.821 0.519 18115
425 1 2 . 1 1 3 3 ALA HA H 538 4.107 4.107 4.082 0.025 18115
426 1 2 . 1 1 3 3 ALA C C 538 179.658 179.658 178.503 1.155 18115
427 1 2 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.330 0.461 18115
428 1 2 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.722 -0.115 18115
429 1 2 . 1 1 3 3 ALA H H 538 8.781 8.781 8.502 0.279 18115
430 1 2 . 1 1 4 4 LYS N N 539 120.439 120.439 118.533 1.906 18115
431 1 2 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.700 -0.435 18115
432 1 2 . 1 1 4 4 LYS C C 539 177.428 177.428 177.533 -0.105 18115
433 1 2 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.860 0.881 18115
434 1 2 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.431 0.811 18115
435 1 2 . 1 1 4 4 LYS H H 539 8.006 8.006 7.745 0.261 18115
436 1 2 . 1 1 5 5 ASN N N 540 117.109 117.109 116.792 0.317 18115
437 1 2 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.437 -0.056 18115
438 1 2 . 1 1 5 5 ASN C C 540 177.598 177.598 177.661 -0.063 18115
439 1 2 . 1 1 5 5 ASN CA C 540 55.758 55.758 55.984 -0.226 18115
440 1 2 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.576 0.710 18115
441 1 2 . 1 1 5 5 ASN H H 540 7.789 7.789 8.234 -0.445 18115
442 1 2 . 1 1 6 6 ALA N N 541 122.489 122.489 123.144 -0.655 18115
443 1 2 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.073 0.031 18115
444 1 2 . 1 1 6 6 ALA C C 541 180.393 180.393 179.310 1.083 18115
445 1 2 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.206 -0.170 18115
446 1 2 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.659 -0.504 18115
447 1 2 . 1 1 6 6 ALA H H 541 8.209 8.209 8.123 0.086 18115
448 1 2 . 1 1 7 7 LEU N N 542 120.603 120.603 119.964 0.639 18115
449 1 2 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.083 0.110 18115
450 1 2 . 1 1 7 7 LEU C C 542 177.015 177.015 179.144 -2.129 18115
451 1 2 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.215 -0.260 18115
452 1 2 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.856 0.367 18115
453 1 2 . 1 1 7 7 LEU H H 542 7.775 7.775 8.560 -0.785 18115
454 1 2 . 1 1 8 8 GLU N N 543 119.550 119.550 119.534 0.016 18115
455 1 2 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.141 -0.586 18115
456 1 2 . 1 1 8 8 GLU C C 543 177.949 177.949 179.173 -1.224 18115
457 1 2 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.087 0.225 18115
458 1 2 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.704 0.721 18115
459 1 2 . 1 1 8 8 GLU H H 543 8.418 8.418 8.868 -0.450 18115
460 1 2 . 1 1 9 9 SER N N 544 112.181 112.181 115.953 -3.772 18115
461 1 2 . 1 1 9 9 SER HA H 544 4.192 4.192 4.234 -0.042 18115
462 1 2 . 1 1 9 9 SER C C 544 176.285 176.285 176.726 -0.441 18115
463 1 2 . 1 1 9 9 SER CA C 544 61.890 61.890 61.720 0.170 18115
464 1 2 . 1 1 9 9 SER CB C 544 63.000 63.000 63.122 -0.122 18115
465 1 2 . 1 1 9 9 SER H H 544 8.313 8.313 7.876 0.437 18115
466 1 2 . 1 1 10 10 TYR N N 545 122.309 122.309 123.045 -0.736 18115
467 1 2 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.157 0.232 18115
468 1 2 . 1 1 10 10 TYR C C 545 177.193 177.193 177.169 0.024 18115
469 1 2 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.270 0.072 18115
470 1 2 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.338 0.549 18115
471 1 2 . 1 1 10 10 TYR H H 545 7.811 7.811 8.479 -0.668 18115
472 1 2 . 1 1 11 11 ALA N N 546 120.404 120.404 122.102 -1.698 18115
473 1 2 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.193 -0.404 18115
474 1 2 . 1 1 11 11 ALA C C 546 179.480 179.480 180.130 -0.650 18115
475 1 2 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.897 0.791 18115
476 1 2 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.194 -0.568 18115
477 1 2 . 1 1 11 11 ALA H H 546 8.456 8.456 8.775 -0.319 18115
478 1 2 . 1 1 12 12 PHE N N 547 116.158 116.158 118.947 -2.789 18115
479 1 2 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.111 0.034 18115
480 1 2 . 1 1 12 12 PHE C C 547 179.133 179.133 177.858 1.275 18115
481 1 2 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.657 -1.244 18115
482 1 2 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.742 -0.462 18115
483 1 2 . 1 1 12 12 PHE H H 547 8.430 8.430 8.938 -0.508 18115
484 1 2 . 1 1 13 13 ASN N N 548 120.231 120.231 117.720 2.511 18115
485 1 2 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.422 -0.003 18115
486 1 2 . 1 1 13 13 ASN C C 548 178.326 178.326 177.647 0.679 18115
487 1 2 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.289 -0.337 18115
488 1 2 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.162 -0.208 18115
489 1 2 . 1 1 13 13 ASN H H 548 8.654 8.654 8.585 0.069 18115
490 1 2 . 1 1 14 14 MET N N 549 121.990 121.990 118.554 3.436 18115
491 1 2 . 1 1 14 14 MET HA H 549 4.278 4.278 4.225 0.053 18115
492 1 2 . 1 1 14 14 MET C C 549 176.929 176.929 178.225 -1.296 18115
493 1 2 . 1 1 14 14 MET CA C 549 57.182 57.182 57.667 -0.485 18115
494 1 2 . 1 1 14 14 MET CB C 549 32.998 32.998 31.821 1.177 18115
495 1 2 . 1 1 14 14 MET H H 549 8.331 8.331 8.274 0.057 18115
496 1 2 . 1 1 15 15 LYS N N 550 119.946 119.946 120.844 -0.898 18115
497 1 2 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.890 -0.175 18115
498 1 2 . 1 1 15 15 LYS C C 550 177.879 177.879 179.007 -1.128 18115
499 1 2 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.127 -0.156 18115
500 1 2 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.129 0.681 18115
501 1 2 . 1 1 15 15 LYS H H 550 7.731 7.731 8.381 -0.650 18115
502 1 2 . 1 1 16 16 SER N N 551 111.477 111.477 114.865 -3.388 18115
503 1 2 . 1 1 16 16 SER HA H 551 4.093 4.093 4.209 -0.116 18115
504 1 2 . 1 1 16 16 SER C C 551 177.031 177.031 176.274 0.757 18115
505 1 2 . 1 1 16 16 SER CA C 551 61.173 61.173 60.950 0.223 18115
506 1 2 . 1 1 16 16 SER CB C 551 63.007 63.007 63.009 -0.002 18115
507 1 2 . 1 1 16 16 SER H H 551 7.766 7.766 8.351 -0.585 18115
508 1 2 . 1 1 17 17 ALA N N 552 123.689 123.689 122.675 1.014 18115
509 1 2 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.138 -0.055 18115
510 1 2 . 1 1 17 17 ALA C C 552 180.384 180.384 179.966 0.418 18115
511 1 2 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.778 0.510 18115
512 1 2 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.533 -0.368 18115
513 1 2 . 1 1 17 17 ALA H H 552 8.089 8.089 7.828 0.261 18115
514 1 2 . 1 1 18 18 VAL N N 553 109.294 109.294 113.606 -4.312 18115
515 1 2 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.842 0.174 18115
516 1 2 . 1 1 18 18 VAL C C 553 176.352 176.352 177.480 -1.128 18115
517 1 2 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.226 -1.468 18115
518 1 2 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.912 -0.260 18115
519 1 2 . 1 1 18 18 VAL H H 553 7.560 7.560 7.604 -0.044 18115
520 1 2 . 1 1 19 19 GLU N N 554 118.414 118.414 117.981 0.433 18115
521 1 2 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.243 -0.028 18115
522 1 2 . 1 1 19 19 GLU C C 554 176.794 176.794 176.538 0.256 18115
523 1 2 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.259 0.485 18115
524 1 2 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.272 0.887 18115
525 1 2 . 1 1 19 19 GLU H H 554 7.389 7.389 7.695 -0.306 18115
526 1 2 . 1 1 20 20 ASP N N 555 120.735 120.735 120.121 0.614 18115
527 1 2 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.495 -0.128 18115
528 1 2 . 1 1 20 20 ASP C C 555 178.171 178.171 176.907 1.264 18115
529 1 2 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.514 1.353 18115
530 1 2 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.355 0.519 18115
531 1 2 . 1 1 20 20 ASP H H 555 7.224 7.224 7.287 -0.063 18115
532 1 2 . 1 1 21 21 GLU N N 556 126.927 126.927 123.079 3.848 18115
533 1 2 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.110 -0.129 18115
534 1 2 . 1 1 21 21 GLU C C 556 178.691 178.691 176.484 2.207 18115
535 1 2 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.742 1.402 18115
536 1 2 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.270 0.280 18115
537 1 2 . 1 1 21 21 GLU H H 556 9.007 9.007 8.790 0.217 18115
538 1 2 . 1 1 22 22 GLY N N 557 108.255 108.255 106.516 1.739 18115
539 1 2 . 1 1 22 22 GLY C C 557 175.344 175.344 175.098 0.246 18115
540 1 2 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.229 1.179 18115
541 1 2 . 1 1 22 22 GLY H H 557 9.031 9.031 8.309 0.722 18115
542 1 2 . 1 1 23 23 LEU N N 558 119.463 119.463 121.741 -2.278 18115
543 1 2 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.349 -0.003 18115
544 1 2 . 1 1 23 23 LEU C C 558 177.893 177.893 176.341 1.552 18115
545 1 2 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.848 0.072 18115
546 1 2 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.092 0.294 18115
547 1 2 . 1 1 23 23 LEU H H 558 7.606 7.606 8.359 -0.753 18115
548 1 2 . 1 1 24 24 LYS N N 559 120.994 120.994 119.836 1.158 18115
549 1 2 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.191 -0.119 18115
550 1 2 . 1 1 24 24 LYS C C 559 177.830 177.830 177.538 0.292 18115
551 1 2 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.023 1.454 18115
552 1 2 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.291 1.068 18115
553 1 2 . 1 1 24 24 LYS H H 559 7.572 7.572 7.318 0.254 18115
554 1 2 . 1 1 25 25 GLY N N 560 111.895 111.895 113.619 -1.724 18115
555 1 2 . 1 1 25 25 GLY C C 560 174.451 174.451 175.283 -0.832 18115
556 1 2 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.740 -0.154 18115
557 1 2 . 1 1 25 25 GLY H H 560 8.770 8.770 8.716 0.054 18115
558 1 2 . 1 1 26 26 LYS N N 561 118.925 118.925 119.967 -1.042 18115
559 1 2 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.267 0.069 18115
560 1 2 . 1 1 26 26 LYS C C 561 175.860 175.860 176.902 -1.042 18115
561 1 2 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.685 -0.819 18115
562 1 2 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.247 0.954 18115
563 1 2 . 1 1 26 26 LYS H H 561 8.116 8.116 7.797 0.319 18115
564 1 2 . 1 1 27 27 ILE N N 562 116.463 116.463 118.455 -1.992 18115
565 1 2 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.309 0.189 18115
566 1 2 . 1 1 27 27 ILE C C 562 174.838 174.838 173.996 0.842 18115
567 1 2 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.398 -0.010 18115
568 1 2 . 1 1 27 27 ILE CB C 562 40.669 40.669 41.197 -0.528 18115
569 1 2 . 1 1 27 27 ILE H H 562 7.430 7.430 7.409 0.021 18115
570 1 2 . 1 1 28 28 SER N N 563 124.501 124.501 119.228 5.273 18115
571 1 2 . 1 1 28 28 SER HA H 563 4.404 4.404 4.498 -0.094 18115
572 1 2 . 1 1 28 28 SER C C 563 174.870 174.870 175.890 -1.020 18115
573 1 2 . 1 1 28 28 SER CA C 563 57.432 57.432 57.002 0.430 18115
574 1 2 . 1 1 28 28 SER CB C 563 64.793 64.793 64.566 0.227 18115
575 1 2 . 1 1 28 28 SER H H 563 9.375 9.375 8.490 0.885 18115
576 1 2 . 1 1 29 29 GLU N N 564 122.048 122.048 124.772 -2.724 18115
577 1 2 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.979 -0.079 18115
578 1 2 . 1 1 29 29 GLU C C 564 179.396 179.396 178.385 1.011 18115
579 1 2 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.859 -0.145 18115
580 1 2 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.323 -0.105 18115
581 1 2 . 1 1 29 29 GLU H H 564 8.970 8.970 9.057 -0.087 18115
582 1 2 . 1 1 30 30 ALA N N 565 120.829 120.829 121.474 -0.645 18115
583 1 2 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.001 0.045 18115
584 1 2 . 1 1 30 30 ALA C C 565 180.524 180.524 179.563 0.961 18115
585 1 2 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.471 -0.433 18115
586 1 2 . 1 1 30 30 ALA CB C 565 18.463 18.463 18.202 0.261 18115
587 1 2 . 1 1 30 30 ALA H H 565 8.465 8.465 8.296 0.169 18115
588 1 2 . 1 1 31 31 ASP N N 566 121.111 121.111 119.061 2.050 18115
589 1 2 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.295 0.144 18115
590 1 2 . 1 1 31 31 ASP C C 566 177.738 177.738 178.530 -0.792 18115
591 1 2 . 1 1 31 31 ASP CA C 566 57.306 57.306 58.446 -1.140 18115
592 1 2 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.400 -0.445 18115
593 1 2 . 1 1 31 31 ASP H H 566 7.835 7.835 7.810 0.025 18115
594 1 2 . 1 1 32 32 LYS N N 567 121.278 121.278 121.178 0.100 18115
595 1 2 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.825 -0.232 18115
596 1 2 . 1 1 32 32 LYS C C 567 177.700 177.700 178.720 -1.020 18115
597 1 2 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.685 0.868 18115
598 1 2 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.442 0.154 18115
599 1 2 . 1 1 32 32 LYS H H 567 8.379 8.379 8.104 0.275 18115
600 1 2 . 1 1 33 33 LYS N N 568 117.531 117.531 118.413 -0.882 18115
601 1 2 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.949 -0.110 18115
602 1 2 . 1 1 33 33 LYS C C 568 177.391 177.391 178.898 -1.507 18115
603 1 2 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.771 -0.364 18115
604 1 2 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.485 -0.004 18115
605 1 2 . 1 1 33 33 LYS H H 568 7.846 7.846 8.589 -0.743 18115
606 1 2 . 1 1 34 34 LYS N N 569 118.376 118.376 119.715 -1.339 18115
607 1 2 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.053 -0.054 18115
608 1 2 . 1 1 34 34 LYS C C 569 180.064 180.064 179.004 1.060 18115
609 1 2 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.295 0.658 18115
610 1 2 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.195 0.659 18115
611 1 2 . 1 1 34 34 LYS H H 569 7.647 7.647 8.054 -0.407 18115
612 1 2 . 1 1 35 35 VAL N N 570 118.353 118.353 120.991 -2.638 18115
613 1 2 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.752 -0.278 18115
614 1 2 . 1 1 35 35 VAL C C 570 178.019 178.019 177.394 0.625 18115
615 1 2 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.928 1.024 18115
616 1 2 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.116 0.417 18115
617 1 2 . 1 1 35 35 VAL H H 570 7.638 7.638 7.888 -0.250 18115
618 1 2 . 1 1 36 36 LEU N N 571 120.671 120.671 121.327 -0.656 18115
619 1 2 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.840 -0.050 18115
620 1 2 . 1 1 36 36 LEU C C 571 180.444 180.444 179.007 1.437 18115
621 1 2 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.772 0.141 18115
622 1 2 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.361 -0.153 18115
623 1 2 . 1 1 36 36 LEU H H 571 8.693 8.693 8.325 0.368 18115
624 1 2 . 1 1 37 37 ASP N N 572 120.071 120.071 119.194 0.877 18115
625 1 2 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.284 0.035 18115
626 1 2 . 1 1 37 37 ASP C C 572 179.345 179.345 178.494 0.851 18115
627 1 2 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.886 -0.603 18115
628 1 2 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.890 -1.214 18115
629 1 2 . 1 1 37 37 ASP H H 572 9.265 9.265 8.520 0.745 18115
630 1 2 . 1 1 38 38 LYS N N 573 121.858 121.858 120.453 1.405 18115
631 1 2 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.123 0.137 18115
632 1 2 . 1 1 38 38 LYS C C 573 178.856 178.856 178.824 0.032 18115
633 1 2 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.676 -1.615 18115
634 1 2 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.824 -0.838 18115
635 1 2 . 1 1 38 38 LYS H H 573 7.674 7.674 7.992 -0.318 18115
636 1 2 . 1 1 39 39 CYS N N 574 117.635 117.635 118.571 -0.936 18115
637 1 2 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.056 -0.193 18115
638 1 2 . 1 1 39 39 CYS C C 574 176.479 176.479 177.016 -0.537 18115
639 1 2 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.473 1.097 18115
640 1 2 . 1 1 39 39 CYS CB C 574 26.680 26.680 27.101 -0.421 18115
641 1 2 . 1 1 39 39 CYS H H 574 8.818 8.818 8.772 0.046 18115
642 1 2 . 1 1 40 40 GLN N N 575 118.089 118.089 119.072 -0.983 18115
643 1 2 . 1 1 40 40 GLN HA H 575 3.959 3.959 3.964 -0.005 18115
644 1 2 . 1 1 40 40 GLN C C 575 178.023 178.023 178.296 -0.273 18115
645 1 2 . 1 1 40 40 GLN CA C 575 58.669 58.669 59.237 -0.568 18115
646 1 2 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.151 -0.061 18115
647 1 2 . 1 1 40 40 GLN H H 575 8.203 8.203 8.457 -0.254 18115
648 1 2 . 1 1 41 41 GLU N N 576 121.535 121.535 120.395 1.140 18115
649 1 2 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.080 -0.088 18115
650 1 2 . 1 1 41 41 GLU C C 576 179.586 179.586 179.297 0.289 18115
651 1 2 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.595 0.294 18115
652 1 2 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.629 0.384 18115
653 1 2 . 1 1 41 41 GLU H H 576 8.074 8.074 7.999 0.075 18115
654 1 2 . 1 1 42 42 VAL N N 577 120.038 120.038 119.944 0.094 18115
655 1 2 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.811 -0.100 18115
656 1 2 . 1 1 42 42 VAL C C 577 177.102 177.102 177.593 -0.491 18115
657 1 2 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.751 1.369 18115
658 1 2 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.932 -0.400 18115
659 1 2 . 1 1 42 42 VAL H H 577 8.144 8.144 8.265 -0.121 18115
660 1 2 . 1 1 43 43 ILE N N 578 122.306 122.306 121.040 1.266 18115
661 1 2 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.725 -0.028 18115
662 1 2 . 1 1 43 43 ILE C C 578 178.491 178.491 178.073 0.418 18115
663 1 2 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.169 -0.551 18115
664 1 2 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.749 -0.062 18115
665 1 2 . 1 1 43 43 ILE H H 578 8.504 8.504 8.461 0.043 18115
666 1 2 . 1 1 44 44 SER N N 579 115.928 115.928 116.004 -0.076 18115
667 1 2 . 1 1 44 44 SER HA H 579 4.265 4.265 4.230 0.035 18115
668 1 2 . 1 1 44 44 SER C C 579 177.129 177.129 176.344 0.785 18115
669 1 2 . 1 1 44 44 SER CA C 579 62.208 62.208 61.612 0.596 18115
670 1 2 . 1 1 44 44 SER CB C 579 62.906 62.906 63.002 -0.096 18115
671 1 2 . 1 1 44 44 SER H H 579 8.562 8.562 8.535 0.027 18115
672 1 2 . 1 1 45 45 TRP N N 580 124.917 124.917 124.363 0.554 18115
673 1 2 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.379 -0.338 18115
674 1 2 . 1 1 45 45 TRP C C 580 179.278 179.278 177.437 1.841 18115
675 1 2 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.373 1.132 18115
676 1 2 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.613 -1.095 18115
677 1 2 . 1 1 45 45 TRP H H 580 8.406 8.406 7.983 0.423 18115
678 1 2 . 1 1 46 46 LEU N N 581 122.211 122.211 119.728 2.483 18115
679 1 2 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.830 -0.174 18115
680 1 2 . 1 1 46 46 LEU C C 581 179.119 179.119 178.659 0.460 18115
681 1 2 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.219 0.215 18115
682 1 2 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.676 0.863 18115
683 1 2 . 1 1 46 46 LEU H H 581 9.012 9.012 8.729 0.283 18115
684 1 2 . 1 1 47 47 ASP N N 582 117.724 117.724 117.482 0.242 18115
685 1 2 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.311 -0.033 18115
686 1 2 . 1 1 47 47 ASP C C 582 177.154 177.154 178.229 -1.075 18115
687 1 2 . 1 1 47 47 ASP CA C 582 56.794 56.794 57.121 -0.327 18115
688 1 2 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.037 0.152 18115
689 1 2 . 1 1 47 47 ASP H H 582 7.665 7.665 7.804 -0.139 18115
690 1 2 . 1 1 48 48 ALA N N 583 118.604 118.604 120.224 -1.620 18115
691 1 2 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.169 0.119 18115
692 1 2 . 1 1 48 48 ALA C C 583 177.776 177.776 178.150 -0.374 18115
693 1 2 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.913 -1.560 18115
694 1 2 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.249 0.644 18115
695 1 2 . 1 1 48 48 ALA H H 583 7.129 7.129 7.375 -0.246 18115
696 1 2 . 1 1 49 49 ASN N N 584 118.883 118.883 116.707 2.176 18115
697 1 2 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.781 -0.110 18115
698 1 2 . 1 1 49 49 ASN C C 584 174.761 174.761 175.490 -0.729 18115
699 1 2 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.157 0.691 18115
700 1 2 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.274 -0.306 18115
701 1 2 . 1 1 49 49 ASN H H 584 7.284 7.284 8.024 -0.740 18115
702 1 2 . 1 1 50 50 THR N N 585 112.258 112.258 115.275 -3.017 18115
703 1 2 . 1 1 50 50 THR HA H 585 3.967 3.967 4.249 -0.282 18115
704 1 2 . 1 1 50 50 THR C C 585 175.787 175.787 175.114 0.673 18115
705 1 2 . 1 1 50 50 THR CA C 585 65.175 65.175 64.611 0.564 18115
706 1 2 . 1 1 50 50 THR CB C 585 69.336 69.336 68.850 0.486 18115
707 1 2 . 1 1 50 50 THR H H 585 7.615 7.615 7.807 -0.192 18115
708 1 2 . 1 1 51 51 LEU N N 586 120.550 120.550 119.589 0.961 18115
709 1 2 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.547 -0.004 18115
710 1 2 . 1 1 51 51 LEU C C 586 176.635 176.635 176.944 -0.309 18115
711 1 2 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.809 0.152 18115
712 1 2 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.517 0.555 18115
713 1 2 . 1 1 51 51 LEU H H 586 8.254 8.254 7.570 0.684 18115
714 1 2 . 1 1 52 52 ALA N N 587 123.048 123.048 123.537 -0.489 18115
715 1 2 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.129 -0.053 18115
716 1 2 . 1 1 52 52 ALA C C 587 176.356 176.356 177.082 -0.726 18115
717 1 2 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.076 0.520 18115
718 1 2 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.325 0.106 18115
719 1 2 . 1 1 52 52 ALA H H 587 7.124 7.124 7.341 -0.217 18115
720 1 2 . 1 1 53 53 GLU N N 588 118.471 118.471 120.221 -1.750 18115
721 1 2 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.471 -0.111 18115
722 1 2 . 1 1 53 53 GLU C C 588 177.945 177.945 178.330 -0.385 18115
723 1 2 . 1 1 53 53 GLU CA C 588 55.737 55.737 56.010 -0.273 18115
724 1 2 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.688 0.511 18115
725 1 2 . 1 1 53 53 GLU H H 588 8.429 8.429 8.383 0.046 18115
726 1 2 . 1 1 54 54 LYS N N 589 121.635 121.635 120.856 0.779 18115
727 1 2 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.212 -0.062 18115
728 1 2 . 1 1 54 54 LYS C C 589 178.445 178.445 178.348 0.097 18115
729 1 2 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.289 0.418 18115
730 1 2 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.192 0.598 18115
731 1 2 . 1 1 54 54 LYS H H 589 8.763 8.763 8.757 0.006 18115
732 1 2 . 1 1 55 55 ASP N N 590 116.537 116.537 119.844 -3.307 18115
733 1 2 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.513 -0.193 18115
734 1 2 . 1 1 55 55 ASP C C 590 178.649 178.649 178.932 -0.283 18115
735 1 2 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.640 -0.628 18115
736 1 2 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.980 0.109 18115
737 1 2 . 1 1 55 55 ASP H H 590 8.814 8.814 8.750 0.064 18115
738 1 2 . 1 1 56 56 GLU N N 591 119.611 119.611 120.002 -0.391 18115
739 1 2 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.158 -0.093 18115
740 1 2 . 1 1 56 56 GLU C C 591 179.582 179.582 178.854 0.728 18115
741 1 2 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.217 0.296 18115
742 1 2 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.320 0.493 18115
743 1 2 . 1 1 56 56 GLU H H 591 7.785 7.785 7.944 -0.159 18115
744 1 2 . 1 1 57 57 PHE N N 592 117.509 117.509 119.143 -1.634 18115
745 1 2 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.467 -0.242 18115
746 1 2 . 1 1 57 57 PHE C C 592 178.436 178.436 178.243 0.193 18115
747 1 2 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.633 -0.022 18115
748 1 2 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.666 0.168 18115
749 1 2 . 1 1 57 57 PHE H H 592 7.443 7.443 7.592 -0.149 18115
750 1 2 . 1 1 58 58 GLU N N 593 118.501 118.501 119.870 -1.369 18115
751 1 2 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.886 0.248 18115
752 1 2 . 1 1 58 58 GLU C C 593 178.855 178.855 178.900 -0.045 18115
753 1 2 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.943 -0.959 18115
754 1 2 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.470 -0.403 18115
755 1 2 . 1 1 58 58 GLU H H 593 7.952 7.952 8.850 -0.898 18115
756 1 2 . 1 1 59 59 HIS N N 594 118.563 118.563 118.412 0.151 18115
757 1 2 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.313 -0.100 18115
758 1 2 . 1 1 59 59 HIS C C 594 177.856 177.856 177.487 0.369 18115
759 1 2 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.893 -0.625 18115
760 1 2 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.732 -0.695 18115
761 1 2 . 1 1 59 59 HIS H H 594 8.126 8.126 8.382 -0.256 18115
762 1 2 . 1 1 60 60 LYS N N 595 119.034 119.034 120.602 -1.568 18115
763 1 2 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.845 -0.151 18115
764 1 2 . 1 1 60 60 LYS C C 595 178.057 178.057 178.526 -0.469 18115
765 1 2 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.215 -1.068 18115
766 1 2 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.653 -0.876 18115
767 1 2 . 1 1 60 60 LYS H H 595 7.733 7.733 7.747 -0.014 18115
768 1 2 . 1 1 61 61 ARG N N 596 120.071 120.071 119.062 1.009 18115
769 1 2 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.708 -0.060 18115
770 1 2 . 1 1 61 61 ARG C C 596 177.921 177.921 178.137 -0.216 18115
771 1 2 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.736 0.442 18115
772 1 2 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.998 -0.193 18115
773 1 2 . 1 1 61 61 ARG H H 596 8.167 8.167 8.487 -0.320 18115
774 1 2 . 1 1 62 62 LYS N N 597 118.731 118.731 118.423 0.308 18115
775 1 2 . 1 1 62 62 LYS HA H 597 3.886 3.886 3.963 -0.077 18115
776 1 2 . 1 1 62 62 LYS C C 597 178.963 178.963 178.979 -0.016 18115
777 1 2 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.666 0.571 18115
778 1 2 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.539 0.360 18115
779 1 2 . 1 1 62 62 LYS H H 597 7.948 7.948 7.535 0.413 18115
780 1 2 . 1 1 63 63 GLU N N 598 118.881 118.881 120.086 -1.205 18115
781 1 2 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.945 -0.069 18115
782 1 2 . 1 1 63 63 GLU C C 598 179.408 179.408 179.077 0.331 18115
783 1 2 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.170 0.215 18115
784 1 2 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.526 0.877 18115
785 1 2 . 1 1 63 63 GLU H H 598 7.794 7.794 7.784 0.010 18115
786 1 2 . 1 1 64 64 LEU N N 599 119.904 119.904 120.285 -0.381 18115
787 1 2 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.977 0.093 18115
788 1 2 . 1 1 64 64 LEU C C 599 178.814 178.814 179.154 -0.340 18115
789 1 2 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.717 0.279 18115
790 1 2 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.293 0.727 18115
791 1 2 . 1 1 64 64 LEU H H 599 7.800 7.800 8.451 -0.651 18115
792 1 2 . 1 1 65 65 GLU N N 600 122.446 122.446 120.670 1.776 18115
793 1 2 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.066 0.100 18115
794 1 2 . 1 1 65 65 GLU C C 600 178.550 178.550 178.934 -0.384 18115
795 1 2 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.599 0.132 18115
796 1 2 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.538 0.731 18115
797 1 2 . 1 1 65 65 GLU H H 600 8.948 8.948 8.296 0.652 18115
798 1 2 . 1 1 66 66 GLN N N 601 116.068 116.068 117.987 -1.919 18115
799 1 2 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.072 -0.121 18115
800 1 2 . 1 1 66 66 GLN C C 601 178.277 178.277 178.203 0.074 18115
801 1 2 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.358 0.168 18115
802 1 2 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.764 -0.142 18115
803 1 2 . 1 1 66 66 GLN H H 601 8.109 8.109 7.961 0.148 18115
804 1 2 . 1 1 67 67 VAL N N 602 116.121 116.121 120.221 -4.100 18115
805 1 2 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.923 -0.118 18115
806 1 2 . 1 1 67 67 VAL C C 602 177.423 177.423 177.197 0.226 18115
807 1 2 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.620 0.485 18115
808 1 2 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.080 1.097 18115
809 1 2 . 1 1 67 67 VAL H H 602 7.171 7.171 7.688 -0.517 18115
810 1 2 . 1 1 68 68 CYS N N 603 114.504 114.504 115.660 -1.156 18115
811 1 2 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.350 -0.352 18115
812 1 2 . 1 1 68 68 CYS C C 603 176.503 176.503 176.540 -0.037 18115
813 1 2 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.148 3.177 18115
814 1 2 . 1 1 68 68 CYS CB C 603 28.665 28.665 27.101 1.564 18115
815 1 2 . 1 1 68 68 CYS H H 603 8.138 8.138 8.150 -0.012 18115
816 1 2 . 1 1 69 69 ASN N N 604 119.915 119.915 121.855 -1.940 18115
817 1 2 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.527 0.047 18115
818 1 2 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.689 0.126 18115
819 1 2 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.474 -0.659 18115
820 1 2 . 1 1 69 69 ASN H H 604 9.045 9.045 8.720 0.325 18115
821 1 2 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.293 -0.022 18115
822 1 2 . 1 1 70 70 PRO C C 605 177.471 177.471 176.941 0.530 18115
823 1 2 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.314 0.356 18115
824 1 2 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.375 0.213 18115
825 1 2 . 1 1 71 71 ILE N N 606 115.752 115.752 113.458 2.294 18115
826 1 2 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.020 -0.202 18115
827 1 2 . 1 1 71 71 ILE C C 606 177.032 177.032 177.836 -0.804 18115
828 1 2 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.603 -0.285 18115
829 1 2 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.320 1.304 18115
830 1 2 . 1 1 71 71 ILE H H 606 6.851 6.851 7.315 -0.464 18115
831 1 2 . 1 1 72 72 ILE N N 607 116.042 116.042 122.930 -6.888 18115
832 1 2 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.754 0.252 18115
833 1 2 . 1 1 72 72 ILE C C 607 177.236 177.236 178.419 -1.183 18115
834 1 2 . 1 1 72 72 ILE CA C 607 61.726 61.726 64.193 -2.467 18115
835 1 2 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.394 0.908 18115
836 1 2 . 1 1 72 72 ILE H H 607 8.032 8.032 8.765 -0.733 18115
837 1 2 . 1 1 73 73 SER N N 608 115.855 115.855 116.473 -0.618 18115
838 1 2 . 1 1 73 73 SER HA H 608 4.277 4.277 4.276 0.001 18115
839 1 2 . 1 1 73 73 SER C C 608 175.111 175.111 175.624 -0.513 18115
840 1 2 . 1 1 73 73 SER CA C 608 60.134 60.134 61.087 -0.953 18115
841 1 2 . 1 1 73 73 SER CB C 608 63.480 63.480 62.895 0.585 18115
842 1 2 . 1 1 73 73 SER H H 608 8.001 8.001 8.615 -0.614 18115
843 1 2 . 1 1 74 74 GLY N N 609 109.991 109.991 107.588 2.403 18115
844 1 2 . 1 1 74 74 GLY C C 609 173.508 173.508 173.749 -0.241 18115
845 1 2 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.828 0.487 18115
846 1 2 . 1 1 74 74 GLY H H 609 7.924 7.924 7.685 0.239 18115
847 1 3 . 1 1 3 3 ALA N N 538 127.340 127.340 124.535 2.805 18115
848 1 3 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.996 0.111 18115
849 1 3 . 1 1 3 3 ALA C C 538 179.658 179.658 178.459 1.199 18115
850 1 3 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.581 0.209 18115
851 1 3 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.951 -0.344 18115
852 1 3 . 1 1 3 3 ALA H H 538 8.781 8.781 7.948 0.833 18115
853 1 3 . 1 1 4 4 LYS N N 539 120.439 120.439 117.714 2.725 18115
854 1 3 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.172 0.093 18115
855 1 3 . 1 1 4 4 LYS C C 539 177.428 177.428 177.808 -0.380 18115
856 1 3 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.699 1.042 18115
857 1 3 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.352 0.890 18115
858 1 3 . 1 1 4 4 LYS H H 539 8.006 8.006 7.881 0.125 18115
859 1 3 . 1 1 5 5 ASN N N 540 117.109 117.109 117.231 -0.122 18115
860 1 3 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.361 0.020 18115
861 1 3 . 1 1 5 5 ASN C C 540 177.598 177.598 177.575 0.023 18115
862 1 3 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.112 -0.354 18115
863 1 3 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.529 0.756 18115
864 1 3 . 1 1 5 5 ASN H H 540 7.789 7.789 7.504 0.285 18115
865 1 3 . 1 1 6 6 ALA N N 541 122.489 122.489 123.645 -1.156 18115
866 1 3 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.137 -0.033 18115
867 1 3 . 1 1 6 6 ALA C C 541 180.393 180.393 179.974 0.419 18115
868 1 3 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.094 -0.058 18115
869 1 3 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.354 -0.199 18115
870 1 3 . 1 1 6 6 ALA H H 541 8.209 8.209 7.690 0.519 18115
871 1 3 . 1 1 7 7 LEU N N 542 120.603 120.603 120.208 0.395 18115
872 1 3 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.114 0.079 18115
873 1 3 . 1 1 7 7 LEU C C 542 177.015 177.015 178.859 -1.844 18115
874 1 3 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.128 -0.173 18115
875 1 3 . 1 1 7 7 LEU CB C 542 41.223 41.223 41.166 0.057 18115
876 1 3 . 1 1 7 7 LEU H H 542 7.775 7.775 8.307 -0.532 18115
877 1 3 . 1 1 8 8 GLU N N 543 119.550 119.550 120.115 -0.565 18115
878 1 3 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.102 -0.547 18115
879 1 3 . 1 1 8 8 GLU C C 543 177.949 177.949 179.062 -1.113 18115
880 1 3 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.293 0.019 18115
881 1 3 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.889 0.536 18115
882 1 3 . 1 1 8 8 GLU H H 543 8.418 8.418 8.848 -0.430 18115
883 1 3 . 1 1 9 9 SER N N 544 112.181 112.181 115.996 -3.815 18115
884 1 3 . 1 1 9 9 SER HA H 544 4.192 4.192 4.144 0.048 18115
885 1 3 . 1 1 9 9 SER C C 544 176.285 176.285 176.732 -0.447 18115
886 1 3 . 1 1 9 9 SER CA C 544 61.890 61.890 62.111 -0.221 18115
887 1 3 . 1 1 9 9 SER CB C 544 63.000 63.000 62.950 0.050 18115
888 1 3 . 1 1 9 9 SER H H 544 8.313 8.313 8.241 0.072 18115
889 1 3 . 1 1 10 10 TYR N N 545 122.309 122.309 123.295 -0.986 18115
890 1 3 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.172 0.217 18115
891 1 3 . 1 1 10 10 TYR C C 545 177.193 177.193 176.954 0.239 18115
892 1 3 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.519 -0.177 18115
893 1 3 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.318 0.569 18115
894 1 3 . 1 1 10 10 TYR H H 545 7.811 7.811 8.026 -0.215 18115
895 1 3 . 1 1 11 11 ALA N N 546 120.404 120.404 122.372 -1.968 18115
896 1 3 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.183 -0.394 18115
897 1 3 . 1 1 11 11 ALA C C 546 179.480 179.480 179.731 -0.251 18115
898 1 3 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.913 0.775 18115
899 1 3 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.238 -0.613 18115
900 1 3 . 1 1 11 11 ALA H H 546 8.456 8.456 8.362 0.094 18115
901 1 3 . 1 1 12 12 PHE N N 547 116.158 116.158 118.326 -2.168 18115
902 1 3 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.103 0.042 18115
903 1 3 . 1 1 12 12 PHE C C 547 179.133 179.133 177.897 1.236 18115
904 1 3 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.529 -1.116 18115
905 1 3 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.542 -0.262 18115
906 1 3 . 1 1 12 12 PHE H H 547 8.430 8.430 9.200 -0.770 18115
907 1 3 . 1 1 13 13 ASN N N 548 120.231 120.231 118.372 1.859 18115
908 1 3 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.466 -0.047 18115
909 1 3 . 1 1 13 13 ASN C C 548 178.326 178.326 177.973 0.353 18115
910 1 3 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.309 -0.358 18115
911 1 3 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.126 -0.172 18115
912 1 3 . 1 1 13 13 ASN H H 548 8.654 8.654 8.479 0.175 18115
913 1 3 . 1 1 14 14 MET N N 549 121.990 121.990 118.582 3.408 18115
914 1 3 . 1 1 14 14 MET HA H 549 4.278 4.278 4.227 0.051 18115
915 1 3 . 1 1 14 14 MET C C 549 176.929 176.929 178.231 -1.302 18115
916 1 3 . 1 1 14 14 MET CA C 549 57.182 57.182 57.638 -0.456 18115
917 1 3 . 1 1 14 14 MET CB C 549 32.998 32.998 31.832 1.166 18115
918 1 3 . 1 1 14 14 MET H H 549 8.331 8.331 8.251 0.080 18115
919 1 3 . 1 1 15 15 LYS N N 550 119.946 119.946 121.008 -1.062 18115
920 1 3 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.882 -0.167 18115
921 1 3 . 1 1 15 15 LYS C C 550 177.879 177.879 179.009 -1.130 18115
922 1 3 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.232 -0.261 18115
923 1 3 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.174 0.636 18115
924 1 3 . 1 1 15 15 LYS H H 550 7.731 7.731 8.431 -0.700 18115
925 1 3 . 1 1 16 16 SER N N 551 111.477 111.477 114.721 -3.244 18115
926 1 3 . 1 1 16 16 SER HA H 551 4.093 4.093 4.214 -0.121 18115
927 1 3 . 1 1 16 16 SER C C 551 177.031 177.031 176.168 0.863 18115
928 1 3 . 1 1 16 16 SER CA C 551 61.173 61.173 60.841 0.332 18115
929 1 3 . 1 1 16 16 SER CB C 551 63.007 63.007 62.963 0.044 18115
930 1 3 . 1 1 16 16 SER H H 551 7.766 7.766 8.300 -0.534 18115
931 1 3 . 1 1 17 17 ALA N N 552 123.689 123.689 122.573 1.116 18115
932 1 3 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.149 -0.066 18115
933 1 3 . 1 1 17 17 ALA C C 552 180.384 180.384 179.887 0.497 18115
934 1 3 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.676 0.612 18115
935 1 3 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.684 -0.519 18115
936 1 3 . 1 1 17 17 ALA H H 552 8.089 8.089 7.806 0.283 18115
937 1 3 . 1 1 18 18 VAL N N 553 109.294 109.294 113.476 -4.182 18115
938 1 3 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.850 0.166 18115
939 1 3 . 1 1 18 18 VAL C C 553 176.352 176.352 177.404 -1.052 18115
940 1 3 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.147 -1.389 18115
941 1 3 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.963 -0.311 18115
942 1 3 . 1 1 18 18 VAL H H 553 7.560 7.560 7.596 -0.036 18115
943 1 3 . 1 1 19 19 GLU N N 554 118.414 118.414 118.050 0.364 18115
944 1 3 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.209 0.006 18115
945 1 3 . 1 1 19 19 GLU C C 554 176.794 176.794 176.733 0.061 18115
946 1 3 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.298 0.446 18115
947 1 3 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.246 0.913 18115
948 1 3 . 1 1 19 19 GLU H H 554 7.389 7.389 7.752 -0.363 18115
949 1 3 . 1 1 20 20 ASP N N 555 120.735 120.735 120.144 0.591 18115
950 1 3 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.510 -0.143 18115
951 1 3 . 1 1 20 20 ASP C C 555 178.171 178.171 177.219 0.952 18115
952 1 3 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.290 1.577 18115
953 1 3 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.484 0.390 18115
954 1 3 . 1 1 20 20 ASP H H 555 7.224 7.224 7.231 -0.007 18115
955 1 3 . 1 1 21 21 GLU N N 556 126.927 126.927 124.165 2.762 18115
956 1 3 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.110 -0.129 18115
957 1 3 . 1 1 21 21 GLU C C 556 178.691 178.691 177.109 1.582 18115
958 1 3 . 1 1 21 21 GLU CA C 556 59.144 59.144 58.130 1.014 18115
959 1 3 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.604 -0.054 18115
960 1 3 . 1 1 21 21 GLU H H 556 9.007 9.007 8.875 0.132 18115
961 1 3 . 1 1 22 22 GLY N N 557 108.255 108.255 105.937 2.318 18115
962 1 3 . 1 1 22 22 GLY C C 557 175.344 175.344 175.282 0.062 18115
963 1 3 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.348 1.060 18115
964 1 3 . 1 1 22 22 GLY H H 557 9.031 9.031 8.433 0.598 18115
965 1 3 . 1 1 23 23 LEU N N 558 119.463 119.463 121.017 -1.554 18115
966 1 3 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.412 -0.066 18115
967 1 3 . 1 1 23 23 LEU C C 558 177.893 177.893 176.680 1.213 18115
968 1 3 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.451 0.469 18115
969 1 3 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.474 -0.088 18115
970 1 3 . 1 1 23 23 LEU H H 558 7.606 7.606 7.967 -0.361 18115
971 1 3 . 1 1 24 24 LYS N N 559 120.994 120.994 120.162 0.832 18115
972 1 3 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.176 -0.104 18115
973 1 3 . 1 1 24 24 LYS C C 559 177.830 177.830 176.862 0.968 18115
974 1 3 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.610 0.867 18115
975 1 3 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.308 1.050 18115
976 1 3 . 1 1 24 24 LYS H H 559 7.572 7.572 7.683 -0.111 18115
977 1 3 . 1 1 25 25 GLY N N 560 111.895 111.895 114.165 -2.270 18115
978 1 3 . 1 1 25 25 GLY C C 560 174.451 174.451 175.288 -0.837 18115
979 1 3 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.133 0.453 18115
980 1 3 . 1 1 25 25 GLY H H 560 8.770 8.770 8.272 0.498 18115
981 1 3 . 1 1 26 26 LYS N N 561 118.925 118.925 120.922 -1.997 18115
982 1 3 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.315 0.021 18115
983 1 3 . 1 1 26 26 LYS C C 561 175.860 175.860 176.573 -0.713 18115
984 1 3 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.540 -0.674 18115
985 1 3 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.402 0.799 18115
986 1 3 . 1 1 26 26 LYS H H 561 8.116 8.116 7.982 0.134 18115
987 1 3 . 1 1 27 27 ILE N N 562 116.463 116.463 118.959 -2.496 18115
988 1 3 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.324 0.174 18115
989 1 3 . 1 1 27 27 ILE C C 562 174.838 174.838 174.266 0.572 18115
990 1 3 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.559 -0.171 18115
991 1 3 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.654 0.015 18115
992 1 3 . 1 1 27 27 ILE H H 562 7.430 7.430 7.365 0.065 18115
993 1 3 . 1 1 28 28 SER N N 563 124.501 124.501 119.908 4.593 18115
994 1 3 . 1 1 28 28 SER HA H 563 4.404 4.404 4.576 -0.172 18115
995 1 3 . 1 1 28 28 SER C C 563 174.870 174.870 175.427 -0.557 18115
996 1 3 . 1 1 28 28 SER CA C 563 57.432 57.432 58.216 -0.784 18115
997 1 3 . 1 1 28 28 SER CB C 563 64.793 64.793 64.482 0.311 18115
998 1 3 . 1 1 28 28 SER H H 563 9.375 9.375 8.595 0.780 18115
999 1 3 . 1 1 29 29 GLU N N 564 122.048 122.048 125.417 -3.369 18115
1000 1 3 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.931 -0.031 18115
1001 1 3 . 1 1 29 29 GLU C C 564 179.396 179.396 178.382 1.014 18115
1002 1 3 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.626 0.089 18115
1003 1 3 . 1 1 29 29 GLU CB C 564 29.218 29.218 28.530 0.688 18115
1004 1 3 . 1 1 29 29 GLU H H 564 8.970 8.970 8.994 -0.024 18115
1005 1 3 . 1 1 30 30 ALA N N 565 120.829 120.829 121.856 -1.027 18115
1006 1 3 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.059 -0.013 18115
1007 1 3 . 1 1 30 30 ALA C C 565 180.524 180.524 179.792 0.732 18115
1008 1 3 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.018 0.020 18115
1009 1 3 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.753 0.710 18115
1010 1 3 . 1 1 30 30 ALA H H 565 8.465 8.465 8.332 0.133 18115
1011 1 3 . 1 1 31 31 ASP N N 566 121.111 121.111 118.659 2.452 18115
1012 1 3 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.297 0.142 18115
1013 1 3 . 1 1 31 31 ASP C C 566 177.738 177.738 178.384 -0.646 18115
1014 1 3 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.870 -0.564 18115
1015 1 3 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.507 -0.552 18115
1016 1 3 . 1 1 31 31 ASP H H 566 7.835 7.835 8.388 -0.553 18115
1017 1 3 . 1 1 32 32 LYS N N 567 121.278 121.278 121.113 0.165 18115
1018 1 3 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.860 -0.267 18115
1019 1 3 . 1 1 32 32 LYS C C 567 177.700 177.700 178.884 -1.184 18115
1020 1 3 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.786 0.767 18115
1021 1 3 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.416 0.180 18115
1022 1 3 . 1 1 32 32 LYS H H 567 8.379 8.379 8.337 0.042 18115
1023 1 3 . 1 1 33 33 LYS N N 568 117.531 117.531 118.483 -0.952 18115
1024 1 3 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.964 -0.125 18115
1025 1 3 . 1 1 33 33 LYS C C 568 177.391 177.391 178.848 -1.457 18115
1026 1 3 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.784 -0.377 18115
1027 1 3 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.525 -0.044 18115
1028 1 3 . 1 1 33 33 LYS H H 568 7.846 7.846 8.242 -0.396 18115
1029 1 3 . 1 1 34 34 LYS N N 569 118.376 118.376 119.641 -1.265 18115
1030 1 3 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.018 -0.019 18115
1031 1 3 . 1 1 34 34 LYS C C 569 180.064 180.064 178.996 1.068 18115
1032 1 3 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.326 0.627 18115
1033 1 3 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.136 0.718 18115
1034 1 3 . 1 1 34 34 LYS H H 569 7.647 7.647 8.120 -0.473 18115
1035 1 3 . 1 1 35 35 VAL N N 570 118.353 118.353 120.828 -2.475 18115
1036 1 3 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.756 -0.282 18115
1037 1 3 . 1 1 35 35 VAL C C 570 178.019 178.019 177.478 0.541 18115
1038 1 3 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.816 1.136 18115
1039 1 3 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.079 0.454 18115
1040 1 3 . 1 1 35 35 VAL H H 570 7.638 7.638 7.755 -0.117 18115
1041 1 3 . 1 1 36 36 LEU N N 571 120.671 120.671 121.340 -0.669 18115
1042 1 3 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.847 -0.057 18115
1043 1 3 . 1 1 36 36 LEU C C 571 180.444 180.444 179.042 1.402 18115
1044 1 3 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.724 0.189 18115
1045 1 3 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.341 -0.133 18115
1046 1 3 . 1 1 36 36 LEU H H 571 8.693 8.693 8.112 0.581 18115
1047 1 3 . 1 1 37 37 ASP N N 572 120.071 120.071 119.163 0.908 18115
1048 1 3 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.284 0.035 18115
1049 1 3 . 1 1 37 37 ASP C C 572 179.345 179.345 178.428 0.917 18115
1050 1 3 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.820 -0.537 18115
1051 1 3 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.840 -1.163 18115
1052 1 3 . 1 1 37 37 ASP H H 572 9.265 9.265 8.576 0.689 18115
1053 1 3 . 1 1 38 38 LYS N N 573 121.858 121.858 120.883 0.975 18115
1054 1 3 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.353 -0.093 18115
1055 1 3 . 1 1 38 38 LYS C C 573 178.856 178.856 178.835 0.021 18115
1056 1 3 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.459 -1.397 18115
1057 1 3 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.885 -0.899 18115
1058 1 3 . 1 1 38 38 LYS H H 573 7.674 7.674 8.029 -0.355 18115
1059 1 3 . 1 1 39 39 CYS N N 574 117.635 117.635 118.701 -1.066 18115
1060 1 3 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.107 -0.244 18115
1061 1 3 . 1 1 39 39 CYS C C 574 176.479 176.479 177.038 -0.559 18115
1062 1 3 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.356 1.214 18115
1063 1 3 . 1 1 39 39 CYS CB C 574 26.680 26.680 27.037 -0.357 18115
1064 1 3 . 1 1 39 39 CYS H H 574 8.818 8.818 8.676 0.142 18115
1065 1 3 . 1 1 40 40 GLN N N 575 118.089 118.089 119.545 -1.456 18115
1066 1 3 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.027 -0.068 18115
1067 1 3 . 1 1 40 40 GLN C C 575 178.023 178.023 178.653 -0.630 18115
1068 1 3 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.967 -0.298 18115
1069 1 3 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.301 -0.211 18115
1070 1 3 . 1 1 40 40 GLN H H 575 8.203 8.203 8.361 -0.158 18115
1071 1 3 . 1 1 41 41 GLU N N 576 121.535 121.535 120.908 0.627 18115
1072 1 3 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.101 -0.109 18115
1073 1 3 . 1 1 41 41 GLU C C 576 179.586 179.586 179.624 -0.038 18115
1074 1 3 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.406 0.483 18115
1075 1 3 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.622 0.391 18115
1076 1 3 . 1 1 41 41 GLU H H 576 8.074 8.074 8.170 -0.096 18115
1077 1 3 . 1 1 42 42 VAL N N 577 120.038 120.038 120.429 -0.391 18115
1078 1 3 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.821 -0.110 18115
1079 1 3 . 1 1 42 42 VAL C C 577 177.102 177.102 177.528 -0.426 18115
1080 1 3 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.720 1.400 18115
1081 1 3 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.878 -0.346 18115
1082 1 3 . 1 1 42 42 VAL H H 577 8.144 8.144 8.239 -0.095 18115
1083 1 3 . 1 1 43 43 ILE N N 578 122.306 122.306 120.518 1.788 18115
1084 1 3 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.804 -0.107 18115
1085 1 3 . 1 1 43 43 ILE C C 578 178.491 178.491 177.713 0.778 18115
1086 1 3 . 1 1 43 43 ILE CA C 578 65.618 65.618 65.860 -0.242 18115
1087 1 3 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.814 -0.127 18115
1088 1 3 . 1 1 43 43 ILE H H 578 8.504 8.504 8.502 0.002 18115
1089 1 3 . 1 1 44 44 SER N N 579 115.928 115.928 115.893 0.035 18115
1090 1 3 . 1 1 44 44 SER HA H 579 4.265 4.265 4.291 -0.026 18115
1091 1 3 . 1 1 44 44 SER C C 579 177.129 177.129 176.498 0.631 18115
1092 1 3 . 1 1 44 44 SER CA C 579 62.208 62.208 60.913 1.295 18115
1093 1 3 . 1 1 44 44 SER CB C 579 62.906 62.906 62.463 0.443 18115
1094 1 3 . 1 1 44 44 SER H H 579 8.562 8.562 8.610 -0.048 18115
1095 1 3 . 1 1 45 45 TRP N N 580 124.917 124.917 124.250 0.667 18115
1096 1 3 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.420 -0.379 18115
1097 1 3 . 1 1 45 45 TRP C C 580 179.278 179.278 177.628 1.650 18115
1098 1 3 . 1 1 45 45 TRP CA C 580 62.505 62.505 60.634 1.871 18115
1099 1 3 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.674 -1.156 18115
1100 1 3 . 1 1 45 45 TRP H H 580 8.406 8.406 7.996 0.410 18115
1101 1 3 . 1 1 46 46 LEU N N 581 122.211 122.211 119.887 2.324 18115
1102 1 3 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.832 -0.176 18115
1103 1 3 . 1 1 46 46 LEU C C 581 179.119 179.119 179.313 -0.194 18115
1104 1 3 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.193 0.241 18115
1105 1 3 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.653 0.886 18115
1106 1 3 . 1 1 46 46 LEU H H 581 9.012 9.012 8.384 0.628 18115
1107 1 3 . 1 1 47 47 ASP N N 582 117.724 117.724 119.292 -1.568 18115
1108 1 3 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.385 -0.107 18115
1109 1 3 . 1 1 47 47 ASP C C 582 177.154 177.154 177.001 0.153 18115
1110 1 3 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.632 0.162 18115
1111 1 3 . 1 1 47 47 ASP CB C 582 41.189 41.189 40.917 0.272 18115
1112 1 3 . 1 1 47 47 ASP H H 582 7.665 7.665 8.088 -0.423 18115
1113 1 3 . 1 1 48 48 ALA N N 583 118.604 118.604 118.542 0.062 18115
1114 1 3 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.235 0.053 18115
1115 1 3 . 1 1 48 48 ALA C C 583 177.776 177.776 176.706 1.070 18115
1116 1 3 . 1 1 48 48 ALA CA C 583 52.353 52.353 52.367 -0.014 18115
1117 1 3 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.332 0.561 18115
1118 1 3 . 1 1 48 48 ALA H H 583 7.129 7.129 7.091 0.038 18115
1119 1 3 . 1 1 49 49 ASN N N 584 118.883 118.883 116.326 2.557 18115
1120 1 3 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.685 -0.014 18115
1121 1 3 . 1 1 49 49 ASN C C 584 174.761 174.761 176.553 -1.792 18115
1122 1 3 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.138 0.710 18115
1123 1 3 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.337 -0.369 18115
1124 1 3 . 1 1 49 49 ASN H H 584 7.284 7.284 7.580 -0.296 18115
1125 1 3 . 1 1 50 50 THR N N 585 112.258 112.258 114.219 -1.961 18115
1126 1 3 . 1 1 50 50 THR HA H 585 3.967 3.967 4.226 -0.259 18115
1127 1 3 . 1 1 50 50 THR C C 585 175.787 175.787 174.590 1.197 18115
1128 1 3 . 1 1 50 50 THR CA C 585 65.175 65.175 64.527 0.648 18115
1129 1 3 . 1 1 50 50 THR CB C 585 69.336 69.336 68.572 0.764 18115
1130 1 3 . 1 1 50 50 THR H H 585 7.615 7.615 8.476 -0.861 18115
1131 1 3 . 1 1 51 51 LEU N N 586 120.550 120.550 119.832 0.718 18115
1132 1 3 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.684 -0.141 18115
1133 1 3 . 1 1 51 51 LEU C C 586 176.635 176.635 176.660 -0.025 18115
1134 1 3 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.384 0.577 18115
1135 1 3 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.977 0.095 18115
1136 1 3 . 1 1 51 51 LEU H H 586 8.254 8.254 7.536 0.718 18115
1137 1 3 . 1 1 52 52 ALA N N 587 123.048 123.048 123.317 -0.269 18115
1138 1 3 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.016 0.060 18115
1139 1 3 . 1 1 52 52 ALA C C 587 176.356 176.356 177.056 -0.700 18115
1140 1 3 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.284 0.312 18115
1141 1 3 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.041 0.390 18115
1142 1 3 . 1 1 52 52 ALA H H 587 7.124 7.124 7.544 -0.420 18115
1143 1 3 . 1 1 53 53 GLU N N 588 118.471 118.471 121.013 -2.542 18115
1144 1 3 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.217 0.143 18115
1145 1 3 . 1 1 53 53 GLU C C 588 177.945 177.945 178.304 -0.359 18115
1146 1 3 . 1 1 53 53 GLU CA C 588 55.737 55.737 56.819 -1.082 18115
1147 1 3 . 1 1 53 53 GLU CB C 588 31.199 31.199 29.862 1.337 18115
1148 1 3 . 1 1 53 53 GLU H H 588 8.429 8.429 8.495 -0.066 18115
1149 1 3 . 1 1 54 54 LYS N N 589 121.635 121.635 123.653 -2.018 18115
1150 1 3 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.380 -0.230 18115
1151 1 3 . 1 1 54 54 LYS C C 589 178.445 178.445 177.807 0.638 18115
1152 1 3 . 1 1 54 54 LYS CA C 589 60.707 60.707 59.877 0.830 18115
1153 1 3 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.135 0.656 18115
1154 1 3 . 1 1 54 54 LYS H H 589 8.763 8.763 8.742 0.021 18115
1155 1 3 . 1 1 55 55 ASP N N 590 116.537 116.537 119.450 -2.913 18115
1156 1 3 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.278 0.042 18115
1157 1 3 . 1 1 55 55 ASP C C 590 178.649 178.649 178.225 0.424 18115
1158 1 3 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.693 -0.681 18115
1159 1 3 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.906 0.183 18115
1160 1 3 . 1 1 55 55 ASP H H 590 8.814 8.814 8.617 0.197 18115
1161 1 3 . 1 1 56 56 GLU N N 591 119.611 119.611 120.173 -0.562 18115
1162 1 3 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.194 -0.129 18115
1163 1 3 . 1 1 56 56 GLU C C 591 179.582 179.582 178.743 0.839 18115
1164 1 3 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.123 0.390 18115
1165 1 3 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.429 0.384 18115
1166 1 3 . 1 1 56 56 GLU H H 591 7.785 7.785 7.897 -0.112 18115
1167 1 3 . 1 1 57 57 PHE N N 592 117.509 117.509 117.339 0.170 18115
1168 1 3 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.414 -0.189 18115
1169 1 3 . 1 1 57 57 PHE C C 592 178.436 178.436 178.112 0.324 18115
1170 1 3 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.738 -0.127 18115
1171 1 3 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.432 0.402 18115
1172 1 3 . 1 1 57 57 PHE H H 592 7.443 7.443 7.441 0.002 18115
1173 1 3 . 1 1 58 58 GLU N N 593 118.501 118.501 120.068 -1.567 18115
1174 1 3 . 1 1 58 58 GLU HA H 593 4.134 4.134 4.014 0.120 18115
1175 1 3 . 1 1 58 58 GLU C C 593 178.855 178.855 179.204 -0.349 18115
1176 1 3 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.516 -0.532 18115
1177 1 3 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.989 0.078 18115
1178 1 3 . 1 1 58 58 GLU H H 593 7.952 7.952 7.938 0.014 18115
1179 1 3 . 1 1 59 59 HIS N N 594 118.563 118.563 119.120 -0.557 18115
1180 1 3 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.224 -0.011 18115
1181 1 3 . 1 1 59 59 HIS C C 594 177.856 177.856 177.757 0.099 18115
1182 1 3 . 1 1 59 59 HIS CA C 594 59.268 59.268 58.888 0.380 18115
1183 1 3 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.815 -0.778 18115
1184 1 3 . 1 1 59 59 HIS H H 594 8.126 8.126 8.310 -0.184 18115
1185 1 3 . 1 1 60 60 LYS N N 595 119.034 119.034 119.554 -0.520 18115
1186 1 3 . 1 1 60 60 LYS HA H 595 3.694 3.694 4.047 -0.353 18115
1187 1 3 . 1 1 60 60 LYS C C 595 178.057 178.057 178.540 -0.483 18115
1188 1 3 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.314 -1.167 18115
1189 1 3 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.613 -0.836 18115
1190 1 3 . 1 1 60 60 LYS H H 595 7.733 7.733 8.381 -0.648 18115
1191 1 3 . 1 1 61 61 ARG N N 596 120.071 120.071 119.217 0.854 18115
1192 1 3 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.706 -0.058 18115
1193 1 3 . 1 1 61 61 ARG C C 596 177.921 177.921 178.228 -0.307 18115
1194 1 3 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.664 0.514 18115
1195 1 3 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.932 -0.127 18115
1196 1 3 . 1 1 61 61 ARG H H 596 8.167 8.167 7.857 0.310 18115
1197 1 3 . 1 1 62 62 LYS N N 597 118.731 118.731 118.400 0.331 18115
1198 1 3 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.025 -0.139 18115
1199 1 3 . 1 1 62 62 LYS C C 597 178.963 178.963 179.066 -0.103 18115
1200 1 3 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.401 0.836 18115
1201 1 3 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.537 0.362 18115
1202 1 3 . 1 1 62 62 LYS H H 597 7.948 7.948 7.633 0.315 18115
1203 1 3 . 1 1 63 63 GLU N N 598 118.881 118.881 120.715 -1.834 18115
1204 1 3 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.954 -0.078 18115
1205 1 3 . 1 1 63 63 GLU C C 598 179.408 179.408 179.045 0.363 18115
1206 1 3 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.144 0.241 18115
1207 1 3 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.504 0.899 18115
1208 1 3 . 1 1 63 63 GLU H H 598 7.794 7.794 8.103 -0.309 18115
1209 1 3 . 1 1 64 64 LEU N N 599 119.904 119.904 120.286 -0.382 18115
1210 1 3 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.991 0.079 18115
1211 1 3 . 1 1 64 64 LEU C C 599 178.814 178.814 178.541 0.273 18115
1212 1 3 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.858 0.137 18115
1213 1 3 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.438 0.583 18115
1214 1 3 . 1 1 64 64 LEU H H 599 7.800 7.800 8.469 -0.669 18115
1215 1 3 . 1 1 65 65 GLU N N 600 122.446 122.446 119.765 2.681 18115
1216 1 3 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.123 0.043 18115
1217 1 3 . 1 1 65 65 GLU C C 600 178.550 178.550 179.858 -1.308 18115
1218 1 3 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.421 0.310 18115
1219 1 3 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.533 0.736 18115
1220 1 3 . 1 1 65 65 GLU H H 600 8.948 8.948 8.231 0.717 18115
1221 1 3 . 1 1 66 66 GLN N N 601 116.068 116.068 118.377 -2.309 18115
1222 1 3 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.087 -0.136 18115
1223 1 3 . 1 1 66 66 GLN C C 601 178.277 178.277 178.275 0.002 18115
1224 1 3 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.283 0.242 18115
1225 1 3 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.825 -0.203 18115
1226 1 3 . 1 1 66 66 GLN H H 601 8.109 8.109 7.797 0.312 18115
1227 1 3 . 1 1 67 67 VAL N N 602 116.121 116.121 118.734 -2.613 18115
1228 1 3 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.931 -0.126 18115
1229 1 3 . 1 1 67 67 VAL C C 602 177.423 177.423 177.133 0.290 18115
1230 1 3 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.829 0.276 18115
1231 1 3 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.016 1.161 18115
1232 1 3 . 1 1 67 67 VAL H H 602 7.171 7.171 7.610 -0.439 18115
1233 1 3 . 1 1 68 68 CYS N N 603 114.504 114.504 115.128 -0.624 18115
1234 1 3 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.411 -0.413 18115
1235 1 3 . 1 1 68 68 CYS C C 603 176.503 176.503 176.354 0.149 18115
1236 1 3 . 1 1 68 68 CYS CA C 603 63.325 63.325 58.825 4.500 18115
1237 1 3 . 1 1 68 68 CYS CB C 603 28.665 28.665 27.020 1.645 18115
1238 1 3 . 1 1 68 68 CYS H H 603 8.138 8.138 8.100 0.038 18115
1239 1 3 . 1 1 69 69 ASN N N 604 119.915 119.915 121.466 -1.551 18115
1240 1 3 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.512 0.062 18115
1241 1 3 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.589 0.226 18115
1242 1 3 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.609 -0.794 18115
1243 1 3 . 1 1 69 69 ASN H H 604 9.045 9.045 8.573 0.472 18115
1244 1 3 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.312 -0.041 18115
1245 1 3 . 1 1 70 70 PRO C C 605 177.471 177.471 177.148 0.323 18115
1246 1 3 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.060 0.610 18115
1247 1 3 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.500 0.088 18115
1248 1 3 . 1 1 71 71 ILE N N 606 115.752 115.752 114.420 1.332 18115
1249 1 3 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.075 -0.257 18115
1250 1 3 . 1 1 71 71 ILE C C 606 177.032 177.032 177.635 -0.603 18115
1251 1 3 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.680 -0.362 18115
1252 1 3 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.581 1.044 18115
1253 1 3 . 1 1 71 71 ILE H H 606 6.851 6.851 7.380 -0.529 18115
1254 1 3 . 1 1 72 72 ILE N N 607 116.042 116.042 122.410 -6.368 18115
1255 1 3 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.734 0.272 18115
1256 1 3 . 1 1 72 72 ILE C C 607 177.236 177.236 178.092 -0.856 18115
1257 1 3 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.694 -1.968 18115
1258 1 3 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.298 1.004 18115
1259 1 3 . 1 1 72 72 ILE H H 607 8.032 8.032 8.639 -0.607 18115
1260 1 3 . 1 1 73 73 SER N N 608 115.855 115.855 116.278 -0.423 18115
1261 1 3 . 1 1 73 73 SER HA H 608 4.277 4.277 4.219 0.058 18115
1262 1 3 . 1 1 73 73 SER C C 608 175.111 175.111 175.630 -0.519 18115
1263 1 3 . 1 1 73 73 SER CA C 608 60.134 60.134 60.921 -0.787 18115
1264 1 3 . 1 1 73 73 SER CB C 608 63.480 63.480 63.273 0.207 18115
1265 1 3 . 1 1 73 73 SER H H 608 8.001 8.001 7.994 0.007 18115
1266 1 3 . 1 1 74 74 GLY N N 609 109.991 109.991 107.596 2.395 18115
1267 1 3 . 1 1 74 74 GLY C C 609 173.508 173.508 173.635 -0.127 18115
1268 1 3 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.819 0.496 18115
1269 1 3 . 1 1 74 74 GLY H H 609 7.924 7.924 7.676 0.248 18115
1270 1 4 . 1 1 3 3 ALA N N 538 127.340 127.340 126.204 1.136 18115
1271 1 4 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.988 0.119 18115
1272 1 4 . 1 1 3 3 ALA C C 538 179.658 179.658 178.487 1.171 18115
1273 1 4 . 1 1 3 3 ALA CA C 538 54.791 54.791 55.018 -0.227 18115
1274 1 4 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.952 -0.345 18115
1275 1 4 . 1 1 3 3 ALA H H 538 8.781 8.781 8.262 0.519 18115
1276 1 4 . 1 1 4 4 LYS N N 539 120.439 120.439 118.435 2.004 18115
1277 1 4 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.538 -0.273 18115
1278 1 4 . 1 1 4 4 LYS C C 539 177.428 177.428 177.868 -0.440 18115
1279 1 4 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.681 1.060 18115
1280 1 4 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.251 0.991 18115
1281 1 4 . 1 1 4 4 LYS H H 539 8.006 8.006 7.831 0.175 18115
1282 1 4 . 1 1 5 5 ASN N N 540 117.109 117.109 116.545 0.564 18115
1283 1 4 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.403 -0.022 18115
1284 1 4 . 1 1 5 5 ASN C C 540 177.598 177.598 177.483 0.115 18115
1285 1 4 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.033 -0.275 18115
1286 1 4 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.606 0.680 18115
1287 1 4 . 1 1 5 5 ASN H H 540 7.789 7.789 8.182 -0.393 18115
1288 1 4 . 1 1 6 6 ALA N N 541 122.489 122.489 123.648 -1.159 18115
1289 1 4 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.166 -0.062 18115
1290 1 4 . 1 1 6 6 ALA C C 541 180.393 180.393 179.907 0.486 18115
1291 1 4 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.088 -0.052 18115
1292 1 4 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.470 -0.315 18115
1293 1 4 . 1 1 6 6 ALA H H 541 8.209 8.209 8.583 -0.374 18115
1294 1 4 . 1 1 7 7 LEU N N 542 120.603 120.603 119.797 0.806 18115
1295 1 4 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.070 0.123 18115
1296 1 4 . 1 1 7 7 LEU C C 542 177.015 177.015 179.206 -2.191 18115
1297 1 4 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.331 -0.376 18115
1298 1 4 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.807 0.416 18115
1299 1 4 . 1 1 7 7 LEU H H 542 7.775 7.775 8.568 -0.793 18115
1300 1 4 . 1 1 8 8 GLU N N 543 119.550 119.550 120.219 -0.669 18115
1301 1 4 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.113 -0.558 18115
1302 1 4 . 1 1 8 8 GLU C C 543 177.949 177.949 179.198 -1.249 18115
1303 1 4 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.398 -0.086 18115
1304 1 4 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.817 0.608 18115
1305 1 4 . 1 1 8 8 GLU H H 543 8.418 8.418 8.529 -0.111 18115
1306 1 4 . 1 1 9 9 SER N N 544 112.181 112.181 115.971 -3.790 18115
1307 1 4 . 1 1 9 9 SER HA H 544 4.192 4.192 4.213 -0.021 18115
1308 1 4 . 1 1 9 9 SER C C 544 176.285 176.285 176.873 -0.588 18115
1309 1 4 . 1 1 9 9 SER CA C 544 61.890 61.890 62.140 -0.250 18115
1310 1 4 . 1 1 9 9 SER CB C 544 63.000 63.000 63.088 -0.088 18115
1311 1 4 . 1 1 9 9 SER H H 544 8.313 8.313 8.165 0.148 18115
1312 1 4 . 1 1 10 10 TYR N N 545 122.309 122.309 123.384 -1.075 18115
1313 1 4 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.181 0.208 18115
1314 1 4 . 1 1 10 10 TYR C C 545 177.193 177.193 176.952 0.241 18115
1315 1 4 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.414 -0.072 18115
1316 1 4 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.409 0.478 18115
1317 1 4 . 1 1 10 10 TYR H H 545 7.811 7.811 8.352 -0.541 18115
1318 1 4 . 1 1 11 11 ALA N N 546 120.404 120.404 122.468 -2.064 18115
1319 1 4 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.182 -0.393 18115
1320 1 4 . 1 1 11 11 ALA C C 546 179.480 179.480 179.695 -0.215 18115
1321 1 4 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.935 0.753 18115
1322 1 4 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.261 -0.635 18115
1323 1 4 . 1 1 11 11 ALA H H 546 8.456 8.456 8.701 -0.245 18115
1324 1 4 . 1 1 12 12 PHE N N 547 116.158 116.158 117.945 -1.787 18115
1325 1 4 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.112 0.033 18115
1326 1 4 . 1 1 12 12 PHE C C 547 179.133 179.133 177.975 1.158 18115
1327 1 4 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.840 -1.427 18115
1328 1 4 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.706 -0.426 18115
1329 1 4 . 1 1 12 12 PHE H H 547 8.430 8.430 9.222 -0.792 18115
1330 1 4 . 1 1 13 13 ASN N N 548 120.231 120.231 118.509 1.722 18115
1331 1 4 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.475 -0.056 18115
1332 1 4 . 1 1 13 13 ASN C C 548 178.326 178.326 177.881 0.445 18115
1333 1 4 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.657 -0.705 18115
1334 1 4 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.596 -0.642 18115
1335 1 4 . 1 1 13 13 ASN H H 548 8.654 8.654 8.037 0.617 18115
1336 1 4 . 1 1 14 14 MET N N 549 121.990 121.990 118.532 3.458 18115
1337 1 4 . 1 1 14 14 MET HA H 549 4.278 4.278 4.221 0.057 18115
1338 1 4 . 1 1 14 14 MET C C 549 176.929 176.929 178.196 -1.267 18115
1339 1 4 . 1 1 14 14 MET CA C 549 57.182 57.182 57.767 -0.585 18115
1340 1 4 . 1 1 14 14 MET CB C 549 32.998 32.998 31.817 1.181 18115
1341 1 4 . 1 1 14 14 MET H H 549 8.331 8.331 8.203 0.128 18115
1342 1 4 . 1 1 15 15 LYS N N 550 119.946 119.946 120.512 -0.566 18115
1343 1 4 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.881 -0.166 18115
1344 1 4 . 1 1 15 15 LYS C C 550 177.879 177.879 178.872 -0.993 18115
1345 1 4 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.117 -0.146 18115
1346 1 4 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.209 0.601 18115
1347 1 4 . 1 1 15 15 LYS H H 550 7.731 7.731 8.459 -0.728 18115
1348 1 4 . 1 1 16 16 SER N N 551 111.477 111.477 114.728 -3.251 18115
1349 1 4 . 1 1 16 16 SER HA H 551 4.093 4.093 4.229 -0.136 18115
1350 1 4 . 1 1 16 16 SER C C 551 177.031 177.031 176.578 0.453 18115
1351 1 4 . 1 1 16 16 SER CA C 551 61.173 61.173 61.156 0.017 18115
1352 1 4 . 1 1 16 16 SER CB C 551 63.007 63.007 63.127 -0.120 18115
1353 1 4 . 1 1 16 16 SER H H 551 7.766 7.766 8.193 -0.427 18115
1354 1 4 . 1 1 17 17 ALA N N 552 123.689 123.689 123.345 0.344 18115
1355 1 4 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.128 -0.045 18115
1356 1 4 . 1 1 17 17 ALA C C 552 180.384 180.384 179.957 0.427 18115
1357 1 4 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.826 0.462 18115
1358 1 4 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.576 -0.411 18115
1359 1 4 . 1 1 17 17 ALA H H 552 8.089 8.089 7.926 0.163 18115
1360 1 4 . 1 1 18 18 VAL N N 553 109.294 109.294 113.519 -4.225 18115
1361 1 4 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.847 0.169 18115
1362 1 4 . 1 1 18 18 VAL C C 553 176.352 176.352 177.465 -1.113 18115
1363 1 4 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.175 -1.417 18115
1364 1 4 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.967 -0.315 18115
1365 1 4 . 1 1 18 18 VAL H H 553 7.560 7.560 7.673 -0.113 18115
1366 1 4 . 1 1 19 19 GLU N N 554 118.414 118.414 117.221 1.193 18115
1367 1 4 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.227 -0.012 18115
1368 1 4 . 1 1 19 19 GLU C C 554 176.794 176.794 176.507 0.287 18115
1369 1 4 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.710 0.034 18115
1370 1 4 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.262 0.897 18115
1371 1 4 . 1 1 19 19 GLU H H 554 7.389 7.389 7.728 -0.339 18115
1372 1 4 . 1 1 20 20 ASP N N 555 120.735 120.735 120.701 0.034 18115
1373 1 4 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.553 -0.186 18115
1374 1 4 . 1 1 20 20 ASP C C 555 178.171 178.171 177.068 1.103 18115
1375 1 4 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.366 1.501 18115
1376 1 4 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.227 0.647 18115
1377 1 4 . 1 1 20 20 ASP H H 555 7.224 7.224 7.464 -0.240 18115
1378 1 4 . 1 1 21 21 GLU N N 556 126.927 126.927 124.469 2.458 18115
1379 1 4 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.153 -0.172 18115
1380 1 4 . 1 1 21 21 GLU C C 556 178.691 178.691 177.392 1.299 18115
1381 1 4 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.658 1.486 18115
1382 1 4 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.549 0.001 18115
1383 1 4 . 1 1 21 21 GLU H H 556 9.007 9.007 8.812 0.195 18115
1384 1 4 . 1 1 22 22 GLY N N 557 108.255 108.255 106.410 1.845 18115
1385 1 4 . 1 1 22 22 GLY C C 557 175.344 175.344 175.125 0.219 18115
1386 1 4 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.449 0.959 18115
1387 1 4 . 1 1 22 22 GLY H H 557 9.031 9.031 8.456 0.575 18115
1388 1 4 . 1 1 23 23 LEU N N 558 119.463 119.463 121.029 -1.566 18115
1389 1 4 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.395 -0.049 18115
1390 1 4 . 1 1 23 23 LEU C C 558 177.893 177.893 176.695 1.198 18115
1391 1 4 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.936 -0.016 18115
1392 1 4 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.789 -0.403 18115
1393 1 4 . 1 1 23 23 LEU H H 558 7.606 7.606 7.873 -0.267 18115
1394 1 4 . 1 1 24 24 LYS N N 559 120.994 120.994 119.325 1.669 18115
1395 1 4 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.006 0.066 18115
1396 1 4 . 1 1 24 24 LYS C C 559 177.830 177.830 177.056 0.774 18115
1397 1 4 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.907 0.570 18115
1398 1 4 . 1 1 24 24 LYS CB C 559 32.359 32.359 32.000 0.359 18115
1399 1 4 . 1 1 24 24 LYS H H 559 7.572 7.572 7.704 -0.132 18115
1400 1 4 . 1 1 25 25 GLY N N 560 111.895 111.895 114.761 -2.866 18115
1401 1 4 . 1 1 25 25 GLY C C 560 174.451 174.451 175.217 -0.766 18115
1402 1 4 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.368 0.218 18115
1403 1 4 . 1 1 25 25 GLY H H 560 8.770 8.770 8.240 0.530 18115
1404 1 4 . 1 1 26 26 LYS N N 561 118.925 118.925 120.682 -1.757 18115
1405 1 4 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.232 0.104 18115
1406 1 4 . 1 1 26 26 LYS C C 561 175.860 175.860 176.583 -0.723 18115
1407 1 4 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.905 -1.039 18115
1408 1 4 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.244 0.957 18115
1409 1 4 . 1 1 26 26 LYS H H 561 8.116 8.116 7.870 0.246 18115
1410 1 4 . 1 1 27 27 ILE N N 562 116.463 116.463 119.390 -2.927 18115
1411 1 4 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.259 0.239 18115
1412 1 4 . 1 1 27 27 ILE C C 562 174.838 174.838 174.105 0.733 18115
1413 1 4 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.971 -0.583 18115
1414 1 4 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.668 0.001 18115
1415 1 4 . 1 1 27 27 ILE H H 562 7.430 7.430 7.398 0.032 18115
1416 1 4 . 1 1 28 28 SER N N 563 124.501 124.501 121.377 3.124 18115
1417 1 4 . 1 1 28 28 SER HA H 563 4.404 4.404 4.602 -0.198 18115
1418 1 4 . 1 1 28 28 SER C C 563 174.870 174.870 175.715 -0.845 18115
1419 1 4 . 1 1 28 28 SER CA C 563 57.432 57.432 57.286 0.146 18115
1420 1 4 . 1 1 28 28 SER CB C 563 64.793 64.793 64.017 0.776 18115
1421 1 4 . 1 1 28 28 SER H H 563 9.375 9.375 8.685 0.690 18115
1422 1 4 . 1 1 29 29 GLU N N 564 122.048 122.048 124.721 -2.673 18115
1423 1 4 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.919 -0.019 18115
1424 1 4 . 1 1 29 29 GLU C C 564 179.396 179.396 178.447 0.949 18115
1425 1 4 . 1 1 29 29 GLU CA C 564 59.714 59.714 60.368 -0.654 18115
1426 1 4 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.337 -0.119 18115
1427 1 4 . 1 1 29 29 GLU H H 564 8.970 8.970 9.078 -0.108 18115
1428 1 4 . 1 1 30 30 ALA N N 565 120.829 120.829 122.178 -1.349 18115
1429 1 4 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.072 -0.026 18115
1430 1 4 . 1 1 30 30 ALA C C 565 180.524 180.524 179.835 0.689 18115
1431 1 4 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.371 -0.333 18115
1432 1 4 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.842 0.621 18115
1433 1 4 . 1 1 30 30 ALA H H 565 8.465 8.465 8.508 -0.043 18115
1434 1 4 . 1 1 31 31 ASP N N 566 121.111 121.111 118.971 2.140 18115
1435 1 4 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.320 0.119 18115
1436 1 4 . 1 1 31 31 ASP C C 566 177.738 177.738 178.551 -0.813 18115
1437 1 4 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.896 -0.590 18115
1438 1 4 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.513 -0.557 18115
1439 1 4 . 1 1 31 31 ASP H H 566 7.835 7.835 7.692 0.143 18115
1440 1 4 . 1 1 32 32 LYS N N 567 121.278 121.278 121.318 -0.040 18115
1441 1 4 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.864 -0.271 18115
1442 1 4 . 1 1 32 32 LYS C C 567 177.700 177.700 178.924 -1.224 18115
1443 1 4 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.791 0.762 18115
1444 1 4 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.408 0.188 18115
1445 1 4 . 1 1 32 32 LYS H H 567 8.379 8.379 8.307 0.072 18115
1446 1 4 . 1 1 33 33 LYS N N 568 117.531 117.531 118.298 -0.767 18115
1447 1 4 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.971 -0.132 18115
1448 1 4 . 1 1 33 33 LYS C C 568 177.391 177.391 178.942 -1.551 18115
1449 1 4 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.759 -0.352 18115
1450 1 4 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.522 -0.041 18115
1451 1 4 . 1 1 33 33 LYS H H 568 7.846 7.846 8.542 -0.696 18115
1452 1 4 . 1 1 34 34 LYS N N 569 118.376 118.376 119.776 -1.400 18115
1453 1 4 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.062 -0.063 18115
1454 1 4 . 1 1 34 34 LYS C C 569 180.064 180.064 178.968 1.096 18115
1455 1 4 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.296 0.657 18115
1456 1 4 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.230 0.624 18115
1457 1 4 . 1 1 34 34 LYS H H 569 7.647 7.647 8.093 -0.446 18115
1458 1 4 . 1 1 35 35 VAL N N 570 118.353 118.353 121.012 -2.659 18115
1459 1 4 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.755 -0.281 18115
1460 1 4 . 1 1 35 35 VAL C C 570 178.019 178.019 177.446 0.573 18115
1461 1 4 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.922 1.030 18115
1462 1 4 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.096 0.437 18115
1463 1 4 . 1 1 35 35 VAL H H 570 7.638 7.638 7.989 -0.351 18115
1464 1 4 . 1 1 36 36 LEU N N 571 120.671 120.671 121.442 -0.771 18115
1465 1 4 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.852 -0.062 18115
1466 1 4 . 1 1 36 36 LEU C C 571 180.444 180.444 178.976 1.468 18115
1467 1 4 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.780 0.133 18115
1468 1 4 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.401 -0.193 18115
1469 1 4 . 1 1 36 36 LEU H H 571 8.693 8.693 8.270 0.423 18115
1470 1 4 . 1 1 37 37 ASP N N 572 120.071 120.071 119.009 1.062 18115
1471 1 4 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.298 0.021 18115
1472 1 4 . 1 1 37 37 ASP C C 572 179.345 179.345 178.554 0.791 18115
1473 1 4 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.876 -0.593 18115
1474 1 4 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.897 -1.221 18115
1475 1 4 . 1 1 37 37 ASP H H 572 9.265 9.265 8.299 0.966 18115
1476 1 4 . 1 1 38 38 LYS N N 573 121.858 121.858 120.480 1.378 18115
1477 1 4 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.123 0.137 18115
1478 1 4 . 1 1 38 38 LYS C C 573 178.856 178.856 178.747 0.109 18115
1479 1 4 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.717 -1.656 18115
1480 1 4 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.892 -0.906 18115
1481 1 4 . 1 1 38 38 LYS H H 573 7.674 7.674 7.982 -0.308 18115
1482 1 4 . 1 1 39 39 CYS N N 574 117.635 117.635 118.684 -1.049 18115
1483 1 4 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.131 -0.268 18115
1484 1 4 . 1 1 39 39 CYS C C 574 176.479 176.479 177.063 -0.584 18115
1485 1 4 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.269 1.300 18115
1486 1 4 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.963 -0.283 18115
1487 1 4 . 1 1 39 39 CYS H H 574 8.818 8.818 8.757 0.061 18115
1488 1 4 . 1 1 40 40 GLN N N 575 118.089 118.089 118.871 -0.782 18115
1489 1 4 . 1 1 40 40 GLN HA H 575 3.959 3.959 3.996 -0.037 18115
1490 1 4 . 1 1 40 40 GLN C C 575 178.023 178.023 178.363 -0.340 18115
1491 1 4 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.742 -0.073 18115
1492 1 4 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.053 0.037 18115
1493 1 4 . 1 1 40 40 GLN H H 575 8.203 8.203 8.446 -0.243 18115
1494 1 4 . 1 1 41 41 GLU N N 576 121.535 121.535 120.630 0.905 18115
1495 1 4 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.077 -0.085 18115
1496 1 4 . 1 1 41 41 GLU C C 576 179.586 179.586 179.055 0.531 18115
1497 1 4 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.816 0.073 18115
1498 1 4 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.609 0.404 18115
1499 1 4 . 1 1 41 41 GLU H H 576 8.074 8.074 7.923 0.151 18115
1500 1 4 . 1 1 42 42 VAL N N 577 120.038 120.038 120.233 -0.195 18115
1501 1 4 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.843 -0.132 18115
1502 1 4 . 1 1 42 42 VAL C C 577 177.102 177.102 178.038 -0.936 18115
1503 1 4 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.707 1.413 18115
1504 1 4 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.934 -0.402 18115
1505 1 4 . 1 1 42 42 VAL H H 577 8.144 8.144 8.042 0.102 18115
1506 1 4 . 1 1 43 43 ILE N N 578 122.306 122.306 120.723 1.583 18115
1507 1 4 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.753 -0.056 18115
1508 1 4 . 1 1 43 43 ILE C C 578 178.491 178.491 178.056 0.435 18115
1509 1 4 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.161 -0.543 18115
1510 1 4 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.798 -0.111 18115
1511 1 4 . 1 1 43 43 ILE H H 578 8.504 8.504 8.506 -0.002 18115
1512 1 4 . 1 1 44 44 SER N N 579 115.928 115.928 115.715 0.213 18115
1513 1 4 . 1 1 44 44 SER HA H 579 4.265 4.265 4.253 0.012 18115
1514 1 4 . 1 1 44 44 SER C C 579 177.129 177.129 176.207 0.922 18115
1515 1 4 . 1 1 44 44 SER CA C 579 62.208 62.208 62.041 0.167 18115
1516 1 4 . 1 1 44 44 SER CB C 579 62.906 62.906 62.954 -0.048 18115
1517 1 4 . 1 1 44 44 SER H H 579 8.562 8.562 8.386 0.176 18115
1518 1 4 . 1 1 45 45 TRP N N 580 124.917 124.917 124.719 0.198 18115
1519 1 4 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.402 -0.361 18115
1520 1 4 . 1 1 45 45 TRP C C 580 179.278 179.278 177.328 1.950 18115
1521 1 4 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.392 1.113 18115
1522 1 4 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.514 -0.996 18115
1523 1 4 . 1 1 45 45 TRP H H 580 8.406 8.406 8.221 0.185 18115
1524 1 4 . 1 1 46 46 LEU N N 581 122.211 122.211 120.168 2.043 18115
1525 1 4 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.789 -0.133 18115
1526 1 4 . 1 1 46 46 LEU C C 581 179.119 179.119 179.072 0.047 18115
1527 1 4 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.368 0.066 18115
1528 1 4 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.509 1.030 18115
1529 1 4 . 1 1 46 46 LEU H H 581 9.012 9.012 8.919 0.093 18115
1530 1 4 . 1 1 47 47 ASP N N 582 117.724 117.724 118.645 -0.921 18115
1531 1 4 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.460 -0.182 18115
1532 1 4 . 1 1 47 47 ASP C C 582 177.154 177.154 177.234 -0.080 18115
1533 1 4 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.636 0.158 18115
1534 1 4 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.128 0.061 18115
1535 1 4 . 1 1 47 47 ASP H H 582 7.665 7.665 7.882 -0.217 18115
1536 1 4 . 1 1 48 48 ALA N N 583 118.604 118.604 120.405 -1.801 18115
1537 1 4 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.329 -0.041 18115
1538 1 4 . 1 1 48 48 ALA C C 583 177.776 177.776 178.215 -0.439 18115
1539 1 4 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.358 -1.005 18115
1540 1 4 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.699 0.194 18115
1541 1 4 . 1 1 48 48 ALA H H 583 7.129 7.129 6.952 0.176 18115
1542 1 4 . 1 1 49 49 ASN N N 584 118.883 118.883 116.638 2.245 18115
1543 1 4 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.889 -0.218 18115
1544 1 4 . 1 1 49 49 ASN C C 584 174.761 174.761 175.343 -0.582 18115
1545 1 4 . 1 1 49 49 ASN CA C 584 52.848 52.848 51.653 1.195 18115
1546 1 4 . 1 1 49 49 ASN CB C 584 37.968 37.968 37.906 0.062 18115
1547 1 4 . 1 1 49 49 ASN H H 584 7.284 7.284 8.130 -0.846 18115
1548 1 4 . 1 1 50 50 THR N N 585 112.258 112.258 114.266 -2.008 18115
1549 1 4 . 1 1 50 50 THR HA H 585 3.967 3.967 4.234 -0.267 18115
1550 1 4 . 1 1 50 50 THR C C 585 175.787 175.787 175.030 0.757 18115
1551 1 4 . 1 1 50 50 THR CA C 585 65.175 65.175 64.628 0.547 18115
1552 1 4 . 1 1 50 50 THR CB C 585 69.336 69.336 68.876 0.460 18115
1553 1 4 . 1 1 50 50 THR H H 585 7.615 7.615 8.059 -0.444 18115
1554 1 4 . 1 1 51 51 LEU N N 586 120.550 120.550 119.136 1.414 18115
1555 1 4 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.549 -0.006 18115
1556 1 4 . 1 1 51 51 LEU C C 586 176.635 176.635 176.816 -0.181 18115
1557 1 4 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.480 0.481 18115
1558 1 4 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.744 0.328 18115
1559 1 4 . 1 1 51 51 LEU H H 586 8.254 8.254 7.587 0.667 18115
1560 1 4 . 1 1 52 52 ALA N N 587 123.048 123.048 122.862 0.186 18115
1561 1 4 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.047 0.029 18115
1562 1 4 . 1 1 52 52 ALA C C 587 176.356 176.356 176.940 -0.584 18115
1563 1 4 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.346 0.250 18115
1564 1 4 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.072 0.359 18115
1565 1 4 . 1 1 52 52 ALA H H 587 7.124 7.124 7.321 -0.197 18115
1566 1 4 . 1 1 53 53 GLU N N 588 118.471 118.471 120.197 -1.726 18115
1567 1 4 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.384 -0.024 18115
1568 1 4 . 1 1 53 53 GLU C C 588 177.945 177.945 178.291 -0.346 18115
1569 1 4 . 1 1 53 53 GLU CA C 588 55.737 55.737 56.141 -0.404 18115
1570 1 4 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.573 0.626 18115
1571 1 4 . 1 1 53 53 GLU H H 588 8.429 8.429 8.302 0.127 18115
1572 1 4 . 1 1 54 54 LYS N N 589 121.635 121.635 122.517 -0.882 18115
1573 1 4 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.225 -0.075 18115
1574 1 4 . 1 1 54 54 LYS C C 589 178.445 178.445 178.007 0.438 18115
1575 1 4 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.086 0.621 18115
1576 1 4 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.116 0.674 18115
1577 1 4 . 1 1 54 54 LYS H H 589 8.763 8.763 8.856 -0.093 18115
1578 1 4 . 1 1 55 55 ASP N N 590 116.537 116.537 117.358 -0.821 18115
1579 1 4 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.567 -0.247 18115
1580 1 4 . 1 1 55 55 ASP C C 590 178.649 178.649 178.373 0.276 18115
1581 1 4 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.200 -0.188 18115
1582 1 4 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.918 0.171 18115
1583 1 4 . 1 1 55 55 ASP H H 590 8.814 8.814 8.844 -0.030 18115
1584 1 4 . 1 1 56 56 GLU N N 591 119.611 119.611 121.231 -1.620 18115
1585 1 4 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.043 0.022 18115
1586 1 4 . 1 1 56 56 GLU C C 591 179.582 179.582 178.779 0.803 18115
1587 1 4 . 1 1 56 56 GLU CA C 591 59.513 59.513 58.922 0.591 18115
1588 1 4 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.230 0.583 18115
1589 1 4 . 1 1 56 56 GLU H H 591 7.785 7.785 7.776 0.009 18115
1590 1 4 . 1 1 57 57 PHE N N 592 117.509 117.509 118.335 -0.826 18115
1591 1 4 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.442 -0.217 18115
1592 1 4 . 1 1 57 57 PHE C C 592 178.436 178.436 178.391 0.045 18115
1593 1 4 . 1 1 57 57 PHE CA C 592 61.611 61.611 62.020 -0.409 18115
1594 1 4 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.743 0.091 18115
1595 1 4 . 1 1 57 57 PHE H H 592 7.443 7.443 7.827 -0.384 18115
1596 1 4 . 1 1 58 58 GLU N N 593 118.501 118.501 119.065 -0.564 18115
1597 1 4 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.974 0.160 18115
1598 1 4 . 1 1 58 58 GLU C C 593 178.855 178.855 179.178 -0.323 18115
1599 1 4 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.491 -0.507 18115
1600 1 4 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.988 0.079 18115
1601 1 4 . 1 1 58 58 GLU H H 593 7.952 7.952 8.439 -0.487 18115
1602 1 4 . 1 1 59 59 HIS N N 594 118.563 118.563 118.324 0.239 18115
1603 1 4 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.305 -0.092 18115
1604 1 4 . 1 1 59 59 HIS C C 594 177.856 177.856 177.631 0.225 18115
1605 1 4 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.460 -0.192 18115
1606 1 4 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.958 -0.921 18115
1607 1 4 . 1 1 59 59 HIS H H 594 8.126 8.126 8.430 -0.304 18115
1608 1 4 . 1 1 60 60 LYS N N 595 119.034 119.034 120.139 -1.105 18115
1609 1 4 . 1 1 60 60 LYS HA H 595 3.694 3.694 4.093 -0.399 18115
1610 1 4 . 1 1 60 60 LYS C C 595 178.057 178.057 178.562 -0.505 18115
1611 1 4 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.118 -0.971 18115
1612 1 4 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.775 -0.998 18115
1613 1 4 . 1 1 60 60 LYS H H 595 7.733 7.733 7.802 -0.069 18115
1614 1 4 . 1 1 61 61 ARG N N 596 120.071 120.071 119.198 0.873 18115
1615 1 4 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.724 -0.076 18115
1616 1 4 . 1 1 61 61 ARG C C 596 177.921 177.921 178.190 -0.269 18115
1617 1 4 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.684 0.494 18115
1618 1 4 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.019 -0.214 18115
1619 1 4 . 1 1 61 61 ARG H H 596 8.167 8.167 8.504 -0.337 18115
1620 1 4 . 1 1 62 62 LYS N N 597 118.731 118.731 118.417 0.314 18115
1621 1 4 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.021 -0.135 18115
1622 1 4 . 1 1 62 62 LYS C C 597 178.963 178.963 178.919 0.044 18115
1623 1 4 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.364 0.873 18115
1624 1 4 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.517 0.382 18115
1625 1 4 . 1 1 62 62 LYS H H 597 7.948 7.948 7.612 0.336 18115
1626 1 4 . 1 1 63 63 GLU N N 598 118.881 118.881 120.681 -1.800 18115
1627 1 4 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.950 -0.074 18115
1628 1 4 . 1 1 63 63 GLU C C 598 179.408 179.408 179.082 0.326 18115
1629 1 4 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.290 0.095 18115
1630 1 4 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.557 0.846 18115
1631 1 4 . 1 1 63 63 GLU H H 598 7.794 7.794 7.941 -0.147 18115
1632 1 4 . 1 1 64 64 LEU N N 599 119.904 119.904 120.231 -0.327 18115
1633 1 4 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.958 0.112 18115
1634 1 4 . 1 1 64 64 LEU C C 599 178.814 178.814 178.377 0.437 18115
1635 1 4 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.710 0.286 18115
1636 1 4 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.442 0.578 18115
1637 1 4 . 1 1 64 64 LEU H H 599 7.800 7.800 8.411 -0.611 18115
1638 1 4 . 1 1 65 65 GLU N N 600 122.446 122.446 120.063 2.383 18115
1639 1 4 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.051 0.115 18115
1640 1 4 . 1 1 65 65 GLU C C 600 178.550 178.550 179.221 -0.671 18115
1641 1 4 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.532 0.199 18115
1642 1 4 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.540 0.729 18115
1643 1 4 . 1 1 65 65 GLU H H 600 8.948 8.948 7.900 1.048 18115
1644 1 4 . 1 1 66 66 GLN N N 601 116.068 116.068 118.057 -1.989 18115
1645 1 4 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.055 -0.104 18115
1646 1 4 . 1 1 66 66 GLN C C 601 178.277 178.277 178.726 -0.449 18115
1647 1 4 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.385 0.141 18115
1648 1 4 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.718 -0.096 18115
1649 1 4 . 1 1 66 66 GLN H H 601 8.109 8.109 8.060 0.049 18115
1650 1 4 . 1 1 67 67 VAL N N 602 116.121 116.121 118.643 -2.522 18115
1651 1 4 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.903 -0.098 18115
1652 1 4 . 1 1 67 67 VAL C C 602 177.423 177.423 176.954 0.469 18115
1653 1 4 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.694 0.411 18115
1654 1 4 . 1 1 67 67 VAL CB C 602 33.177 33.177 31.879 1.298 18115
1655 1 4 . 1 1 67 67 VAL H H 602 7.171 7.171 7.592 -0.421 18115
1656 1 4 . 1 1 68 68 CYS N N 603 114.504 114.504 114.844 -0.340 18115
1657 1 4 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.315 -0.317 18115
1658 1 4 . 1 1 68 68 CYS C C 603 176.503 176.503 176.543 -0.040 18115
1659 1 4 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.118 3.207 18115
1660 1 4 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.391 0.274 18115
1661 1 4 . 1 1 68 68 CYS H H 603 8.138 8.138 8.139 -0.001 18115
1662 1 4 . 1 1 69 69 ASN N N 604 119.915 119.915 121.576 -1.661 18115
1663 1 4 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.518 0.056 18115
1664 1 4 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.557 0.258 18115
1665 1 4 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.404 -0.589 18115
1666 1 4 . 1 1 69 69 ASN H H 604 9.045 9.045 8.820 0.225 18115
1667 1 4 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.290 -0.019 18115
1668 1 4 . 1 1 70 70 PRO C C 605 177.471 177.471 177.085 0.386 18115
1669 1 4 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.329 0.341 18115
1670 1 4 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.290 0.298 18115
1671 1 4 . 1 1 71 71 ILE N N 606 115.752 115.752 114.011 1.741 18115
1672 1 4 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.076 -0.258 18115
1673 1 4 . 1 1 71 71 ILE C C 606 177.032 177.032 177.943 -0.911 18115
1674 1 4 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.574 -0.256 18115
1675 1 4 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.430 1.194 18115
1676 1 4 . 1 1 71 71 ILE H H 606 6.851 6.851 7.393 -0.542 18115
1677 1 4 . 1 1 72 72 ILE N N 607 116.042 116.042 122.734 -6.692 18115
1678 1 4 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.802 0.204 18115
1679 1 4 . 1 1 72 72 ILE C C 607 177.236 177.236 177.993 -0.757 18115
1680 1 4 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.970 -2.244 18115
1681 1 4 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.546 0.756 18115
1682 1 4 . 1 1 72 72 ILE H H 607 8.032 8.032 8.755 -0.723 18115
1683 1 4 . 1 1 73 73 SER N N 608 115.855 115.855 115.955 -0.100 18115
1684 1 4 . 1 1 73 73 SER HA H 608 4.277 4.277 4.295 -0.018 18115
1685 1 4 . 1 1 73 73 SER C C 608 175.111 175.111 175.646 -0.535 18115
1686 1 4 . 1 1 73 73 SER CA C 608 60.134 60.134 61.398 -1.264 18115
1687 1 4 . 1 1 73 73 SER CB C 608 63.480 63.480 63.160 0.320 18115
1688 1 4 . 1 1 73 73 SER H H 608 8.001 8.001 8.540 -0.539 18115
1689 1 4 . 1 1 74 74 GLY N N 609 109.991 109.991 107.234 2.757 18115
1690 1 4 . 1 1 74 74 GLY C C 609 173.508 173.508 173.812 -0.304 18115
1691 1 4 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.995 0.320 18115
1692 1 4 . 1 1 74 74 GLY H H 609 7.924 7.924 7.748 0.176 18115
1693 1 5 . 1 1 3 3 ALA N N 538 127.340 127.340 125.636 1.704 18115
1694 1 5 . 1 1 3 3 ALA HA H 538 4.107 4.107 4.081 0.026 18115
1695 1 5 . 1 1 3 3 ALA C C 538 179.658 179.658 178.784 0.874 18115
1696 1 5 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.109 0.681 18115
1697 1 5 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.831 -0.224 18115
1698 1 5 . 1 1 3 3 ALA H H 538 8.781 8.781 8.492 0.289 18115
1699 1 5 . 1 1 4 4 LYS N N 539 120.439 120.439 117.965 2.474 18115
1700 1 5 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.393 -0.128 18115
1701 1 5 . 1 1 4 4 LYS C C 539 177.428 177.428 178.057 -0.629 18115
1702 1 5 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.697 1.044 18115
1703 1 5 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.288 0.954 18115
1704 1 5 . 1 1 4 4 LYS H H 539 8.006 8.006 8.058 -0.052 18115
1705 1 5 . 1 1 5 5 ASN N N 540 117.109 117.109 116.822 0.287 18115
1706 1 5 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.423 -0.042 18115
1707 1 5 . 1 1 5 5 ASN C C 540 177.598 177.598 177.543 0.055 18115
1708 1 5 . 1 1 5 5 ASN CA C 540 55.758 55.758 55.953 -0.195 18115
1709 1 5 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.638 0.648 18115
1710 1 5 . 1 1 5 5 ASN H H 540 7.789 7.789 8.124 -0.335 18115
1711 1 5 . 1 1 6 6 ALA N N 541 122.489 122.489 123.173 -0.684 18115
1712 1 5 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.035 0.069 18115
1713 1 5 . 1 1 6 6 ALA C C 541 180.393 180.393 179.449 0.944 18115
1714 1 5 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.324 -0.288 18115
1715 1 5 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.587 -0.432 18115
1716 1 5 . 1 1 6 6 ALA H H 541 8.209 8.209 8.358 -0.149 18115
1717 1 5 . 1 1 7 7 LEU N N 542 120.603 120.603 119.449 1.154 18115
1718 1 5 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.077 0.116 18115
1719 1 5 . 1 1 7 7 LEU C C 542 177.015 177.015 179.252 -2.237 18115
1720 1 5 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.332 -0.377 18115
1721 1 5 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.839 0.384 18115
1722 1 5 . 1 1 7 7 LEU H H 542 7.775 7.775 8.521 -0.746 18115
1723 1 5 . 1 1 8 8 GLU N N 543 119.550 119.550 119.934 -0.384 18115
1724 1 5 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.135 -0.580 18115
1725 1 5 . 1 1 8 8 GLU C C 543 177.949 177.949 179.173 -1.224 18115
1726 1 5 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.103 0.209 18115
1727 1 5 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.738 0.686 18115
1728 1 5 . 1 1 8 8 GLU H H 543 8.418 8.418 8.357 0.061 18115
1729 1 5 . 1 1 9 9 SER N N 544 112.181 112.181 115.772 -3.591 18115
1730 1 5 . 1 1 9 9 SER HA H 544 4.192 4.192 4.222 -0.030 18115
1731 1 5 . 1 1 9 9 SER C C 544 176.285 176.285 176.809 -0.524 18115
1732 1 5 . 1 1 9 9 SER CA C 544 61.890 61.890 61.151 0.739 18115
1733 1 5 . 1 1 9 9 SER CB C 544 63.000 63.000 62.946 0.054 18115
1734 1 5 . 1 1 9 9 SER H H 544 8.313 8.313 8.417 -0.104 18115
1735 1 5 . 1 1 10 10 TYR N N 545 122.309 122.309 123.434 -1.125 18115
1736 1 5 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.180 0.209 18115
1737 1 5 . 1 1 10 10 TYR C C 545 177.193 177.193 177.113 0.080 18115
1738 1 5 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.239 0.103 18115
1739 1 5 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.231 0.656 18115
1740 1 5 . 1 1 10 10 TYR H H 545 7.811 7.811 8.581 -0.770 18115
1741 1 5 . 1 1 11 11 ALA N N 546 120.404 120.404 122.177 -1.773 18115
1742 1 5 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.197 -0.408 18115
1743 1 5 . 1 1 11 11 ALA C C 546 179.480 179.480 179.790 -0.310 18115
1744 1 5 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.915 0.773 18115
1745 1 5 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.183 -0.557 18115
1746 1 5 . 1 1 11 11 ALA H H 546 8.456 8.456 8.597 -0.141 18115
1747 1 5 . 1 1 12 12 PHE N N 547 116.158 116.158 118.362 -2.204 18115
1748 1 5 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.111 0.034 18115
1749 1 5 . 1 1 12 12 PHE C C 547 179.133 179.133 178.255 0.878 18115
1750 1 5 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.829 -1.416 18115
1751 1 5 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.716 -0.436 18115
1752 1 5 . 1 1 12 12 PHE H H 547 8.430 8.430 9.079 -0.649 18115
1753 1 5 . 1 1 13 13 ASN N N 548 120.231 120.231 117.900 2.331 18115
1754 1 5 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.424 -0.005 18115
1755 1 5 . 1 1 13 13 ASN C C 548 178.326 178.326 177.623 0.703 18115
1756 1 5 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.246 -0.294 18115
1757 1 5 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.138 -0.184 18115
1758 1 5 . 1 1 13 13 ASN H H 548 8.654 8.654 8.714 -0.060 18115
1759 1 5 . 1 1 14 14 MET N N 549 121.990 121.990 118.845 3.145 18115
1760 1 5 . 1 1 14 14 MET HA H 549 4.278 4.278 4.224 0.054 18115
1761 1 5 . 1 1 14 14 MET C C 549 176.929 176.929 178.195 -1.266 18115
1762 1 5 . 1 1 14 14 MET CA C 549 57.182 57.182 57.537 -0.355 18115
1763 1 5 . 1 1 14 14 MET CB C 549 32.998 32.998 31.807 1.191 18115
1764 1 5 . 1 1 14 14 MET H H 549 8.331 8.331 8.674 -0.343 18115
1765 1 5 . 1 1 15 15 LYS N N 550 119.946 119.946 120.616 -0.670 18115
1766 1 5 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.905 -0.190 18115
1767 1 5 . 1 1 15 15 LYS C C 550 177.879 177.879 178.843 -0.964 18115
1768 1 5 . 1 1 15 15 LYS CA C 550 59.971 59.971 59.943 0.028 18115
1769 1 5 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.292 0.518 18115
1770 1 5 . 1 1 15 15 LYS H H 550 7.731 7.731 8.422 -0.691 18115
1771 1 5 . 1 1 16 16 SER N N 551 111.477 111.477 115.053 -3.576 18115
1772 1 5 . 1 1 16 16 SER HA H 551 4.093 4.093 4.180 -0.087 18115
1773 1 5 . 1 1 16 16 SER C C 551 177.031 177.031 175.564 1.467 18115
1774 1 5 . 1 1 16 16 SER CA C 551 61.173 61.173 61.300 -0.127 18115
1775 1 5 . 1 1 16 16 SER CB C 551 63.007 63.007 63.106 -0.099 18115
1776 1 5 . 1 1 16 16 SER H H 551 7.766 7.766 8.350 -0.584 18115
1777 1 5 . 1 1 17 17 ALA N N 552 123.689 123.689 121.947 1.742 18115
1778 1 5 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.242 -0.159 18115
1779 1 5 . 1 1 17 17 ALA C C 552 180.384 180.384 179.789 0.595 18115
1780 1 5 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.449 0.839 18115
1781 1 5 . 1 1 17 17 ALA CB C 552 18.165 18.165 19.074 -0.909 18115
1782 1 5 . 1 1 17 17 ALA H H 552 8.089 8.089 7.759 0.330 18115
1783 1 5 . 1 1 18 18 VAL N N 553 109.294 109.294 113.313 -4.019 18115
1784 1 5 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.801 0.215 18115
1785 1 5 . 1 1 18 18 VAL C C 553 176.352 176.352 177.397 -1.045 18115
1786 1 5 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.419 -1.661 18115
1787 1 5 . 1 1 18 18 VAL CB C 553 31.652 31.652 32.033 -0.381 18115
1788 1 5 . 1 1 18 18 VAL H H 553 7.560 7.560 7.649 -0.089 18115
1789 1 5 . 1 1 19 19 GLU N N 554 118.414 118.414 117.016 1.398 18115
1790 1 5 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.286 -0.071 18115
1791 1 5 . 1 1 19 19 GLU C C 554 176.794 176.794 176.163 0.631 18115
1792 1 5 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.190 0.554 18115
1793 1 5 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.352 0.807 18115
1794 1 5 . 1 1 19 19 GLU H H 554 7.389 7.389 7.684 -0.295 18115
1795 1 5 . 1 1 20 20 ASP N N 555 120.735 120.735 119.915 0.820 18115
1796 1 5 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.583 -0.216 18115
1797 1 5 . 1 1 20 20 ASP C C 555 178.171 178.171 177.016 1.155 18115
1798 1 5 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.347 1.520 18115
1799 1 5 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.682 0.192 18115
1800 1 5 . 1 1 20 20 ASP H H 555 7.224 7.224 7.206 0.018 18115
1801 1 5 . 1 1 21 21 GLU N N 556 126.927 126.927 123.142 3.785 18115
1802 1 5 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.132 -0.151 18115
1803 1 5 . 1 1 21 21 GLU C C 556 178.691 178.691 176.859 1.832 18115
1804 1 5 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.909 1.235 18115
1805 1 5 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.394 0.156 18115
1806 1 5 . 1 1 21 21 GLU H H 556 9.007 9.007 8.686 0.321 18115
1807 1 5 . 1 1 22 22 GLY N N 557 108.255 108.255 106.584 1.671 18115
1808 1 5 . 1 1 22 22 GLY C C 557 175.344 175.344 175.036 0.308 18115
1809 1 5 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.457 0.951 18115
1810 1 5 . 1 1 22 22 GLY H H 557 9.031 9.031 8.471 0.560 18115
1811 1 5 . 1 1 23 23 LEU N N 558 119.463 119.463 121.182 -1.719 18115
1812 1 5 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.547 -0.201 18115
1813 1 5 . 1 1 23 23 LEU C C 558 177.893 177.893 177.527 0.366 18115
1814 1 5 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.974 -0.054 18115
1815 1 5 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.545 -0.159 18115
1816 1 5 . 1 1 23 23 LEU H H 558 7.606 7.606 7.734 -0.128 18115
1817 1 5 . 1 1 24 24 LYS N N 559 120.994 120.994 119.696 1.298 18115
1818 1 5 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.289 -0.217 18115
1819 1 5 . 1 1 24 24 LYS C C 559 177.830 177.830 177.858 -0.028 18115
1820 1 5 . 1 1 24 24 LYS CA C 559 58.477 58.477 58.700 -0.223 18115
1821 1 5 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.926 0.433 18115
1822 1 5 . 1 1 24 24 LYS H H 559 7.572 7.572 7.735 -0.163 18115
1823 1 5 . 1 1 25 25 GLY N N 560 111.895 111.895 105.287 6.608 18115
1824 1 5 . 1 1 25 25 GLY C C 560 174.451 174.451 174.963 -0.512 18115
1825 1 5 . 1 1 25 25 GLY CA C 560 45.586 45.586 44.963 0.623 18115
1826 1 5 . 1 1 25 25 GLY H H 560 8.770 8.770 8.375 0.395 18115
1827 1 5 . 1 1 26 26 LYS N N 561 118.925 118.925 119.668 -0.743 18115
1828 1 5 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.260 0.076 18115
1829 1 5 . 1 1 26 26 LYS C C 561 175.860 175.860 176.918 -1.058 18115
1830 1 5 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.266 -0.400 18115
1831 1 5 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.132 1.069 18115
1832 1 5 . 1 1 26 26 LYS H H 561 8.116 8.116 7.587 0.529 18115
1833 1 5 . 1 1 27 27 ILE N N 562 116.463 116.463 119.249 -2.786 18115
1834 1 5 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.183 0.315 18115
1835 1 5 . 1 1 27 27 ILE C C 562 174.838 174.838 174.112 0.726 18115
1836 1 5 . 1 1 27 27 ILE CA C 562 59.388 59.388 60.101 -0.713 18115
1837 1 5 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.649 0.020 18115
1838 1 5 . 1 1 27 27 ILE H H 562 7.430 7.430 7.545 -0.115 18115
1839 1 5 . 1 1 28 28 SER N N 563 124.501 124.501 119.535 4.966 18115
1840 1 5 . 1 1 28 28 SER HA H 563 4.404 4.404 4.572 -0.168 18115
1841 1 5 . 1 1 28 28 SER C C 563 174.870 174.870 175.875 -1.005 18115
1842 1 5 . 1 1 28 28 SER CA C 563 57.432 57.432 56.873 0.559 18115
1843 1 5 . 1 1 28 28 SER CB C 563 64.793 64.793 64.593 0.200 18115
1844 1 5 . 1 1 28 28 SER H H 563 9.375 9.375 8.391 0.984 18115
1845 1 5 . 1 1 29 29 GLU N N 564 122.048 122.048 125.425 -3.377 18115
1846 1 5 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.966 -0.066 18115
1847 1 5 . 1 1 29 29 GLU C C 564 179.396 179.396 178.015 1.381 18115
1848 1 5 . 1 1 29 29 GLU CA C 564 59.714 59.714 60.038 -0.324 18115
1849 1 5 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.435 -0.217 18115
1850 1 5 . 1 1 29 29 GLU H H 564 8.970 8.970 9.054 -0.084 18115
1851 1 5 . 1 1 30 30 ALA N N 565 120.829 120.829 121.693 -0.864 18115
1852 1 5 . 1 1 30 30 ALA HA H 565 4.046 4.046 3.998 0.048 18115
1853 1 5 . 1 1 30 30 ALA C C 565 180.524 180.524 179.429 1.095 18115
1854 1 5 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.637 -0.599 18115
1855 1 5 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.920 0.543 18115
1856 1 5 . 1 1 30 30 ALA H H 565 8.465 8.465 8.310 0.155 18115
1857 1 5 . 1 1 31 31 ASP N N 566 121.111 121.111 118.896 2.215 18115
1858 1 5 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.306 0.133 18115
1859 1 5 . 1 1 31 31 ASP C C 566 177.738 177.738 178.523 -0.785 18115
1860 1 5 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.789 -0.483 18115
1861 1 5 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.357 -0.402 18115
1862 1 5 . 1 1 31 31 ASP H H 566 7.835 7.835 7.752 0.083 18115
1863 1 5 . 1 1 32 32 LYS N N 567 121.278 121.278 121.360 -0.082 18115
1864 1 5 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.852 -0.259 18115
1865 1 5 . 1 1 32 32 LYS C C 567 177.700 177.700 178.939 -1.239 18115
1866 1 5 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.775 0.778 18115
1867 1 5 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.412 0.184 18115
1868 1 5 . 1 1 32 32 LYS H H 567 8.379 8.379 8.204 0.175 18115
1869 1 5 . 1 1 33 33 LYS N N 568 117.531 117.531 118.322 -0.791 18115
1870 1 5 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.957 -0.118 18115
1871 1 5 . 1 1 33 33 LYS C C 568 177.391 177.391 178.848 -1.457 18115
1872 1 5 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.793 -0.386 18115
1873 1 5 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.496 -0.015 18115
1874 1 5 . 1 1 33 33 LYS H H 568 7.846 7.846 8.531 -0.685 18115
1875 1 5 . 1 1 34 34 LYS N N 569 118.376 118.376 119.738 -1.362 18115
1876 1 5 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.058 -0.059 18115
1877 1 5 . 1 1 34 34 LYS C C 569 180.064 180.064 179.055 1.009 18115
1878 1 5 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.280 0.673 18115
1879 1 5 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.191 0.663 18115
1880 1 5 . 1 1 34 34 LYS H H 569 7.647 7.647 8.012 -0.365 18115
1881 1 5 . 1 1 35 35 VAL N N 570 118.353 118.353 120.981 -2.628 18115
1882 1 5 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.756 -0.282 18115
1883 1 5 . 1 1 35 35 VAL C C 570 178.019 178.019 177.407 0.612 18115
1884 1 5 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.892 1.060 18115
1885 1 5 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.110 0.423 18115
1886 1 5 . 1 1 35 35 VAL H H 570 7.638 7.638 7.952 -0.314 18115
1887 1 5 . 1 1 36 36 LEU N N 571 120.671 120.671 121.551 -0.880 18115
1888 1 5 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.841 -0.051 18115
1889 1 5 . 1 1 36 36 LEU C C 571 180.444 180.444 179.059 1.385 18115
1890 1 5 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.841 0.072 18115
1891 1 5 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.384 -0.176 18115
1892 1 5 . 1 1 36 36 LEU H H 571 8.693 8.693 8.204 0.489 18115
1893 1 5 . 1 1 37 37 ASP N N 572 120.071 120.071 118.791 1.280 18115
1894 1 5 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.282 0.037 18115
1895 1 5 . 1 1 37 37 ASP C C 572 179.345 179.345 178.529 0.816 18115
1896 1 5 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.813 -0.530 18115
1897 1 5 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.892 -1.216 18115
1898 1 5 . 1 1 37 37 ASP H H 572 9.265 9.265 8.442 0.823 18115
1899 1 5 . 1 1 38 38 LYS N N 573 121.858 121.858 120.645 1.213 18115
1900 1 5 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.103 0.157 18115
1901 1 5 . 1 1 38 38 LYS C C 573 178.856 178.856 178.624 0.232 18115
1902 1 5 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.477 -1.416 18115
1903 1 5 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.864 -0.878 18115
1904 1 5 . 1 1 38 38 LYS H H 573 7.674 7.674 7.990 -0.316 18115
1905 1 5 . 1 1 39 39 CYS N N 574 117.635 117.635 118.733 -1.098 18115
1906 1 5 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.108 -0.245 18115
1907 1 5 . 1 1 39 39 CYS C C 574 176.479 176.479 177.034 -0.555 18115
1908 1 5 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.428 1.142 18115
1909 1 5 . 1 1 39 39 CYS CB C 574 26.680 26.680 27.052 -0.372 18115
1910 1 5 . 1 1 39 39 CYS H H 574 8.818 8.818 8.704 0.114 18115
1911 1 5 . 1 1 40 40 GLN N N 575 118.089 118.089 119.235 -1.146 18115
1912 1 5 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.030 -0.071 18115
1913 1 5 . 1 1 40 40 GLN C C 575 178.023 178.023 178.652 -0.629 18115
1914 1 5 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.783 -0.114 18115
1915 1 5 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.174 -0.084 18115
1916 1 5 . 1 1 40 40 GLN H H 575 8.203 8.203 8.325 -0.122 18115
1917 1 5 . 1 1 41 41 GLU N N 576 121.535 121.535 120.515 1.020 18115
1918 1 5 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.032 -0.040 18115
1919 1 5 . 1 1 41 41 GLU C C 576 179.586 179.586 179.282 0.304 18115
1920 1 5 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.540 0.349 18115
1921 1 5 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.593 0.419 18115
1922 1 5 . 1 1 41 41 GLU H H 576 8.074 8.074 7.837 0.237 18115
1923 1 5 . 1 1 42 42 VAL N N 577 120.038 120.038 119.982 0.056 18115
1924 1 5 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.784 -0.073 18115
1925 1 5 . 1 1 42 42 VAL C C 577 177.102 177.102 177.635 -0.533 18115
1926 1 5 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.725 1.395 18115
1927 1 5 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.869 -0.337 18115
1928 1 5 . 1 1 42 42 VAL H H 577 8.144 8.144 8.028 0.116 18115
1929 1 5 . 1 1 43 43 ILE N N 578 122.306 122.306 120.665 1.641 18115
1930 1 5 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.768 -0.071 18115
1931 1 5 . 1 1 43 43 ILE C C 578 178.491 178.491 178.073 0.418 18115
1932 1 5 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.255 -0.637 18115
1933 1 5 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.759 -0.072 18115
1934 1 5 . 1 1 43 43 ILE H H 578 8.504 8.504 8.458 0.046 18115
1935 1 5 . 1 1 44 44 SER N N 579 115.928 115.928 115.117 0.811 18115
1936 1 5 . 1 1 44 44 SER HA H 579 4.265 4.265 4.304 -0.039 18115
1937 1 5 . 1 1 44 44 SER C C 579 177.129 177.129 176.675 0.454 18115
1938 1 5 . 1 1 44 44 SER CA C 579 62.208 62.208 60.913 1.295 18115
1939 1 5 . 1 1 44 44 SER CB C 579 62.906 62.906 62.877 0.029 18115
1940 1 5 . 1 1 44 44 SER H H 579 8.562 8.562 8.401 0.161 18115
1941 1 5 . 1 1 45 45 TRP N N 580 124.917 124.917 124.620 0.297 18115
1942 1 5 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.432 -0.391 18115
1943 1 5 . 1 1 45 45 TRP C C 580 179.278 179.278 177.333 1.945 18115
1944 1 5 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.570 0.935 18115
1945 1 5 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.584 -1.066 18115
1946 1 5 . 1 1 45 45 TRP H H 580 8.406 8.406 8.085 0.321 18115
1947 1 5 . 1 1 46 46 LEU N N 581 122.211 122.211 120.013 2.198 18115
1948 1 5 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.733 -0.077 18115
1949 1 5 . 1 1 46 46 LEU C C 581 179.119 179.119 178.515 0.604 18115
1950 1 5 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.442 -0.008 18115
1951 1 5 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.673 0.866 18115
1952 1 5 . 1 1 46 46 LEU H H 581 9.012 9.012 8.457 0.555 18115
1953 1 5 . 1 1 47 47 ASP N N 582 117.724 117.724 117.667 0.057 18115
1954 1 5 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.264 0.014 18115
1955 1 5 . 1 1 47 47 ASP C C 582 177.154 177.154 177.991 -0.837 18115
1956 1 5 . 1 1 47 47 ASP CA C 582 56.794 56.794 57.254 -0.460 18115
1957 1 5 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.355 -0.166 18115
1958 1 5 . 1 1 47 47 ASP H H 582 7.665 7.665 7.782 -0.117 18115
1959 1 5 . 1 1 48 48 ALA N N 583 118.604 118.604 121.086 -2.482 18115
1960 1 5 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.094 0.194 18115
1961 1 5 . 1 1 48 48 ALA C C 583 177.776 177.776 178.404 -0.628 18115
1962 1 5 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.866 -1.513 18115
1963 1 5 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.184 0.709 18115
1964 1 5 . 1 1 48 48 ALA H H 583 7.129 7.129 7.314 -0.185 18115
1965 1 5 . 1 1 49 49 ASN N N 584 118.883 118.883 116.141 2.742 18115
1966 1 5 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.585 0.086 18115
1967 1 5 . 1 1 49 49 ASN C C 584 174.761 174.761 175.509 -0.748 18115
1968 1 5 . 1 1 49 49 ASN CA C 584 52.848 52.848 51.787 1.061 18115
1969 1 5 . 1 1 49 49 ASN CB C 584 37.968 37.968 36.660 1.308 18115
1970 1 5 . 1 1 49 49 ASN H H 584 7.284 7.284 8.209 -0.925 18115
1971 1 5 . 1 1 50 50 THR N N 585 112.258 112.258 114.856 -2.598 18115
1972 1 5 . 1 1 50 50 THR HA H 585 3.967 3.967 4.168 -0.201 18115
1973 1 5 . 1 1 50 50 THR C C 585 175.787 175.787 174.751 1.036 18115
1974 1 5 . 1 1 50 50 THR CA C 585 65.175 65.175 65.092 0.083 18115
1975 1 5 . 1 1 50 50 THR CB C 585 69.336 69.336 68.665 0.671 18115
1976 1 5 . 1 1 50 50 THR H H 585 7.615 7.615 7.713 -0.098 18115
1977 1 5 . 1 1 51 51 LEU N N 586 120.550 120.550 119.738 0.812 18115
1978 1 5 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.670 -0.127 18115
1979 1 5 . 1 1 51 51 LEU C C 586 176.635 176.635 176.668 -0.033 18115
1980 1 5 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.499 0.461 18115
1981 1 5 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.966 0.106 18115
1982 1 5 . 1 1 51 51 LEU H H 586 8.254 8.254 7.503 0.751 18115
1983 1 5 . 1 1 52 52 ALA N N 587 123.048 123.048 123.614 -0.566 18115
1984 1 5 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.147 -0.071 18115
1985 1 5 . 1 1 52 52 ALA C C 587 176.356 176.356 177.092 -0.736 18115
1986 1 5 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.331 0.265 18115
1987 1 5 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.306 0.125 18115
1988 1 5 . 1 1 52 52 ALA H H 587 7.124 7.124 7.628 -0.504 18115
1989 1 5 . 1 1 53 53 GLU N N 588 118.471 118.471 120.154 -1.683 18115
1990 1 5 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.659 -0.299 18115
1991 1 5 . 1 1 53 53 GLU C C 588 177.945 177.945 177.960 -0.015 18115
1992 1 5 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.355 0.382 18115
1993 1 5 . 1 1 53 53 GLU CB C 588 31.199 31.199 31.159 0.040 18115
1994 1 5 . 1 1 53 53 GLU H H 588 8.429 8.429 8.274 0.155 18115
1995 1 5 . 1 1 54 54 LYS N N 589 121.635 121.635 120.858 0.777 18115
1996 1 5 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.240 -0.090 18115
1997 1 5 . 1 1 54 54 LYS C C 589 178.445 178.445 177.802 0.643 18115
1998 1 5 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.124 0.583 18115
1999 1 5 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.017 0.773 18115
2000 1 5 . 1 1 54 54 LYS H H 589 8.763 8.763 8.845 -0.082 18115
2001 1 5 . 1 1 55 55 ASP N N 590 116.537 116.537 117.582 -1.045 18115
2002 1 5 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.536 -0.216 18115
2003 1 5 . 1 1 55 55 ASP C C 590 178.649 178.649 178.754 -0.105 18115
2004 1 5 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.139 -0.126 18115
2005 1 5 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.782 0.307 18115
2006 1 5 . 1 1 55 55 ASP H H 590 8.814 8.814 8.850 -0.036 18115
2007 1 5 . 1 1 56 56 GLU N N 591 119.611 119.611 120.954 -1.343 18115
2008 1 5 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.192 -0.127 18115
2009 1 5 . 1 1 56 56 GLU C C 591 179.582 179.582 179.014 0.568 18115
2010 1 5 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.212 0.301 18115
2011 1 5 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.256 0.557 18115
2012 1 5 . 1 1 56 56 GLU H H 591 7.785 7.785 7.799 -0.014 18115
2013 1 5 . 1 1 57 57 PHE N N 592 117.509 117.509 118.995 -1.486 18115
2014 1 5 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.463 -0.238 18115
2015 1 5 . 1 1 57 57 PHE C C 592 178.436 178.436 178.393 0.043 18115
2016 1 5 . 1 1 57 57 PHE CA C 592 61.611 61.611 62.156 -0.545 18115
2017 1 5 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.501 0.333 18115
2018 1 5 . 1 1 57 57 PHE H H 592 7.443 7.443 7.657 -0.214 18115
2019 1 5 . 1 1 58 58 GLU N N 593 118.501 118.501 119.638 -1.137 18115
2020 1 5 . 1 1 58 58 GLU HA H 593 4.134 4.134 4.029 0.105 18115
2021 1 5 . 1 1 58 58 GLU C C 593 178.855 178.855 179.471 -0.616 18115
2022 1 5 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.668 -0.684 18115
2023 1 5 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.002 0.065 18115
2024 1 5 . 1 1 58 58 GLU H H 593 7.952 7.952 8.839 -0.887 18115
2025 1 5 . 1 1 59 59 HIS N N 594 118.563 118.563 118.431 0.132 18115
2026 1 5 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.273 -0.060 18115
2027 1 5 . 1 1 59 59 HIS C C 594 177.856 177.856 177.801 0.055 18115
2028 1 5 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.840 -0.572 18115
2029 1 5 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.905 -0.868 18115
2030 1 5 . 1 1 59 59 HIS H H 594 8.126 8.126 8.454 -0.328 18115
2031 1 5 . 1 1 60 60 LYS N N 595 119.034 119.034 119.538 -0.504 18115
2032 1 5 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.934 -0.240 18115
2033 1 5 . 1 1 60 60 LYS C C 595 178.057 178.057 178.584 -0.527 18115
2034 1 5 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.682 -1.536 18115
2035 1 5 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.999 -1.222 18115
2036 1 5 . 1 1 60 60 LYS H H 595 7.733 7.733 7.785 -0.052 18115
2037 1 5 . 1 1 61 61 ARG N N 596 120.071 120.071 119.944 0.127 18115
2038 1 5 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.732 -0.084 18115
2039 1 5 . 1 1 61 61 ARG C C 596 177.921 177.921 178.063 -0.142 18115
2040 1 5 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.967 0.211 18115
2041 1 5 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.082 -0.277 18115
2042 1 5 . 1 1 61 61 ARG H H 596 8.167 8.167 8.593 -0.426 18115
2043 1 5 . 1 1 62 62 LYS N N 597 118.731 118.731 118.275 0.456 18115
2044 1 5 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.172 -0.286 18115
2045 1 5 . 1 1 62 62 LYS C C 597 178.963 178.963 179.455 -0.492 18115
2046 1 5 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.308 0.929 18115
2047 1 5 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.463 0.436 18115
2048 1 5 . 1 1 62 62 LYS H H 597 7.948 7.948 7.708 0.240 18115
2049 1 5 . 1 1 63 63 GLU N N 598 118.881 118.881 120.506 -1.625 18115
2050 1 5 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.958 -0.082 18115
2051 1 5 . 1 1 63 63 GLU C C 598 179.408 179.408 179.109 0.299 18115
2052 1 5 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.094 0.290 18115
2053 1 5 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.528 0.875 18115
2054 1 5 . 1 1 63 63 GLU H H 598 7.794 7.794 7.653 0.141 18115
2055 1 5 . 1 1 64 64 LEU N N 599 119.904 119.904 120.538 -0.634 18115
2056 1 5 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.956 0.114 18115
2057 1 5 . 1 1 64 64 LEU C C 599 178.814 178.814 178.745 0.069 18115
2058 1 5 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.842 0.154 18115
2059 1 5 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.366 0.654 18115
2060 1 5 . 1 1 64 64 LEU H H 599 7.800 7.800 8.469 -0.669 18115
2061 1 5 . 1 1 65 65 GLU N N 600 122.446 122.446 119.321 3.125 18115
2062 1 5 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.042 0.124 18115
2063 1 5 . 1 1 65 65 GLU C C 600 178.550 178.550 180.098 -1.548 18115
2064 1 5 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.467 0.264 18115
2065 1 5 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.399 0.870 18115
2066 1 5 . 1 1 65 65 GLU H H 600 8.948 8.948 8.397 0.551 18115
2067 1 5 . 1 1 66 66 GLN N N 601 116.068 116.068 118.890 -2.822 18115
2068 1 5 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.056 -0.105 18115
2069 1 5 . 1 1 66 66 GLN C C 601 178.277 178.277 178.040 0.237 18115
2070 1 5 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.384 0.142 18115
2071 1 5 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.700 -0.078 18115
2072 1 5 . 1 1 66 66 GLN H H 601 8.109 8.109 7.912 0.197 18115
2073 1 5 . 1 1 67 67 VAL N N 602 116.121 116.121 119.901 -3.780 18115
2074 1 5 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.929 -0.124 18115
2075 1 5 . 1 1 67 67 VAL C C 602 177.423 177.423 177.223 0.200 18115
2076 1 5 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.671 0.434 18115
2077 1 5 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.098 1.079 18115
2078 1 5 . 1 1 67 67 VAL H H 602 7.171 7.171 7.739 -0.568 18115
2079 1 5 . 1 1 68 68 CYS N N 603 114.504 114.504 115.469 -0.965 18115
2080 1 5 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.405 -0.407 18115
2081 1 5 . 1 1 68 68 CYS C C 603 176.503 176.503 176.378 0.125 18115
2082 1 5 . 1 1 68 68 CYS CA C 603 63.325 63.325 58.913 4.412 18115
2083 1 5 . 1 1 68 68 CYS CB C 603 28.665 28.665 26.995 1.670 18115
2084 1 5 . 1 1 68 68 CYS H H 603 8.138 8.138 8.153 -0.015 18115
2085 1 5 . 1 1 69 69 ASN N N 604 119.915 119.915 121.504 -1.589 18115
2086 1 5 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.506 0.068 18115
2087 1 5 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.644 0.171 18115
2088 1 5 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.542 -0.727 18115
2089 1 5 . 1 1 69 69 ASN H H 604 9.045 9.045 8.763 0.282 18115
2090 1 5 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.288 -0.017 18115
2091 1 5 . 1 1 70 70 PRO C C 605 177.471 177.471 177.525 -0.054 18115
2092 1 5 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.535 0.135 18115
2093 1 5 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.481 0.107 18115
2094 1 5 . 1 1 71 71 ILE N N 606 115.752 115.752 115.708 0.044 18115
2095 1 5 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.028 -0.210 18115
2096 1 5 . 1 1 71 71 ILE C C 606 177.032 177.032 177.873 -0.841 18115
2097 1 5 . 1 1 71 71 ILE CA C 606 63.318 63.318 64.210 -0.892 18115
2098 1 5 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.175 1.449 18115
2099 1 5 . 1 1 71 71 ILE H H 606 6.851 6.851 7.409 -0.558 18115
2100 1 5 . 1 1 72 72 ILE N N 607 116.042 116.042 122.939 -6.897 18115
2101 1 5 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.791 0.215 18115
2102 1 5 . 1 1 72 72 ILE C C 607 177.236 177.236 178.154 -0.918 18115
2103 1 5 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.967 -2.241 18115
2104 1 5 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.518 0.784 18115
2105 1 5 . 1 1 72 72 ILE H H 607 8.032 8.032 8.795 -0.763 18115
2106 1 5 . 1 1 73 73 SER N N 608 115.855 115.855 116.332 -0.477 18115
2107 1 5 . 1 1 73 73 SER HA H 608 4.277 4.277 4.310 -0.033 18115
2108 1 5 . 1 1 73 73 SER C C 608 175.111 175.111 175.688 -0.577 18115
2109 1 5 . 1 1 73 73 SER CA C 608 60.134 60.134 60.700 -0.567 18115
2110 1 5 . 1 1 73 73 SER CB C 608 63.480 63.480 62.929 0.551 18115
2111 1 5 . 1 1 73 73 SER H H 608 8.001 8.001 8.291 -0.290 18115
2112 1 5 . 1 1 74 74 GLY N N 609 109.991 109.991 108.474 1.517 18115
2113 1 5 . 1 1 74 74 GLY C C 609 173.508 173.508 173.550 -0.042 18115
2114 1 5 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.814 0.501 18115
2115 1 5 . 1 1 74 74 GLY H H 609 7.924 7.924 7.809 0.115 18115
2116 1 6 . 1 1 3 3 ALA N N 538 127.340 127.340 124.993 2.347 18115
2117 1 6 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.956 0.151 18115
2118 1 6 . 1 1 3 3 ALA C C 538 179.658 179.658 178.460 1.198 18115
2119 1 6 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.964 -0.173 18115
2120 1 6 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.887 -0.280 18115
2121 1 6 . 1 1 3 3 ALA H H 538 8.781 8.781 8.092 0.689 18115
2122 1 6 . 1 1 4 4 LYS N N 539 120.439 120.439 117.893 2.546 18115
2123 1 6 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.249 0.016 18115
2124 1 6 . 1 1 4 4 LYS C C 539 177.428 177.428 177.898 -0.470 18115
2125 1 6 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.781 0.960 18115
2126 1 6 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.196 1.046 18115
2127 1 6 . 1 1 4 4 LYS H H 539 8.006 8.006 7.946 0.060 18115
2128 1 6 . 1 1 5 5 ASN N N 540 117.109 117.109 116.204 0.905 18115
2129 1 6 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.394 -0.013 18115
2130 1 6 . 1 1 5 5 ASN C C 540 177.598 177.598 177.423 0.175 18115
2131 1 6 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.087 -0.329 18115
2132 1 6 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.648 0.638 18115
2133 1 6 . 1 1 5 5 ASN H H 540 7.789 7.789 8.173 -0.384 18115
2134 1 6 . 1 1 6 6 ALA N N 541 122.489 122.489 123.277 -0.788 18115
2135 1 6 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.184 -0.080 18115
2136 1 6 . 1 1 6 6 ALA C C 541 180.393 180.393 179.993 0.400 18115
2137 1 6 . 1 1 6 6 ALA CA C 541 55.036 55.036 54.959 0.077 18115
2138 1 6 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.469 -0.314 18115
2139 1 6 . 1 1 6 6 ALA H H 541 8.209 8.209 8.039 0.170 18115
2140 1 6 . 1 1 7 7 LEU N N 542 120.603 120.603 120.201 0.402 18115
2141 1 6 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.097 0.096 18115
2142 1 6 . 1 1 7 7 LEU C C 542 177.015 177.015 178.756 -1.741 18115
2143 1 6 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.202 -0.247 18115
2144 1 6 . 1 1 7 7 LEU CB C 542 41.223 41.223 41.177 0.046 18115
2145 1 6 . 1 1 7 7 LEU H H 542 7.775 7.775 8.623 -0.848 18115
2146 1 6 . 1 1 8 8 GLU N N 543 119.550 119.550 119.930 -0.380 18115
2147 1 6 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.131 -0.576 18115
2148 1 6 . 1 1 8 8 GLU C C 543 177.949 177.949 179.074 -1.125 18115
2149 1 6 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.117 0.195 18115
2150 1 6 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.924 0.501 18115
2151 1 6 . 1 1 8 8 GLU H H 543 8.418 8.418 8.710 -0.292 18115
2152 1 6 . 1 1 9 9 SER N N 544 112.181 112.181 115.708 -3.527 18115
2153 1 6 . 1 1 9 9 SER HA H 544 4.192 4.192 4.221 -0.029 18115
2154 1 6 . 1 1 9 9 SER C C 544 176.285 176.285 176.904 -0.619 18115
2155 1 6 . 1 1 9 9 SER CA C 544 61.890 61.890 61.446 0.444 18115
2156 1 6 . 1 1 9 9 SER CB C 544 63.000 63.000 62.611 0.389 18115
2157 1 6 . 1 1 9 9 SER H H 544 8.313 8.313 8.107 0.206 18115
2158 1 6 . 1 1 10 10 TYR N N 545 122.309 122.309 123.630 -1.321 18115
2159 1 6 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.144 0.245 18115
2160 1 6 . 1 1 10 10 TYR C C 545 177.193 177.193 176.898 0.295 18115
2161 1 6 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.718 -0.376 18115
2162 1 6 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.199 0.688 18115
2163 1 6 . 1 1 10 10 TYR H H 545 7.811 7.811 8.090 -0.279 18115
2164 1 6 . 1 1 11 11 ALA N N 546 120.404 120.404 122.267 -1.863 18115
2165 1 6 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.178 -0.389 18115
2166 1 6 . 1 1 11 11 ALA C C 546 179.480 179.480 179.738 -0.258 18115
2167 1 6 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.905 0.783 18115
2168 1 6 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.231 -0.605 18115
2169 1 6 . 1 1 11 11 ALA H H 546 8.456 8.456 8.046 0.410 18115
2170 1 6 . 1 1 12 12 PHE N N 547 116.158 116.158 117.950 -1.792 18115
2171 1 6 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.117 0.028 18115
2172 1 6 . 1 1 12 12 PHE C C 547 179.133 179.133 177.945 1.188 18115
2173 1 6 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.691 -1.278 18115
2174 1 6 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.649 -0.369 18115
2175 1 6 . 1 1 12 12 PHE H H 547 8.430 8.430 9.174 -0.744 18115
2176 1 6 . 1 1 13 13 ASN N N 548 120.231 120.231 118.657 1.574 18115
2177 1 6 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.509 -0.090 18115
2178 1 6 . 1 1 13 13 ASN C C 548 178.326 178.326 177.903 0.423 18115
2179 1 6 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.606 -0.654 18115
2180 1 6 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.712 -0.758 18115
2181 1 6 . 1 1 13 13 ASN H H 548 8.654 8.654 8.321 0.333 18115
2182 1 6 . 1 1 14 14 MET N N 549 121.990 121.990 118.586 3.404 18115
2183 1 6 . 1 1 14 14 MET HA H 549 4.278 4.278 4.217 0.061 18115
2184 1 6 . 1 1 14 14 MET C C 549 176.929 176.929 178.246 -1.317 18115
2185 1 6 . 1 1 14 14 MET CA C 549 57.182 57.182 57.745 -0.563 18115
2186 1 6 . 1 1 14 14 MET CB C 549 32.998 32.998 31.785 1.213 18115
2187 1 6 . 1 1 14 14 MET H H 549 8.331 8.331 8.165 0.166 18115
2188 1 6 . 1 1 15 15 LYS N N 550 119.946 119.946 120.994 -1.048 18115
2189 1 6 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.874 -0.159 18115
2190 1 6 . 1 1 15 15 LYS C C 550 177.879 177.879 178.913 -1.034 18115
2191 1 6 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.261 -0.290 18115
2192 1 6 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.139 0.671 18115
2193 1 6 . 1 1 15 15 LYS H H 550 7.731 7.731 8.493 -0.762 18115
2194 1 6 . 1 1 16 16 SER N N 551 111.477 111.477 114.857 -3.380 18115
2195 1 6 . 1 1 16 16 SER HA H 551 4.093 4.093 4.236 -0.143 18115
2196 1 6 . 1 1 16 16 SER C C 551 177.031 177.031 176.684 0.347 18115
2197 1 6 . 1 1 16 16 SER CA C 551 61.173 61.173 60.981 0.192 18115
2198 1 6 . 1 1 16 16 SER CB C 551 63.007 63.007 62.897 0.110 18115
2199 1 6 . 1 1 16 16 SER H H 551 7.766 7.766 8.274 -0.508 18115
2200 1 6 . 1 1 17 17 ALA N N 552 123.689 123.689 123.557 0.132 18115
2201 1 6 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.132 -0.049 18115
2202 1 6 . 1 1 17 17 ALA C C 552 180.384 180.384 179.697 0.687 18115
2203 1 6 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.806 0.482 18115
2204 1 6 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.524 -0.359 18115
2205 1 6 . 1 1 17 17 ALA H H 552 8.089 8.089 7.880 0.209 18115
2206 1 6 . 1 1 18 18 VAL N N 553 109.294 109.294 113.231 -3.937 18115
2207 1 6 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.872 0.144 18115
2208 1 6 . 1 1 18 18 VAL C C 553 176.352 176.352 177.522 -1.170 18115
2209 1 6 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.002 -1.244 18115
2210 1 6 . 1 1 18 18 VAL CB C 553 31.652 31.652 32.056 -0.404 18115
2211 1 6 . 1 1 18 18 VAL H H 553 7.560 7.560 7.626 -0.066 18115
2212 1 6 . 1 1 19 19 GLU N N 554 118.414 118.414 117.078 1.336 18115
2213 1 6 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.237 -0.022 18115
2214 1 6 . 1 1 19 19 GLU C C 554 176.794 176.794 176.703 0.091 18115
2215 1 6 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.502 0.242 18115
2216 1 6 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.152 1.007 18115
2217 1 6 . 1 1 19 19 GLU H H 554 7.389 7.389 7.841 -0.452 18115
2218 1 6 . 1 1 20 20 ASP N N 555 120.735 120.735 120.742 -0.007 18115
2219 1 6 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.500 -0.133 18115
2220 1 6 . 1 1 20 20 ASP C C 555 178.171 178.171 177.276 0.895 18115
2221 1 6 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.571 1.296 18115
2222 1 6 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.178 0.696 18115
2223 1 6 . 1 1 20 20 ASP H H 555 7.224 7.224 7.554 -0.330 18115
2224 1 6 . 1 1 21 21 GLU N N 556 126.927 126.927 125.363 1.564 18115
2225 1 6 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.149 -0.168 18115
2226 1 6 . 1 1 21 21 GLU C C 556 178.691 178.691 177.034 1.657 18115
2227 1 6 . 1 1 21 21 GLU CA C 556 59.144 59.144 58.187 0.957 18115
2228 1 6 . 1 1 21 21 GLU CB C 556 29.550 29.550 28.826 0.724 18115
2229 1 6 . 1 1 21 21 GLU H H 556 9.007 9.007 8.702 0.305 18115
2230 1 6 . 1 1 22 22 GLY N N 557 108.255 108.255 107.468 0.787 18115
2231 1 6 . 1 1 22 22 GLY C C 557 175.344 175.344 175.224 0.120 18115
2232 1 6 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.625 0.783 18115
2233 1 6 . 1 1 22 22 GLY H H 557 9.031 9.031 8.851 0.180 18115
2234 1 6 . 1 1 23 23 LEU N N 558 119.463 119.463 121.588 -2.125 18115
2235 1 6 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.231 0.116 18115
2236 1 6 . 1 1 23 23 LEU C C 558 177.893 177.893 176.277 1.616 18115
2237 1 6 . 1 1 23 23 LEU CA C 558 54.920 54.920 55.285 -0.365 18115
2238 1 6 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.437 -0.050 18115
2239 1 6 . 1 1 23 23 LEU H H 558 7.606 7.606 8.112 -0.506 18115
2240 1 6 . 1 1 24 24 LYS N N 559 120.994 120.994 119.364 1.630 18115
2241 1 6 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.171 -0.099 18115
2242 1 6 . 1 1 24 24 LYS C C 559 177.830 177.830 176.542 1.288 18115
2243 1 6 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.582 0.895 18115
2244 1 6 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.096 1.263 18115
2245 1 6 . 1 1 24 24 LYS H H 559 7.572 7.572 7.789 -0.217 18115
2246 1 6 . 1 1 25 25 GLY N N 560 111.895 111.895 114.034 -2.139 18115
2247 1 6 . 1 1 25 25 GLY C C 560 174.451 174.451 175.194 -0.743 18115
2248 1 6 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.014 0.572 18115
2249 1 6 . 1 1 25 25 GLY H H 560 8.770 8.770 8.085 0.685 18115
2250 1 6 . 1 1 26 26 LYS N N 561 118.925 118.925 120.969 -2.044 18115
2251 1 6 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.254 0.082 18115
2252 1 6 . 1 1 26 26 LYS C C 561 175.860 175.860 176.936 -1.076 18115
2253 1 6 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.503 -0.637 18115
2254 1 6 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.280 0.921 18115
2255 1 6 . 1 1 26 26 LYS H H 561 8.116 8.116 7.944 0.172 18115
2256 1 6 . 1 1 27 27 ILE N N 562 116.463 116.463 119.755 -3.292 18115
2257 1 6 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.260 0.238 18115
2258 1 6 . 1 1 27 27 ILE C C 562 174.838 174.838 174.488 0.350 18115
2259 1 6 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.624 -0.236 18115
2260 1 6 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.475 0.194 18115
2261 1 6 . 1 1 27 27 ILE H H 562 7.430 7.430 7.694 -0.264 18115
2262 1 6 . 1 1 28 28 SER N N 563 124.501 124.501 119.931 4.570 18115
2263 1 6 . 1 1 28 28 SER HA H 563 4.404 4.404 4.471 -0.067 18115
2264 1 6 . 1 1 28 28 SER C C 563 174.870 174.870 175.611 -0.741 18115
2265 1 6 . 1 1 28 28 SER CA C 563 57.432 57.432 57.822 -0.390 18115
2266 1 6 . 1 1 28 28 SER CB C 563 64.793 64.793 64.207 0.586 18115
2267 1 6 . 1 1 28 28 SER H H 563 9.375 9.375 8.667 0.708 18115
2268 1 6 . 1 1 29 29 GLU N N 564 122.048 122.048 127.010 -4.962 18115
2269 1 6 . 1 1 29 29 GLU HA H 564 3.900 3.900 4.026 -0.126 18115
2270 1 6 . 1 1 29 29 GLU C C 564 179.396 179.396 177.622 1.774 18115
2271 1 6 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.396 0.318 18115
2272 1 6 . 1 1 29 29 GLU CB C 564 29.218 29.218 28.696 0.522 18115
2273 1 6 . 1 1 29 29 GLU H H 564 8.970 8.970 8.966 0.004 18115
2274 1 6 . 1 1 30 30 ALA N N 565 120.829 120.829 122.222 -1.393 18115
2275 1 6 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.003 0.043 18115
2276 1 6 . 1 1 30 30 ALA C C 565 180.524 180.524 179.555 0.969 18115
2277 1 6 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.283 -0.245 18115
2278 1 6 . 1 1 30 30 ALA CB C 565 18.463 18.463 18.133 0.330 18115
2279 1 6 . 1 1 30 30 ALA H H 565 8.465 8.465 7.810 0.655 18115
2280 1 6 . 1 1 31 31 ASP N N 566 121.111 121.111 119.071 2.040 18115
2281 1 6 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.317 0.122 18115
2282 1 6 . 1 1 31 31 ASP C C 566 177.738 177.738 178.539 -0.801 18115
2283 1 6 . 1 1 31 31 ASP CA C 566 57.306 57.306 58.484 -1.178 18115
2284 1 6 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.484 -0.529 18115
2285 1 6 . 1 1 31 31 ASP H H 566 7.835 7.835 7.705 0.130 18115
2286 1 6 . 1 1 32 32 LYS N N 567 121.278 121.278 121.033 0.245 18115
2287 1 6 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.835 -0.242 18115
2288 1 6 . 1 1 32 32 LYS C C 567 177.700 177.700 178.734 -1.034 18115
2289 1 6 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.752 0.801 18115
2290 1 6 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.482 0.114 18115
2291 1 6 . 1 1 32 32 LYS H H 567 8.379 8.379 8.214 0.165 18115
2292 1 6 . 1 1 33 33 LYS N N 568 117.531 117.531 118.572 -1.041 18115
2293 1 6 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.966 -0.127 18115
2294 1 6 . 1 1 33 33 LYS C C 568 177.391 177.391 178.841 -1.450 18115
2295 1 6 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.905 -0.498 18115
2296 1 6 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.521 -0.040 18115
2297 1 6 . 1 1 33 33 LYS H H 568 7.846 7.846 8.421 -0.575 18115
2298 1 6 . 1 1 34 34 LYS N N 569 118.376 118.376 119.823 -1.447 18115
2299 1 6 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.027 -0.028 18115
2300 1 6 . 1 1 34 34 LYS C C 569 180.064 180.064 179.002 1.062 18115
2301 1 6 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.353 0.600 18115
2302 1 6 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.189 0.665 18115
2303 1 6 . 1 1 34 34 LYS H H 569 7.647 7.647 8.133 -0.486 18115
2304 1 6 . 1 1 35 35 VAL N N 570 118.353 118.353 120.822 -2.469 18115
2305 1 6 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.763 -0.289 18115
2306 1 6 . 1 1 35 35 VAL C C 570 178.019 178.019 177.426 0.593 18115
2307 1 6 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.873 1.079 18115
2308 1 6 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.107 0.426 18115
2309 1 6 . 1 1 35 35 VAL H H 570 7.638 7.638 7.906 -0.268 18115
2310 1 6 . 1 1 36 36 LEU N N 571 120.671 120.671 121.418 -0.747 18115
2311 1 6 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.822 -0.032 18115
2312 1 6 . 1 1 36 36 LEU C C 571 180.444 180.444 178.754 1.690 18115
2313 1 6 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.843 0.070 18115
2314 1 6 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.249 -0.041 18115
2315 1 6 . 1 1 36 36 LEU H H 571 8.693 8.693 8.134 0.559 18115
2316 1 6 . 1 1 37 37 ASP N N 572 120.071 120.071 119.370 0.701 18115
2317 1 6 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.270 0.049 18115
2318 1 6 . 1 1 37 37 ASP C C 572 179.345 179.345 178.601 0.744 18115
2319 1 6 . 1 1 37 37 ASP CA C 572 57.283 57.283 58.059 -0.776 18115
2320 1 6 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.969 -1.294 18115
2321 1 6 . 1 1 37 37 ASP H H 572 9.265 9.265 8.560 0.705 18115
2322 1 6 . 1 1 38 38 LYS N N 573 121.858 121.858 120.730 1.128 18115
2323 1 6 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.102 0.158 18115
2324 1 6 . 1 1 38 38 LYS C C 573 178.856 178.856 178.945 -0.089 18115
2325 1 6 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.677 -1.616 18115
2326 1 6 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.876 -0.890 18115
2327 1 6 . 1 1 38 38 LYS H H 573 7.674 7.674 8.092 -0.418 18115
2328 1 6 . 1 1 39 39 CYS N N 574 117.635 117.635 118.637 -1.002 18115
2329 1 6 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.123 -0.260 18115
2330 1 6 . 1 1 39 39 CYS C C 574 176.479 176.479 177.044 -0.565 18115
2331 1 6 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.288 1.282 18115
2332 1 6 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.963 -0.283 18115
2333 1 6 . 1 1 39 39 CYS H H 574 8.818 8.818 8.765 0.053 18115
2334 1 6 . 1 1 40 40 GLN N N 575 118.089 118.089 118.866 -0.777 18115
2335 1 6 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.001 -0.042 18115
2336 1 6 . 1 1 40 40 GLN C C 575 178.023 178.023 178.416 -0.393 18115
2337 1 6 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.729 -0.060 18115
2338 1 6 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.020 0.070 18115
2339 1 6 . 1 1 40 40 GLN H H 575 8.203 8.203 8.459 -0.256 18115
2340 1 6 . 1 1 41 41 GLU N N 576 121.535 121.535 120.651 0.884 18115
2341 1 6 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.075 -0.083 18115
2342 1 6 . 1 1 41 41 GLU C C 576 179.586 179.586 179.092 0.494 18115
2343 1 6 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.819 0.070 18115
2344 1 6 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.654 0.359 18115
2345 1 6 . 1 1 41 41 GLU H H 576 8.074 8.074 7.962 0.112 18115
2346 1 6 . 1 1 42 42 VAL N N 577 120.038 120.038 120.221 -0.183 18115
2347 1 6 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.821 -0.110 18115
2348 1 6 . 1 1 42 42 VAL C C 577 177.102 177.102 178.055 -0.953 18115
2349 1 6 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.634 1.486 18115
2350 1 6 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.924 -0.392 18115
2351 1 6 . 1 1 42 42 VAL H H 577 8.144 8.144 8.092 0.052 18115
2352 1 6 . 1 1 43 43 ILE N N 578 122.306 122.306 120.836 1.470 18115
2353 1 6 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.752 -0.055 18115
2354 1 6 . 1 1 43 43 ILE C C 578 178.491 178.491 177.893 0.598 18115
2355 1 6 . 1 1 43 43 ILE CA C 578 65.618 65.618 65.993 -0.376 18115
2356 1 6 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.701 -0.014 18115
2357 1 6 . 1 1 43 43 ILE H H 578 8.504 8.504 8.616 -0.112 18115
2358 1 6 . 1 1 44 44 SER N N 579 115.928 115.928 115.629 0.299 18115
2359 1 6 . 1 1 44 44 SER HA H 579 4.265 4.265 4.303 -0.038 18115
2360 1 6 . 1 1 44 44 SER C C 579 177.129 177.129 176.573 0.556 18115
2361 1 6 . 1 1 44 44 SER CA C 579 62.208 62.208 61.416 0.792 18115
2362 1 6 . 1 1 44 44 SER CB C 579 62.906 62.906 62.756 0.150 18115
2363 1 6 . 1 1 44 44 SER H H 579 8.562 8.562 8.447 0.115 18115
2364 1 6 . 1 1 45 45 TRP N N 580 124.917 124.917 125.353 -0.436 18115
2365 1 6 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.392 -0.351 18115
2366 1 6 . 1 1 45 45 TRP C C 580 179.278 179.278 177.619 1.659 18115
2367 1 6 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.654 0.851 18115
2368 1 6 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.380 -0.862 18115
2369 1 6 . 1 1 45 45 TRP H H 580 8.406 8.406 8.131 0.275 18115
2370 1 6 . 1 1 46 46 LEU N N 581 122.211 122.211 120.034 2.177 18115
2371 1 6 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.760 -0.104 18115
2372 1 6 . 1 1 46 46 LEU C C 581 179.119 179.119 179.396 -0.277 18115
2373 1 6 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.008 0.426 18115
2374 1 6 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.828 0.711 18115
2375 1 6 . 1 1 46 46 LEU H H 581 9.012 9.012 8.572 0.440 18115
2376 1 6 . 1 1 47 47 ASP N N 582 117.724 117.724 118.418 -0.694 18115
2377 1 6 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.355 -0.077 18115
2378 1 6 . 1 1 47 47 ASP C C 582 177.154 177.154 177.956 -0.802 18115
2379 1 6 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.931 -0.137 18115
2380 1 6 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.017 0.172 18115
2381 1 6 . 1 1 47 47 ASP H H 582 7.665 7.665 7.940 -0.275 18115
2382 1 6 . 1 1 48 48 ALA N N 583 118.604 118.604 120.409 -1.805 18115
2383 1 6 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.178 0.110 18115
2384 1 6 . 1 1 48 48 ALA C C 583 177.776 177.776 177.897 -0.121 18115
2385 1 6 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.900 -1.547 18115
2386 1 6 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.230 0.663 18115
2387 1 6 . 1 1 48 48 ALA H H 583 7.129 7.129 7.418 -0.289 18115
2388 1 6 . 1 1 49 49 ASN N N 584 118.883 118.883 116.621 2.262 18115
2389 1 6 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.856 -0.185 18115
2390 1 6 . 1 1 49 49 ASN C C 584 174.761 174.761 175.546 -0.785 18115
2391 1 6 . 1 1 49 49 ASN CA C 584 52.848 52.848 51.630 1.218 18115
2392 1 6 . 1 1 49 49 ASN CB C 584 37.968 37.968 37.756 0.212 18115
2393 1 6 . 1 1 49 49 ASN H H 584 7.284 7.284 7.834 -0.550 18115
2394 1 6 . 1 1 50 50 THR N N 585 112.258 112.258 113.109 -0.851 18115
2395 1 6 . 1 1 50 50 THR HA H 585 3.967 3.967 4.210 -0.243 18115
2396 1 6 . 1 1 50 50 THR C C 585 175.787 175.787 175.122 0.665 18115
2397 1 6 . 1 1 50 50 THR CA C 585 65.175 65.175 64.315 0.860 18115
2398 1 6 . 1 1 50 50 THR CB C 585 69.336 69.336 68.951 0.385 18115
2399 1 6 . 1 1 50 50 THR H H 585 7.615 7.615 7.844 -0.229 18115
2400 1 6 . 1 1 51 51 LEU N N 586 120.550 120.550 119.856 0.694 18115
2401 1 6 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.513 0.030 18115
2402 1 6 . 1 1 51 51 LEU C C 586 176.635 176.635 176.972 -0.337 18115
2403 1 6 . 1 1 51 51 LEU CA C 586 53.961 53.961 54.055 -0.094 18115
2404 1 6 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.415 0.657 18115
2405 1 6 . 1 1 51 51 LEU H H 586 8.254 8.254 7.767 0.487 18115
2406 1 6 . 1 1 52 52 ALA N N 587 123.048 123.048 123.307 -0.259 18115
2407 1 6 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.138 -0.062 18115
2408 1 6 . 1 1 52 52 ALA C C 587 176.356 176.356 177.158 -0.802 18115
2409 1 6 . 1 1 52 52 ALA CA C 587 52.596 52.596 51.987 0.609 18115
2410 1 6 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.351 0.080 18115
2411 1 6 . 1 1 52 52 ALA H H 587 7.124 7.124 7.158 -0.034 18115
2412 1 6 . 1 1 53 53 GLU N N 588 118.471 118.471 121.033 -2.562 18115
2413 1 6 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.463 -0.103 18115
2414 1 6 . 1 1 53 53 GLU C C 588 177.945 177.945 178.385 -0.440 18115
2415 1 6 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.757 -0.020 18115
2416 1 6 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.871 0.328 18115
2417 1 6 . 1 1 53 53 GLU H H 588 8.429 8.429 8.310 0.119 18115
2418 1 6 . 1 1 54 54 LYS N N 589 121.635 121.635 120.978 0.657 18115
2419 1 6 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.241 -0.091 18115
2420 1 6 . 1 1 54 54 LYS C C 589 178.445 178.445 178.348 0.097 18115
2421 1 6 . 1 1 54 54 LYS CA C 589 60.707 60.707 59.986 0.721 18115
2422 1 6 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.165 0.625 18115
2423 1 6 . 1 1 54 54 LYS H H 589 8.763 8.763 8.819 -0.056 18115
2424 1 6 . 1 1 55 55 ASP N N 590 116.537 116.537 119.290 -2.753 18115
2425 1 6 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.253 0.067 18115
2426 1 6 . 1 1 55 55 ASP C C 590 178.649 178.649 178.424 0.225 18115
2427 1 6 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.749 -0.737 18115
2428 1 6 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.919 0.170 18115
2429 1 6 . 1 1 55 55 ASP H H 590 8.814 8.814 8.625 0.189 18115
2430 1 6 . 1 1 56 56 GLU N N 591 119.611 119.611 119.910 -0.299 18115
2431 1 6 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.175 -0.110 18115
2432 1 6 . 1 1 56 56 GLU C C 591 179.582 179.582 178.830 0.752 18115
2433 1 6 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.152 0.361 18115
2434 1 6 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.493 0.320 18115
2435 1 6 . 1 1 56 56 GLU H H 591 7.785 7.785 7.790 -0.005 18115
2436 1 6 . 1 1 57 57 PHE N N 592 117.509 117.509 118.813 -1.304 18115
2437 1 6 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.389 -0.164 18115
2438 1 6 . 1 1 57 57 PHE C C 592 178.436 178.436 178.390 0.046 18115
2439 1 6 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.549 0.062 18115
2440 1 6 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.514 0.320 18115
2441 1 6 . 1 1 57 57 PHE H H 592 7.443 7.443 7.441 0.002 18115
2442 1 6 . 1 1 58 58 GLU N N 593 118.501 118.501 119.606 -1.105 18115
2443 1 6 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.960 0.174 18115
2444 1 6 . 1 1 58 58 GLU C C 593 178.855 178.855 179.338 -0.483 18115
2445 1 6 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.569 -0.585 18115
2446 1 6 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.866 0.201 18115
2447 1 6 . 1 1 58 58 GLU H H 593 7.952 7.952 8.312 -0.360 18115
2448 1 6 . 1 1 59 59 HIS N N 594 118.563 118.563 118.951 -0.388 18115
2449 1 6 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.206 0.007 18115
2450 1 6 . 1 1 59 59 HIS C C 594 177.856 177.856 177.717 0.139 18115
2451 1 6 . 1 1 59 59 HIS CA C 594 59.268 59.268 58.721 0.548 18115
2452 1 6 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.797 -0.760 18115
2453 1 6 . 1 1 59 59 HIS H H 594 8.126 8.126 8.151 -0.025 18115
2454 1 6 . 1 1 60 60 LYS N N 595 119.034 119.034 119.448 -0.414 18115
2455 1 6 . 1 1 60 60 LYS HA H 595 3.694 3.694 4.021 -0.327 18115
2456 1 6 . 1 1 60 60 LYS C C 595 178.057 178.057 178.464 -0.407 18115
2457 1 6 . 1 1 60 60 LYS CA C 595 57.147 57.147 57.998 -0.851 18115
2458 1 6 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.598 -0.821 18115
2459 1 6 . 1 1 60 60 LYS H H 595 7.733 7.733 8.051 -0.318 18115
2460 1 6 . 1 1 61 61 ARG N N 596 120.071 120.071 119.238 0.833 18115
2461 1 6 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.735 -0.087 18115
2462 1 6 . 1 1 61 61 ARG C C 596 177.921 177.921 178.282 -0.361 18115
2463 1 6 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.648 0.530 18115
2464 1 6 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.943 -0.138 18115
2465 1 6 . 1 1 61 61 ARG H H 596 8.167 8.167 8.263 -0.096 18115
2466 1 6 . 1 1 62 62 LYS N N 597 118.731 118.731 118.483 0.248 18115
2467 1 6 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.047 -0.161 18115
2468 1 6 . 1 1 62 62 LYS C C 597 178.963 178.963 179.105 -0.142 18115
2469 1 6 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.472 0.765 18115
2470 1 6 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.639 0.260 18115
2471 1 6 . 1 1 62 62 LYS H H 597 7.948 7.948 7.636 0.312 18115
2472 1 6 . 1 1 63 63 GLU N N 598 118.881 118.881 120.596 -1.715 18115
2473 1 6 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.951 -0.075 18115
2474 1 6 . 1 1 63 63 GLU C C 598 179.408 179.408 179.093 0.315 18115
2475 1 6 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.131 0.254 18115
2476 1 6 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.535 0.868 18115
2477 1 6 . 1 1 63 63 GLU H H 598 7.794 7.794 7.658 0.136 18115
2478 1 6 . 1 1 64 64 LEU N N 599 119.904 119.904 120.326 -0.422 18115
2479 1 6 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.951 0.119 18115
2480 1 6 . 1 1 64 64 LEU C C 599 178.814 178.814 178.444 0.370 18115
2481 1 6 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.589 0.407 18115
2482 1 6 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.430 0.590 18115
2483 1 6 . 1 1 64 64 LEU H H 599 7.800 7.800 8.392 -0.592 18115
2484 1 6 . 1 1 65 65 GLU N N 600 122.446 122.446 119.835 2.611 18115
2485 1 6 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.086 0.080 18115
2486 1 6 . 1 1 65 65 GLU C C 600 178.550 178.550 179.869 -1.319 18115
2487 1 6 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.463 0.268 18115
2488 1 6 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.523 0.746 18115
2489 1 6 . 1 1 65 65 GLU H H 600 8.948 8.948 8.007 0.941 18115
2490 1 6 . 1 1 66 66 GLN N N 601 116.068 116.068 118.169 -2.101 18115
2491 1 6 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.083 -0.132 18115
2492 1 6 . 1 1 66 66 GLN C C 601 178.277 178.277 178.094 0.183 18115
2493 1 6 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.239 0.287 18115
2494 1 6 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.808 -0.186 18115
2495 1 6 . 1 1 66 66 GLN H H 601 8.109 8.109 7.825 0.284 18115
2496 1 6 . 1 1 67 67 VAL N N 602 116.121 116.121 118.541 -2.420 18115
2497 1 6 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.967 -0.162 18115
2498 1 6 . 1 1 67 67 VAL C C 602 177.423 177.423 177.337 0.086 18115
2499 1 6 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.803 0.302 18115
2500 1 6 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.220 0.957 18115
2501 1 6 . 1 1 67 67 VAL H H 602 7.171 7.171 7.613 -0.442 18115
2502 1 6 . 1 1 68 68 CYS N N 603 114.504 114.504 116.062 -1.558 18115
2503 1 6 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.392 -0.394 18115
2504 1 6 . 1 1 68 68 CYS C C 603 176.503 176.503 176.317 0.186 18115
2505 1 6 . 1 1 68 68 CYS CA C 603 63.325 63.325 58.986 4.339 18115
2506 1 6 . 1 1 68 68 CYS CB C 603 28.665 28.665 26.684 1.981 18115
2507 1 6 . 1 1 68 68 CYS H H 603 8.138 8.138 8.201 -0.063 18115
2508 1 6 . 1 1 69 69 ASN N N 604 119.915 119.915 121.232 -1.317 18115
2509 1 6 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.482 0.092 18115
2510 1 6 . 1 1 69 69 ASN CA C 604 57.815 57.815 58.113 -0.298 18115
2511 1 6 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.772 -0.957 18115
2512 1 6 . 1 1 69 69 ASN H H 604 9.045 9.045 8.634 0.411 18115
2513 1 6 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.241 0.030 18115
2514 1 6 . 1 1 70 70 PRO C C 605 177.471 177.471 177.764 -0.293 18115
2515 1 6 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.435 0.235 18115
2516 1 6 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.170 0.418 18115
2517 1 6 . 1 1 71 71 ILE N N 606 115.752 115.752 114.311 1.441 18115
2518 1 6 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.013 -0.195 18115
2519 1 6 . 1 1 71 71 ILE C C 606 177.032 177.032 177.843 -0.811 18115
2520 1 6 . 1 1 71 71 ILE CA C 606 63.318 63.318 64.082 -0.764 18115
2521 1 6 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.164 1.460 18115
2522 1 6 . 1 1 71 71 ILE H H 606 6.851 6.851 7.325 -0.474 18115
2523 1 6 . 1 1 72 72 ILE N N 607 116.042 116.042 122.286 -6.244 18115
2524 1 6 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.795 0.211 18115
2525 1 6 . 1 1 72 72 ILE C C 607 177.236 177.236 178.541 -1.305 18115
2526 1 6 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.967 -2.241 18115
2527 1 6 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.159 1.143 18115
2528 1 6 . 1 1 72 72 ILE H H 607 8.032 8.032 8.850 -0.818 18115
2529 1 6 . 1 1 73 73 SER N N 608 115.855 115.855 116.572 -0.717 18115
2530 1 6 . 1 1 73 73 SER HA H 608 4.277 4.277 4.286 -0.009 18115
2531 1 6 . 1 1 73 73 SER C C 608 175.111 175.111 175.607 -0.496 18115
2532 1 6 . 1 1 73 73 SER CA C 608 60.134 60.134 60.441 -0.308 18115
2533 1 6 . 1 1 73 73 SER CB C 608 63.480 63.480 63.077 0.403 18115
2534 1 6 . 1 1 73 73 SER H H 608 8.001 8.001 8.457 -0.456 18115
2535 1 6 . 1 1 74 74 GLY N N 609 109.991 109.991 107.786 2.205 18115
2536 1 6 . 1 1 74 74 GLY C C 609 173.508 173.508 173.950 -0.442 18115
2537 1 6 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.776 0.539 18115
2538 1 6 . 1 1 74 74 GLY H H 609 7.924 7.924 7.745 0.179 18115
2539 1 7 . 1 1 3 3 ALA N N 538 127.340 127.340 124.981 2.359 18115
2540 1 7 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.968 0.139 18115
2541 1 7 . 1 1 3 3 ALA C C 538 179.658 179.658 178.394 1.264 18115
2542 1 7 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.331 0.460 18115
2543 1 7 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.483 0.124 18115
2544 1 7 . 1 1 3 3 ALA H H 538 8.781 8.781 8.093 0.688 18115
2545 1 7 . 1 1 4 4 LYS N N 539 120.439 120.439 117.132 3.307 18115
2546 1 7 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.414 -0.149 18115
2547 1 7 . 1 1 4 4 LYS C C 539 177.428 177.428 177.988 -0.560 18115
2548 1 7 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.617 1.124 18115
2549 1 7 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.633 0.609 18115
2550 1 7 . 1 1 4 4 LYS H H 539 8.006 8.006 7.734 0.272 18115
2551 1 7 . 1 1 5 5 ASN N N 540 117.109 117.109 117.730 -0.621 18115
2552 1 7 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.419 -0.038 18115
2553 1 7 . 1 1 5 5 ASN C C 540 177.598 177.598 177.386 0.212 18115
2554 1 7 . 1 1 5 5 ASN CA C 540 55.758 55.758 55.989 -0.231 18115
2555 1 7 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.727 0.559 18115
2556 1 7 . 1 1 5 5 ASN H H 540 7.789 7.789 7.770 0.019 18115
2557 1 7 . 1 1 6 6 ALA N N 541 122.489 122.489 123.318 -0.829 18115
2558 1 7 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.165 -0.061 18115
2559 1 7 . 1 1 6 6 ALA C C 541 180.393 180.393 179.969 0.424 18115
2560 1 7 . 1 1 6 6 ALA CA C 541 55.036 55.036 54.966 0.070 18115
2561 1 7 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.474 -0.318 18115
2562 1 7 . 1 1 6 6 ALA H H 541 8.209 8.209 7.430 0.779 18115
2563 1 7 . 1 1 7 7 LEU N N 542 120.603 120.603 119.973 0.630 18115
2564 1 7 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.125 0.068 18115
2565 1 7 . 1 1 7 7 LEU C C 542 177.015 177.015 178.816 -1.801 18115
2566 1 7 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.117 -0.162 18115
2567 1 7 . 1 1 7 7 LEU CB C 542 41.223 41.223 41.079 0.144 18115
2568 1 7 . 1 1 7 7 LEU H H 542 7.775 7.775 8.533 -0.758 18115
2569 1 7 . 1 1 8 8 GLU N N 543 119.550 119.550 119.920 -0.370 18115
2570 1 7 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.149 -0.594 18115
2571 1 7 . 1 1 8 8 GLU C C 543 177.949 177.949 179.144 -1.195 18115
2572 1 7 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.262 0.050 18115
2573 1 7 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.836 0.589 18115
2574 1 7 . 1 1 8 8 GLU H H 543 8.418 8.418 8.658 -0.240 18115
2575 1 7 . 1 1 9 9 SER N N 544 112.181 112.181 116.057 -3.876 18115
2576 1 7 . 1 1 9 9 SER HA H 544 4.192 4.192 4.246 -0.054 18115
2577 1 7 . 1 1 9 9 SER C C 544 176.285 176.285 176.726 -0.441 18115
2578 1 7 . 1 1 9 9 SER CA C 544 61.890 61.890 62.068 -0.178 18115
2579 1 7 . 1 1 9 9 SER CB C 544 63.000 63.000 63.112 -0.112 18115
2580 1 7 . 1 1 9 9 SER H H 544 8.313 8.313 8.075 0.238 18115
2581 1 7 . 1 1 10 10 TYR N N 545 122.309 122.309 123.579 -1.270 18115
2582 1 7 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.173 0.216 18115
2583 1 7 . 1 1 10 10 TYR C C 545 177.193 177.193 176.890 0.303 18115
2584 1 7 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.575 -0.233 18115
2585 1 7 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.414 0.473 18115
2586 1 7 . 1 1 10 10 TYR H H 545 7.811 7.811 8.146 -0.335 18115
2587 1 7 . 1 1 11 11 ALA N N 546 120.404 120.404 122.282 -1.878 18115
2588 1 7 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.173 -0.384 18115
2589 1 7 . 1 1 11 11 ALA C C 546 179.480 179.480 179.652 -0.172 18115
2590 1 7 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.916 0.772 18115
2591 1 7 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.197 -0.571 18115
2592 1 7 . 1 1 11 11 ALA H H 546 8.456 8.456 8.834 -0.378 18115
2593 1 7 . 1 1 12 12 PHE N N 547 116.158 116.158 118.049 -1.891 18115
2594 1 7 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.122 0.023 18115
2595 1 7 . 1 1 12 12 PHE C C 547 179.133 179.133 177.889 1.244 18115
2596 1 7 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.802 -1.389 18115
2597 1 7 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.817 -0.537 18115
2598 1 7 . 1 1 12 12 PHE H H 547 8.430 8.430 9.012 -0.582 18115
2599 1 7 . 1 1 13 13 ASN N N 548 120.231 120.231 118.725 1.506 18115
2600 1 7 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.462 -0.043 18115
2601 1 7 . 1 1 13 13 ASN C C 548 178.326 178.326 177.835 0.491 18115
2602 1 7 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.668 -0.716 18115
2603 1 7 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.531 -0.577 18115
2604 1 7 . 1 1 13 13 ASN H H 548 8.654 8.654 8.124 0.530 18115
2605 1 7 . 1 1 14 14 MET N N 549 121.990 121.990 118.474 3.516 18115
2606 1 7 . 1 1 14 14 MET HA H 549 4.278 4.278 4.177 0.101 18115
2607 1 7 . 1 1 14 14 MET C C 549 176.929 176.929 178.203 -1.274 18115
2608 1 7 . 1 1 14 14 MET CA C 549 57.182 57.182 57.831 -0.649 18115
2609 1 7 . 1 1 14 14 MET CB C 549 32.998 32.998 31.736 1.262 18115
2610 1 7 . 1 1 14 14 MET H H 549 8.331 8.331 8.193 0.138 18115
2611 1 7 . 1 1 15 15 LYS N N 550 119.946 119.946 120.925 -0.979 18115
2612 1 7 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.863 -0.148 18115
2613 1 7 . 1 1 15 15 LYS C C 550 177.879 177.879 178.907 -1.028 18115
2614 1 7 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.170 -0.199 18115
2615 1 7 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.103 0.707 18115
2616 1 7 . 1 1 15 15 LYS H H 550 7.731 7.731 8.273 -0.542 18115
2617 1 7 . 1 1 16 16 SER N N 551 111.477 111.477 114.910 -3.433 18115
2618 1 7 . 1 1 16 16 SER HA H 551 4.093 4.093 4.235 -0.142 18115
2619 1 7 . 1 1 16 16 SER C C 551 177.031 177.031 176.368 0.663 18115
2620 1 7 . 1 1 16 16 SER CA C 551 61.173 61.173 61.098 0.075 18115
2621 1 7 . 1 1 16 16 SER CB C 551 63.007 63.007 63.114 -0.107 18115
2622 1 7 . 1 1 16 16 SER H H 551 7.766 7.766 8.316 -0.549 18115
2623 1 7 . 1 1 17 17 ALA N N 552 123.689 123.689 122.856 0.833 18115
2624 1 7 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.128 -0.045 18115
2625 1 7 . 1 1 17 17 ALA C C 552 180.384 180.384 180.180 0.204 18115
2626 1 7 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.764 0.523 18115
2627 1 7 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.686 -0.521 18115
2628 1 7 . 1 1 17 17 ALA H H 552 8.089 8.089 7.957 0.132 18115
2629 1 7 . 1 1 18 18 VAL N N 553 109.294 109.294 113.893 -4.599 18115
2630 1 7 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.822 0.194 18115
2631 1 7 . 1 1 18 18 VAL C C 553 176.352 176.352 177.398 -1.046 18115
2632 1 7 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.174 -1.416 18115
2633 1 7 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.841 -0.189 18115
2634 1 7 . 1 1 18 18 VAL H H 553 7.560 7.560 7.605 -0.045 18115
2635 1 7 . 1 1 19 19 GLU N N 554 118.414 118.414 117.099 1.315 18115
2636 1 7 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.221 -0.006 18115
2637 1 7 . 1 1 19 19 GLU C C 554 176.794 176.794 175.989 0.805 18115
2638 1 7 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.512 0.232 18115
2639 1 7 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.430 0.729 18115
2640 1 7 . 1 1 19 19 GLU H H 554 7.389 7.389 7.780 -0.391 18115
2641 1 7 . 1 1 20 20 ASP N N 555 120.735 120.735 120.239 0.496 18115
2642 1 7 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.502 -0.135 18115
2643 1 7 . 1 1 20 20 ASP C C 555 178.171 178.171 177.306 0.865 18115
2644 1 7 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.539 1.328 18115
2645 1 7 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.447 0.427 18115
2646 1 7 . 1 1 20 20 ASP H H 555 7.224 7.224 7.147 0.077 18115
2647 1 7 . 1 1 21 21 GLU N N 556 126.927 126.927 124.376 2.551 18115
2648 1 7 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.116 -0.135 18115
2649 1 7 . 1 1 21 21 GLU C C 556 178.691 178.691 177.203 1.488 18115
2650 1 7 . 1 1 21 21 GLU CA C 556 59.144 59.144 58.633 0.511 18115
2651 1 7 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.164 0.386 18115
2652 1 7 . 1 1 21 21 GLU H H 556 9.007 9.007 8.763 0.244 18115
2653 1 7 . 1 1 22 22 GLY N N 557 108.255 108.255 105.797 2.458 18115
2654 1 7 . 1 1 22 22 GLY C C 557 175.344 175.344 176.224 -0.880 18115
2655 1 7 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.623 0.785 18115
2656 1 7 . 1 1 22 22 GLY H H 557 9.031 9.031 8.433 0.598 18115
2657 1 7 . 1 1 23 23 LEU N N 558 119.463 119.463 122.627 -3.164 18115
2658 1 7 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.159 0.187 18115
2659 1 7 . 1 1 23 23 LEU C C 558 177.893 177.893 177.722 0.171 18115
2660 1 7 . 1 1 23 23 LEU CA C 558 54.920 54.920 56.225 -1.305 18115
2661 1 7 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.036 0.350 18115
2662 1 7 . 1 1 23 23 LEU H H 558 7.606 7.606 8.621 -1.015 18115
2663 1 7 . 1 1 24 24 LYS N N 559 120.994 120.994 118.008 2.986 18115
2664 1 7 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.195 -0.123 18115
2665 1 7 . 1 1 24 24 LYS C C 559 177.830 177.830 177.896 -0.066 18115
2666 1 7 . 1 1 24 24 LYS CA C 559 58.477 58.477 58.475 0.002 18115
2667 1 7 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.864 0.495 18115
2668 1 7 . 1 1 24 24 LYS H H 559 7.572 7.572 7.937 -0.365 18115
2669 1 7 . 1 1 25 25 GLY N N 560 111.895 111.895 105.948 5.947 18115
2670 1 7 . 1 1 25 25 GLY C C 560 174.451 174.451 174.837 -0.386 18115
2671 1 7 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.097 0.489 18115
2672 1 7 . 1 1 25 25 GLY H H 560 8.770 8.770 7.727 1.043 18115
2673 1 7 . 1 1 26 26 LYS N N 561 118.925 118.925 119.393 -0.468 18115
2674 1 7 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.441 -0.105 18115
2675 1 7 . 1 1 26 26 LYS C C 561 175.860 175.860 176.753 -0.893 18115
2676 1 7 . 1 1 26 26 LYS CA C 561 56.866 56.866 56.676 0.190 18115
2677 1 7 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.950 0.251 18115
2678 1 7 . 1 1 26 26 LYS H H 561 8.116 8.116 7.787 0.329 18115
2679 1 7 . 1 1 27 27 ILE N N 562 116.463 116.463 120.835 -4.372 18115
2680 1 7 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.242 0.256 18115
2681 1 7 . 1 1 27 27 ILE C C 562 174.838 174.838 173.991 0.847 18115
2682 1 7 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.920 -0.532 18115
2683 1 7 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.678 -0.009 18115
2684 1 7 . 1 1 27 27 ILE H H 562 7.430 7.430 7.771 -0.341 18115
2685 1 7 . 1 1 28 28 SER N N 563 124.501 124.501 121.808 2.693 18115
2686 1 7 . 1 1 28 28 SER HA H 563 4.404 4.404 4.566 -0.162 18115
2687 1 7 . 1 1 28 28 SER C C 563 174.870 174.870 175.546 -0.676 18115
2688 1 7 . 1 1 28 28 SER CA C 563 57.432 57.432 57.804 -0.372 18115
2689 1 7 . 1 1 28 28 SER CB C 563 64.793 64.793 64.215 0.578 18115
2690 1 7 . 1 1 28 28 SER H H 563 9.375 9.375 8.478 0.897 18115
2691 1 7 . 1 1 29 29 GLU N N 564 122.048 122.048 124.269 -2.221 18115
2692 1 7 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.971 -0.071 18115
2693 1 7 . 1 1 29 29 GLU C C 564 179.396 179.396 178.910 0.486 18115
2694 1 7 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.917 -0.203 18115
2695 1 7 . 1 1 29 29 GLU CB C 564 29.218 29.218 28.950 0.268 18115
2696 1 7 . 1 1 29 29 GLU H H 564 8.970 8.970 9.029 -0.059 18115
2697 1 7 . 1 1 30 30 ALA N N 565 120.829 120.829 122.763 -1.934 18115
2698 1 7 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.124 -0.078 18115
2699 1 7 . 1 1 30 30 ALA C C 565 180.524 180.524 179.490 1.034 18115
2700 1 7 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.482 -0.444 18115
2701 1 7 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.757 0.706 18115
2702 1 7 . 1 1 30 30 ALA H H 565 8.465 8.465 8.432 0.033 18115
2703 1 7 . 1 1 31 31 ASP N N 566 121.111 121.111 119.033 2.078 18115
2704 1 7 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.314 0.125 18115
2705 1 7 . 1 1 31 31 ASP C C 566 177.738 177.738 178.659 -0.921 18115
2706 1 7 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.945 -0.639 18115
2707 1 7 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.250 -0.295 18115
2708 1 7 . 1 1 31 31 ASP H H 566 7.835 7.835 8.436 -0.601 18115
2709 1 7 . 1 1 32 32 LYS N N 567 121.278 121.278 121.236 0.042 18115
2710 1 7 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.849 -0.256 18115
2711 1 7 . 1 1 32 32 LYS C C 567 177.700 177.700 178.618 -0.918 18115
2712 1 7 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.716 0.837 18115
2713 1 7 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.410 0.186 18115
2714 1 7 . 1 1 32 32 LYS H H 567 8.379 8.379 8.146 0.233 18115
2715 1 7 . 1 1 33 33 LYS N N 568 117.531 117.531 118.942 -1.411 18115
2716 1 7 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.953 -0.114 18115
2717 1 7 . 1 1 33 33 LYS C C 568 177.391 177.391 178.715 -1.324 18115
2718 1 7 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.793 -0.386 18115
2719 1 7 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.526 -0.045 18115
2720 1 7 . 1 1 33 33 LYS H H 568 7.846 7.846 8.294 -0.448 18115
2721 1 7 . 1 1 34 34 LYS N N 569 118.376 118.376 118.406 -0.030 18115
2722 1 7 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.063 -0.064 18115
2723 1 7 . 1 1 34 34 LYS C C 569 180.064 180.064 178.999 1.065 18115
2724 1 7 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.221 0.732 18115
2725 1 7 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.191 0.663 18115
2726 1 7 . 1 1 34 34 LYS H H 569 7.647 7.647 7.996 -0.349 18115
2727 1 7 . 1 1 35 35 VAL N N 570 118.353 118.353 120.906 -2.553 18115
2728 1 7 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.745 -0.271 18115
2729 1 7 . 1 1 35 35 VAL C C 570 178.019 178.019 177.441 0.578 18115
2730 1 7 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.851 1.101 18115
2731 1 7 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.081 0.452 18115
2732 1 7 . 1 1 35 35 VAL H H 570 7.638 7.638 7.822 -0.184 18115
2733 1 7 . 1 1 36 36 LEU N N 571 120.671 120.671 121.178 -0.507 18115
2734 1 7 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.806 -0.016 18115
2735 1 7 . 1 1 36 36 LEU C C 571 180.444 180.444 178.811 1.633 18115
2736 1 7 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.826 0.087 18115
2737 1 7 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.245 -0.037 18115
2738 1 7 . 1 1 36 36 LEU H H 571 8.693 8.693 8.099 0.594 18115
2739 1 7 . 1 1 37 37 ASP N N 572 120.071 120.071 119.211 0.860 18115
2740 1 7 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.278 0.041 18115
2741 1 7 . 1 1 37 37 ASP C C 572 179.345 179.345 178.583 0.762 18115
2742 1 7 . 1 1 37 37 ASP CA C 572 57.283 57.283 58.010 -0.727 18115
2743 1 7 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.999 -1.323 18115
2744 1 7 . 1 1 37 37 ASP H H 572 9.265 9.265 8.041 1.224 18115
2745 1 7 . 1 1 38 38 LYS N N 573 121.858 121.858 121.079 0.779 18115
2746 1 7 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.402 -0.142 18115
2747 1 7 . 1 1 38 38 LYS C C 573 178.856 178.856 178.951 -0.095 18115
2748 1 7 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.559 -1.498 18115
2749 1 7 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.891 -0.905 18115
2750 1 7 . 1 1 38 38 LYS H H 573 7.674 7.674 8.038 -0.364 18115
2751 1 7 . 1 1 39 39 CYS N N 574 117.635 117.635 118.630 -0.995 18115
2752 1 7 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.087 -0.224 18115
2753 1 7 . 1 1 39 39 CYS C C 574 176.479 176.479 176.982 -0.503 18115
2754 1 7 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.289 1.281 18115
2755 1 7 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.977 -0.298 18115
2756 1 7 . 1 1 39 39 CYS H H 574 8.818 8.818 8.585 0.233 18115
2757 1 7 . 1 1 40 40 GLN N N 575 118.089 118.089 119.262 -1.173 18115
2758 1 7 . 1 1 40 40 GLN HA H 575 3.959 3.959 3.997 -0.038 18115
2759 1 7 . 1 1 40 40 GLN C C 575 178.023 178.023 178.796 -0.773 18115
2760 1 7 . 1 1 40 40 GLN CA C 575 58.669 58.669 59.001 -0.332 18115
2761 1 7 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.191 -0.101 18115
2762 1 7 . 1 1 40 40 GLN H H 575 8.203 8.203 8.322 -0.119 18115
2763 1 7 . 1 1 41 41 GLU N N 576 121.535 121.535 120.857 0.678 18115
2764 1 7 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.053 -0.061 18115
2765 1 7 . 1 1 41 41 GLU C C 576 179.586 179.586 179.364 0.222 18115
2766 1 7 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.490 0.399 18115
2767 1 7 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.604 0.409 18115
2768 1 7 . 1 1 41 41 GLU H H 576 8.074 8.074 8.013 0.061 18115
2769 1 7 . 1 1 42 42 VAL N N 577 120.038 120.038 119.947 0.091 18115
2770 1 7 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.842 -0.131 18115
2771 1 7 . 1 1 42 42 VAL C C 577 177.102 177.102 177.652 -0.550 18115
2772 1 7 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.673 1.447 18115
2773 1 7 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.900 -0.368 18115
2774 1 7 . 1 1 42 42 VAL H H 577 8.144 8.144 7.939 0.205 18115
2775 1 7 . 1 1 43 43 ILE N N 578 122.306 122.306 120.575 1.731 18115
2776 1 7 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.721 -0.024 18115
2777 1 7 . 1 1 43 43 ILE C C 578 178.491 178.491 177.849 0.642 18115
2778 1 7 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.027 -0.409 18115
2779 1 7 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.707 -0.020 18115
2780 1 7 . 1 1 43 43 ILE H H 578 8.504 8.504 8.638 -0.134 18115
2781 1 7 . 1 1 44 44 SER N N 579 115.928 115.928 115.669 0.259 18115
2782 1 7 . 1 1 44 44 SER HA H 579 4.265 4.265 4.254 0.011 18115
2783 1 7 . 1 1 44 44 SER C C 579 177.129 177.129 176.793 0.336 18115
2784 1 7 . 1 1 44 44 SER CA C 579 62.208 62.208 61.475 0.733 18115
2785 1 7 . 1 1 44 44 SER CB C 579 62.906 62.906 62.895 0.011 18115
2786 1 7 . 1 1 44 44 SER H H 579 8.562 8.562 8.520 0.042 18115
2787 1 7 . 1 1 45 45 TRP N N 580 124.917 124.917 125.249 -0.332 18115
2788 1 7 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.451 -0.410 18115
2789 1 7 . 1 1 45 45 TRP C C 580 179.278 179.278 177.650 1.628 18115
2790 1 7 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.122 1.383 18115
2791 1 7 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.681 -1.163 18115
2792 1 7 . 1 1 45 45 TRP H H 580 8.406 8.406 7.813 0.593 18115
2793 1 7 . 1 1 46 46 LEU N N 581 122.211 122.211 119.898 2.313 18115
2794 1 7 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.735 -0.079 18115
2795 1 7 . 1 1 46 46 LEU C C 581 179.119 179.119 178.453 0.666 18115
2796 1 7 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.051 0.383 18115
2797 1 7 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.821 0.718 18115
2798 1 7 . 1 1 46 46 LEU H H 581 9.012 9.012 8.570 0.442 18115
2799 1 7 . 1 1 47 47 ASP N N 582 117.724 117.724 117.538 0.186 18115
2800 1 7 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.363 -0.085 18115
2801 1 7 . 1 1 47 47 ASP C C 582 177.154 177.154 177.795 -0.641 18115
2802 1 7 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.643 0.151 18115
2803 1 7 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.114 0.075 18115
2804 1 7 . 1 1 47 47 ASP H H 582 7.665 7.665 7.800 -0.135 18115
2805 1 7 . 1 1 48 48 ALA N N 583 118.604 118.604 119.708 -1.104 18115
2806 1 7 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.196 0.092 18115
2807 1 7 . 1 1 48 48 ALA C C 583 177.776 177.776 177.807 -0.031 18115
2808 1 7 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.463 -1.110 18115
2809 1 7 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.651 0.242 18115
2810 1 7 . 1 1 48 48 ALA H H 583 7.129 7.129 6.888 0.241 18115
2811 1 7 . 1 1 49 49 ASN N N 584 118.883 118.883 117.107 1.776 18115
2812 1 7 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.834 -0.163 18115
2813 1 7 . 1 1 49 49 ASN C C 584 174.761 174.761 175.414 -0.653 18115
2814 1 7 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.424 0.424 18115
2815 1 7 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.747 -0.779 18115
2816 1 7 . 1 1 49 49 ASN H H 584 7.284 7.284 7.859 -0.575 18115
2817 1 7 . 1 1 50 50 THR N N 585 112.258 112.258 113.337 -1.079 18115
2818 1 7 . 1 1 50 50 THR HA H 585 3.967 3.967 4.209 -0.242 18115
2819 1 7 . 1 1 50 50 THR C C 585 175.787 175.787 175.408 0.379 18115
2820 1 7 . 1 1 50 50 THR CA C 585 65.175 65.175 64.015 1.160 18115
2821 1 7 . 1 1 50 50 THR CB C 585 69.336 69.336 68.871 0.465 18115
2822 1 7 . 1 1 50 50 THR H H 585 7.615 7.615 8.195 -0.580 18115
2823 1 7 . 1 1 51 51 LEU N N 586 120.550 120.550 119.490 1.060 18115
2824 1 7 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.550 -0.006 18115
2825 1 7 . 1 1 51 51 LEU C C 586 176.635 176.635 177.052 -0.417 18115
2826 1 7 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.825 0.136 18115
2827 1 7 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.342 0.730 18115
2828 1 7 . 1 1 51 51 LEU H H 586 8.254 8.254 7.670 0.584 18115
2829 1 7 . 1 1 52 52 ALA N N 587 123.048 123.048 122.952 0.096 18115
2830 1 7 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.199 -0.123 18115
2831 1 7 . 1 1 52 52 ALA C C 587 176.356 176.356 177.162 -0.806 18115
2832 1 7 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.117 0.478 18115
2833 1 7 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.443 -0.012 18115
2834 1 7 . 1 1 52 52 ALA H H 587 7.124 7.124 7.114 0.010 18115
2835 1 7 . 1 1 53 53 GLU N N 588 118.471 118.471 121.415 -2.944 18115
2836 1 7 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.387 -0.027 18115
2837 1 7 . 1 1 53 53 GLU C C 588 177.945 177.945 178.038 -0.093 18115
2838 1 7 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.910 -0.173 18115
2839 1 7 . 1 1 53 53 GLU CB C 588 31.199 31.199 31.036 0.163 18115
2840 1 7 . 1 1 53 53 GLU H H 588 8.429 8.429 8.339 0.090 18115
2841 1 7 . 1 1 54 54 LYS N N 589 121.635 121.635 122.006 -0.371 18115
2842 1 7 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.269 -0.119 18115
2843 1 7 . 1 1 54 54 LYS C C 589 178.445 178.445 177.924 0.521 18115
2844 1 7 . 1 1 54 54 LYS CA C 589 60.707 60.707 59.954 0.753 18115
2845 1 7 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.084 0.706 18115
2846 1 7 . 1 1 54 54 LYS H H 589 8.763 8.763 8.852 -0.089 18115
2847 1 7 . 1 1 55 55 ASP N N 590 116.537 116.537 117.840 -1.303 18115
2848 1 7 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.465 -0.145 18115
2849 1 7 . 1 1 55 55 ASP C C 590 178.649 178.649 178.555 0.094 18115
2850 1 7 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.181 -0.169 18115
2851 1 7 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.904 0.185 18115
2852 1 7 . 1 1 55 55 ASP H H 590 8.814 8.814 8.795 0.019 18115
2853 1 7 . 1 1 56 56 GLU N N 591 119.611 119.611 120.198 -0.587 18115
2854 1 7 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.135 -0.070 18115
2855 1 7 . 1 1 56 56 GLU C C 591 179.582 179.582 178.839 0.743 18115
2856 1 7 . 1 1 56 56 GLU CA C 591 59.513 59.513 58.989 0.524 18115
2857 1 7 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.268 0.545 18115
2858 1 7 . 1 1 56 56 GLU H H 591 7.785 7.785 7.855 -0.070 18115
2859 1 7 . 1 1 57 57 PHE N N 592 117.509 117.509 118.844 -1.335 18115
2860 1 7 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.424 -0.199 18115
2861 1 7 . 1 1 57 57 PHE C C 592 178.436 178.436 178.300 0.136 18115
2862 1 7 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.380 0.231 18115
2863 1 7 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.695 0.139 18115
2864 1 7 . 1 1 57 57 PHE H H 592 7.443 7.443 7.689 -0.246 18115
2865 1 7 . 1 1 58 58 GLU N N 593 118.501 118.501 119.978 -1.477 18115
2866 1 7 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.998 0.136 18115
2867 1 7 . 1 1 58 58 GLU C C 593 178.855 178.855 179.140 -0.285 18115
2868 1 7 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.820 -0.836 18115
2869 1 7 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.062 0.004 18115
2870 1 7 . 1 1 58 58 GLU H H 593 7.952 7.952 8.676 -0.724 18115
2871 1 7 . 1 1 59 59 HIS N N 594 118.563 118.563 118.558 0.005 18115
2872 1 7 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.236 -0.023 18115
2873 1 7 . 1 1 59 59 HIS C C 594 177.856 177.856 177.196 0.660 18115
2874 1 7 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.368 -0.100 18115
2875 1 7 . 1 1 59 59 HIS CB C 594 29.037 29.037 30.183 -1.146 18115
2876 1 7 . 1 1 59 59 HIS H H 594 8.126 8.126 8.430 -0.304 18115
2877 1 7 . 1 1 60 60 LYS N N 595 119.034 119.034 119.767 -0.733 18115
2878 1 7 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.677 0.017 18115
2879 1 7 . 1 1 60 60 LYS C C 595 178.057 178.057 178.570 -0.513 18115
2880 1 7 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.344 -1.197 18115
2881 1 7 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.907 -1.130 18115
2882 1 7 . 1 1 60 60 LYS H H 595 7.733 7.733 7.885 -0.152 18115
2883 1 7 . 1 1 61 61 ARG N N 596 120.071 120.071 119.828 0.243 18115
2884 1 7 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.683 -0.034 18115
2885 1 7 . 1 1 61 61 ARG C C 596 177.921 177.921 178.082 -0.161 18115
2886 1 7 . 1 1 61 61 ARG CA C 596 60.178 60.178 60.058 0.120 18115
2887 1 7 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.998 -0.193 18115
2888 1 7 . 1 1 61 61 ARG H H 596 8.167 8.167 8.445 -0.278 18115
2889 1 7 . 1 1 62 62 LYS N N 597 118.731 118.731 118.123 0.608 18115
2890 1 7 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.135 -0.249 18115
2891 1 7 . 1 1 62 62 LYS C C 597 178.963 178.963 179.429 -0.466 18115
2892 1 7 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.392 0.845 18115
2893 1 7 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.523 0.376 18115
2894 1 7 . 1 1 62 62 LYS H H 597 7.948 7.948 7.593 0.355 18115
2895 1 7 . 1 1 63 63 GLU N N 598 118.881 118.881 119.250 -0.369 18115
2896 1 7 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.901 -0.025 18115
2897 1 7 . 1 1 63 63 GLU C C 598 179.408 179.408 178.801 0.607 18115
2898 1 7 . 1 1 63 63 GLU CA C 598 59.385 59.385 58.737 0.648 18115
2899 1 7 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.085 1.318 18115
2900 1 7 . 1 1 63 63 GLU H H 598 7.794 7.794 7.801 -0.007 18115
2901 1 7 . 1 1 64 64 LEU N N 599 119.904 119.904 120.919 -1.015 18115
2902 1 7 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.892 0.178 18115
2903 1 7 . 1 1 64 64 LEU C C 599 178.814 178.814 178.670 0.144 18115
2904 1 7 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.695 0.301 18115
2905 1 7 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.354 0.666 18115
2906 1 7 . 1 1 64 64 LEU H H 599 7.800 7.800 8.443 -0.643 18115
2907 1 7 . 1 1 65 65 GLU N N 600 122.446 122.446 119.124 3.322 18115
2908 1 7 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.086 0.080 18115
2909 1 7 . 1 1 65 65 GLU C C 600 178.550 178.550 179.579 -1.029 18115
2910 1 7 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.413 0.318 18115
2911 1 7 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.389 0.880 18115
2912 1 7 . 1 1 65 65 GLU H H 600 8.948 8.948 8.495 0.453 18115
2913 1 7 . 1 1 66 66 GLN N N 601 116.068 116.068 118.137 -2.069 18115
2914 1 7 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.069 -0.118 18115
2915 1 7 . 1 1 66 66 GLN C C 601 178.277 178.277 177.908 0.369 18115
2916 1 7 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.367 0.159 18115
2917 1 7 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.535 0.087 18115
2918 1 7 . 1 1 66 66 GLN H H 601 8.109 8.109 7.731 0.378 18115
2919 1 7 . 1 1 67 67 VAL N N 602 116.121 116.121 119.904 -3.783 18115
2920 1 7 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.911 -0.106 18115
2921 1 7 . 1 1 67 67 VAL C C 602 177.423 177.423 176.880 0.543 18115
2922 1 7 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.368 0.737 18115
2923 1 7 . 1 1 67 67 VAL CB C 602 33.177 33.177 31.910 1.267 18115
2924 1 7 . 1 1 67 67 VAL H H 602 7.171 7.171 7.444 -0.273 18115
2925 1 7 . 1 1 68 68 CYS N N 603 114.504 114.504 114.395 0.109 18115
2926 1 7 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.306 -0.308 18115
2927 1 7 . 1 1 68 68 CYS C C 603 176.503 176.503 176.457 0.046 18115
2928 1 7 . 1 1 68 68 CYS CA C 603 63.325 63.325 59.955 3.370 18115
2929 1 7 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.292 0.373 18115
2930 1 7 . 1 1 68 68 CYS H H 603 8.138 8.138 8.041 0.097 18115
2931 1 7 . 1 1 69 69 ASN N N 604 119.915 119.915 121.566 -1.651 18115
2932 1 7 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.492 0.082 18115
2933 1 7 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.442 0.373 18115
2934 1 7 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.401 -0.586 18115
2935 1 7 . 1 1 69 69 ASN H H 604 9.045 9.045 8.572 0.473 18115
2936 1 7 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.284 -0.013 18115
2937 1 7 . 1 1 70 70 PRO C C 605 177.471 177.471 176.763 0.708 18115
2938 1 7 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.190 0.480 18115
2939 1 7 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.517 0.071 18115
2940 1 7 . 1 1 71 71 ILE N N 606 115.752 115.752 112.609 3.143 18115
2941 1 7 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.066 -0.248 18115
2942 1 7 . 1 1 71 71 ILE C C 606 177.032 177.032 177.437 -0.405 18115
2943 1 7 . 1 1 71 71 ILE CA C 606 63.318 63.318 62.913 0.406 18115
2944 1 7 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.819 0.805 18115
2945 1 7 . 1 1 71 71 ILE H H 606 6.851 6.851 7.362 -0.511 18115
2946 1 7 . 1 1 72 72 ILE N N 607 116.042 116.042 122.493 -6.451 18115
2947 1 7 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.795 0.211 18115
2948 1 7 . 1 1 72 72 ILE C C 607 177.236 177.236 178.281 -1.045 18115
2949 1 7 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.778 -2.052 18115
2950 1 7 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.413 0.889 18115
2951 1 7 . 1 1 72 72 ILE H H 607 8.032 8.032 8.879 -0.847 18115
2952 1 7 . 1 1 73 73 SER N N 608 115.855 115.855 116.694 -0.839 18115
2953 1 7 . 1 1 73 73 SER HA H 608 4.277 4.277 4.280 -0.003 18115
2954 1 7 . 1 1 73 73 SER C C 608 175.111 175.111 175.807 -0.696 18115
2955 1 7 . 1 1 73 73 SER CA C 608 60.134 60.134 61.386 -1.252 18115
2956 1 7 . 1 1 73 73 SER CB C 608 63.480 63.480 62.856 0.624 18115
2957 1 7 . 1 1 73 73 SER H H 608 8.001 8.001 8.055 -0.054 18115
2958 1 7 . 1 1 74 74 GLY N N 609 109.991 109.991 107.127 2.864 18115
2959 1 7 . 1 1 74 74 GLY C C 609 173.508 173.508 173.677 -0.169 18115
2960 1 7 . 1 1 74 74 GLY CA C 609 45.315 45.315 45.020 0.295 18115
2961 1 7 . 1 1 74 74 GLY H H 609 7.924 7.924 7.686 0.238 18115
2962 1 8 . 1 1 3 3 ALA N N 538 127.340 127.340 125.498 1.842 18115
2963 1 8 . 1 1 3 3 ALA HA H 538 4.107 4.107 4.099 0.008 18115
2964 1 8 . 1 1 3 3 ALA C C 538 179.658 179.658 178.609 1.049 18115
2965 1 8 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.059 0.732 18115
2966 1 8 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.719 -0.112 18115
2967 1 8 . 1 1 3 3 ALA H H 538 8.781 8.781 8.318 0.463 18115
2968 1 8 . 1 1 4 4 LYS N N 539 120.439 120.439 118.305 2.134 18115
2969 1 8 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.632 -0.367 18115
2970 1 8 . 1 1 4 4 LYS C C 539 177.428 177.428 177.854 -0.426 18115
2971 1 8 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.727 1.014 18115
2972 1 8 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.580 0.662 18115
2973 1 8 . 1 1 4 4 LYS H H 539 8.006 8.006 7.955 0.051 18115
2974 1 8 . 1 1 5 5 ASN N N 540 117.109 117.109 116.652 0.457 18115
2975 1 8 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.401 -0.020 18115
2976 1 8 . 1 1 5 5 ASN C C 540 177.598 177.598 177.435 0.163 18115
2977 1 8 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.079 -0.321 18115
2978 1 8 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.524 0.762 18115
2979 1 8 . 1 1 5 5 ASN H H 540 7.789 7.789 8.219 -0.430 18115
2980 1 8 . 1 1 6 6 ALA N N 541 122.489 122.489 123.427 -0.938 18115
2981 1 8 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.157 -0.053 18115
2982 1 8 . 1 1 6 6 ALA C C 541 180.393 180.393 179.895 0.498 18115
2983 1 8 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.046 -0.010 18115
2984 1 8 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.467 -0.312 18115
2985 1 8 . 1 1 6 6 ALA H H 541 8.209 8.209 7.922 0.287 18115
2986 1 8 . 1 1 7 7 LEU N N 542 120.603 120.603 119.891 0.712 18115
2987 1 8 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.072 0.121 18115
2988 1 8 . 1 1 7 7 LEU C C 542 177.015 177.015 179.118 -2.103 18115
2989 1 8 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.079 -0.124 18115
2990 1 8 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.842 0.381 18115
2991 1 8 . 1 1 7 7 LEU H H 542 7.775 7.775 8.244 -0.469 18115
2992 1 8 . 1 1 8 8 GLU N N 543 119.550 119.550 120.150 -0.600 18115
2993 1 8 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.087 -0.532 18115
2994 1 8 . 1 1 8 8 GLU C C 543 177.949 177.949 179.230 -1.281 18115
2995 1 8 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.275 0.037 18115
2996 1 8 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.824 0.601 18115
2997 1 8 . 1 1 8 8 GLU H H 543 8.418 8.418 8.958 -0.540 18115
2998 1 8 . 1 1 9 9 SER N N 544 112.181 112.181 115.640 -3.459 18115
2999 1 8 . 1 1 9 9 SER HA H 544 4.192 4.192 4.251 -0.059 18115
3000 1 8 . 1 1 9 9 SER C C 544 176.285 176.285 176.913 -0.628 18115
3001 1 8 . 1 1 9 9 SER CA C 544 61.890 61.890 61.561 0.329 18115
3002 1 8 . 1 1 9 9 SER CB C 544 63.000 63.000 62.754 0.246 18115
3003 1 8 . 1 1 9 9 SER H H 544 8.313 8.313 8.169 0.144 18115
3004 1 8 . 1 1 10 10 TYR N N 545 122.309 122.309 123.815 -1.506 18115
3005 1 8 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.179 0.210 18115
3006 1 8 . 1 1 10 10 TYR C C 545 177.193 177.193 176.956 0.237 18115
3007 1 8 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.428 -0.086 18115
3008 1 8 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.239 0.648 18115
3009 1 8 . 1 1 10 10 TYR H H 545 7.811 7.811 8.250 -0.439 18115
3010 1 8 . 1 1 11 11 ALA N N 546 120.404 120.404 122.230 -1.826 18115
3011 1 8 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.146 -0.357 18115
3012 1 8 . 1 1 11 11 ALA C C 546 179.480 179.480 179.609 -0.129 18115
3013 1 8 . 1 1 11 11 ALA CA C 546 55.688 55.688 55.307 0.381 18115
3014 1 8 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.026 -0.400 18115
3015 1 8 . 1 1 11 11 ALA H H 546 8.456 8.456 8.709 -0.253 18115
3016 1 8 . 1 1 12 12 PHE N N 547 116.158 116.158 118.847 -2.689 18115
3017 1 8 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.195 -0.050 18115
3018 1 8 . 1 1 12 12 PHE C C 547 179.133 179.133 177.928 1.205 18115
3019 1 8 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.329 -0.916 18115
3020 1 8 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.726 -0.446 18115
3021 1 8 . 1 1 12 12 PHE H H 547 8.430 8.430 9.119 -0.689 18115
3022 1 8 . 1 1 13 13 ASN N N 548 120.231 120.231 118.430 1.801 18115
3023 1 8 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.471 -0.052 18115
3024 1 8 . 1 1 13 13 ASN C C 548 178.326 178.326 177.965 0.361 18115
3025 1 8 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.329 -0.377 18115
3026 1 8 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.094 -0.141 18115
3027 1 8 . 1 1 13 13 ASN H H 548 8.654 8.654 8.491 0.163 18115
3028 1 8 . 1 1 14 14 MET N N 549 121.990 121.990 118.650 3.340 18115
3029 1 8 . 1 1 14 14 MET HA H 549 4.278 4.278 4.221 0.057 18115
3030 1 8 . 1 1 14 14 MET C C 549 176.929 176.929 178.240 -1.311 18115
3031 1 8 . 1 1 14 14 MET CA C 549 57.182 57.182 57.726 -0.544 18115
3032 1 8 . 1 1 14 14 MET CB C 549 32.998 32.998 31.833 1.165 18115
3033 1 8 . 1 1 14 14 MET H H 549 8.331 8.331 8.161 0.170 18115
3034 1 8 . 1 1 15 15 LYS N N 550 119.946 119.946 121.341 -1.395 18115
3035 1 8 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.883 -0.168 18115
3036 1 8 . 1 1 15 15 LYS C C 550 177.879 177.879 178.945 -1.066 18115
3037 1 8 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.162 -0.191 18115
3038 1 8 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.110 0.700 18115
3039 1 8 . 1 1 15 15 LYS H H 550 7.731 7.731 8.522 -0.791 18115
3040 1 8 . 1 1 16 16 SER N N 551 111.477 111.477 114.687 -3.210 18115
3041 1 8 . 1 1 16 16 SER HA H 551 4.093 4.093 4.229 -0.136 18115
3042 1 8 . 1 1 16 16 SER C C 551 177.031 177.031 175.997 1.034 18115
3043 1 8 . 1 1 16 16 SER CA C 551 61.173 61.173 60.905 0.268 18115
3044 1 8 . 1 1 16 16 SER CB C 551 63.007 63.007 63.240 -0.233 18115
3045 1 8 . 1 1 16 16 SER H H 551 7.766 7.766 8.388 -0.622 18115
3046 1 8 . 1 1 17 17 ALA N N 552 123.689 123.689 122.428 1.261 18115
3047 1 8 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.160 -0.077 18115
3048 1 8 . 1 1 17 17 ALA C C 552 180.384 180.384 180.086 0.298 18115
3049 1 8 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.626 0.662 18115
3050 1 8 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.860 -0.695 18115
3051 1 8 . 1 1 17 17 ALA H H 552 8.089 8.089 7.740 0.349 18115
3052 1 8 . 1 1 18 18 VAL N N 553 109.294 109.294 113.505 -4.211 18115
3053 1 8 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.763 0.253 18115
3054 1 8 . 1 1 18 18 VAL C C 553 176.352 176.352 177.392 -1.040 18115
3055 1 8 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.375 -1.617 18115
3056 1 8 . 1 1 18 18 VAL CB C 553 31.652 31.652 32.056 -0.404 18115
3057 1 8 . 1 1 18 18 VAL H H 553 7.560 7.560 7.712 -0.152 18115
3058 1 8 . 1 1 19 19 GLU N N 554 118.414 118.414 116.928 1.486 18115
3059 1 8 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.295 -0.080 18115
3060 1 8 . 1 1 19 19 GLU C C 554 176.794 176.794 175.814 0.980 18115
3061 1 8 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.174 0.570 18115
3062 1 8 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.536 0.623 18115
3063 1 8 . 1 1 19 19 GLU H H 554 7.389 7.389 7.631 -0.242 18115
3064 1 8 . 1 1 20 20 ASP N N 555 120.735 120.735 120.528 0.207 18115
3065 1 8 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.480 -0.113 18115
3066 1 8 . 1 1 20 20 ASP C C 555 178.171 178.171 177.375 0.796 18115
3067 1 8 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.656 1.211 18115
3068 1 8 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.261 0.613 18115
3069 1 8 . 1 1 20 20 ASP H H 555 7.224 7.224 7.229 -0.005 18115
3070 1 8 . 1 1 21 21 GLU N N 556 126.927 126.927 124.401 2.526 18115
3071 1 8 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.163 -0.182 18115
3072 1 8 . 1 1 21 21 GLU C C 556 178.691 178.691 177.149 1.542 18115
3073 1 8 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.837 1.307 18115
3074 1 8 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.461 0.089 18115
3075 1 8 . 1 1 21 21 GLU H H 556 9.007 9.007 8.789 0.218 18115
3076 1 8 . 1 1 22 22 GLY N N 557 108.255 108.255 104.816 3.439 18115
3077 1 8 . 1 1 22 22 GLY C C 557 175.344 175.344 175.040 0.304 18115
3078 1 8 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.514 0.894 18115
3079 1 8 . 1 1 22 22 GLY H H 557 9.031 9.031 8.499 0.532 18115
3080 1 8 . 1 1 23 23 LEU N N 558 119.463 119.463 120.996 -1.533 18115
3081 1 8 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.341 0.005 18115
3082 1 8 . 1 1 23 23 LEU C C 558 177.893 177.893 175.922 1.971 18115
3083 1 8 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.305 0.615 18115
3084 1 8 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.425 -0.039 18115
3085 1 8 . 1 1 23 23 LEU H H 558 7.606 7.606 7.981 -0.375 18115
3086 1 8 . 1 1 24 24 LYS N N 559 120.994 120.994 119.250 1.744 18115
3087 1 8 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.128 -0.056 18115
3088 1 8 . 1 1 24 24 LYS C C 559 177.830 177.830 177.251 0.579 18115
3089 1 8 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.581 0.895 18115
3090 1 8 . 1 1 24 24 LYS CB C 559 32.359 32.359 32.033 0.326 18115
3091 1 8 . 1 1 24 24 LYS H H 559 7.572 7.572 7.601 -0.029 18115
3092 1 8 . 1 1 25 25 GLY N N 560 111.895 111.895 115.608 -3.713 18115
3093 1 8 . 1 1 25 25 GLY C C 560 174.451 174.451 175.061 -0.610 18115
3094 1 8 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.470 0.116 18115
3095 1 8 . 1 1 25 25 GLY H H 560 8.770 8.770 8.478 0.292 18115
3096 1 8 . 1 1 26 26 LYS N N 561 118.925 118.925 121.024 -2.099 18115
3097 1 8 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.198 0.138 18115
3098 1 8 . 1 1 26 26 LYS C C 561 175.860 175.860 176.614 -0.754 18115
3099 1 8 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.623 -0.757 18115
3100 1 8 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.061 1.140 18115
3101 1 8 . 1 1 26 26 LYS H H 561 8.116 8.116 7.923 0.193 18115
3102 1 8 . 1 1 27 27 ILE N N 562 116.463 116.463 119.379 -2.916 18115
3103 1 8 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.221 0.277 18115
3104 1 8 . 1 1 27 27 ILE C C 562 174.838 174.838 174.301 0.537 18115
3105 1 8 . 1 1 27 27 ILE CA C 562 59.388 59.388 60.208 -0.820 18115
3106 1 8 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.344 0.325 18115
3107 1 8 . 1 1 27 27 ILE H H 562 7.430 7.430 7.396 0.034 18115
3108 1 8 . 1 1 28 28 SER N N 563 124.501 124.501 121.784 2.717 18115
3109 1 8 . 1 1 28 28 SER HA H 563 4.404 4.404 4.598 -0.194 18115
3110 1 8 . 1 1 28 28 SER C C 563 174.870 174.870 175.423 -0.553 18115
3111 1 8 . 1 1 28 28 SER CA C 563 57.432 57.432 57.861 -0.429 18115
3112 1 8 . 1 1 28 28 SER CB C 563 64.793 64.793 64.255 0.538 18115
3113 1 8 . 1 1 28 28 SER H H 563 9.375 9.375 8.684 0.691 18115
3114 1 8 . 1 1 29 29 GLU N N 564 122.048 122.048 122.790 -0.742 18115
3115 1 8 . 1 1 29 29 GLU HA H 564 3.900 3.900 4.000 -0.100 18115
3116 1 8 . 1 1 29 29 GLU C C 564 179.396 179.396 178.461 0.935 18115
3117 1 8 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.550 0.164 18115
3118 1 8 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.149 0.069 18115
3119 1 8 . 1 1 29 29 GLU H H 564 8.970 8.970 8.993 -0.023 18115
3120 1 8 . 1 1 30 30 ALA N N 565 120.829 120.829 122.319 -1.490 18115
3121 1 8 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.070 -0.024 18115
3122 1 8 . 1 1 30 30 ALA C C 565 180.524 180.524 179.686 0.838 18115
3123 1 8 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.200 -0.162 18115
3124 1 8 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.670 0.793 18115
3125 1 8 . 1 1 30 30 ALA H H 565 8.465 8.465 8.425 0.040 18115
3126 1 8 . 1 1 31 31 ASP N N 566 121.111 121.111 118.618 2.493 18115
3127 1 8 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.323 0.116 18115
3128 1 8 . 1 1 31 31 ASP C C 566 177.738 177.738 178.461 -0.723 18115
3129 1 8 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.837 -0.531 18115
3130 1 8 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.397 -0.442 18115
3131 1 8 . 1 1 31 31 ASP H H 566 7.835 7.835 7.820 0.015 18115
3132 1 8 . 1 1 32 32 LYS N N 567 121.278 121.278 121.345 -0.067 18115
3133 1 8 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.869 -0.276 18115
3134 1 8 . 1 1 32 32 LYS C C 567 177.700 177.700 178.784 -1.084 18115
3135 1 8 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.832 0.721 18115
3136 1 8 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.407 0.189 18115
3137 1 8 . 1 1 32 32 LYS H H 567 8.379 8.379 8.061 0.318 18115
3138 1 8 . 1 1 33 33 LYS N N 568 117.531 117.531 118.299 -0.768 18115
3139 1 8 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.956 -0.117 18115
3140 1 8 . 1 1 33 33 LYS C C 568 177.391 177.391 179.019 -1.628 18115
3141 1 8 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.772 -0.365 18115
3142 1 8 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.485 -0.004 18115
3143 1 8 . 1 1 33 33 LYS H H 568 7.846 7.846 8.429 -0.583 18115
3144 1 8 . 1 1 34 34 LYS N N 569 118.376 118.376 119.604 -1.228 18115
3145 1 8 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.054 -0.055 18115
3146 1 8 . 1 1 34 34 LYS C C 569 180.064 180.064 178.896 1.168 18115
3147 1 8 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.285 0.668 18115
3148 1 8 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.215 0.639 18115
3149 1 8 . 1 1 34 34 LYS H H 569 7.647 7.647 8.086 -0.439 18115
3150 1 8 . 1 1 35 35 VAL N N 570 118.353 118.353 120.988 -2.635 18115
3151 1 8 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.754 -0.280 18115
3152 1 8 . 1 1 35 35 VAL C C 570 178.019 178.019 177.554 0.465 18115
3153 1 8 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.923 1.029 18115
3154 1 8 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.103 0.430 18115
3155 1 8 . 1 1 35 35 VAL H H 570 7.638 7.638 7.815 -0.177 18115
3156 1 8 . 1 1 36 36 LEU N N 571 120.671 120.671 121.133 -0.462 18115
3157 1 8 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.843 -0.053 18115
3158 1 8 . 1 1 36 36 LEU C C 571 180.444 180.444 178.963 1.481 18115
3159 1 8 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.716 0.197 18115
3160 1 8 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.344 -0.136 18115
3161 1 8 . 1 1 36 36 LEU H H 571 8.693 8.693 8.398 0.295 18115
3162 1 8 . 1 1 37 37 ASP N N 572 120.071 120.071 119.054 1.017 18115
3163 1 8 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.306 0.013 18115
3164 1 8 . 1 1 37 37 ASP C C 572 179.345 179.345 178.527 0.818 18115
3165 1 8 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.775 -0.492 18115
3166 1 8 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.896 -1.220 18115
3167 1 8 . 1 1 37 37 ASP H H 572 9.265 9.265 8.169 1.096 18115
3168 1 8 . 1 1 38 38 LYS N N 573 121.858 121.858 120.412 1.446 18115
3169 1 8 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.107 0.153 18115
3170 1 8 . 1 1 38 38 LYS C C 573 178.856 178.856 178.573 0.283 18115
3171 1 8 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.755 -1.694 18115
3172 1 8 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.990 -1.004 18115
3173 1 8 . 1 1 38 38 LYS H H 573 7.674 7.674 8.222 -0.548 18115
3174 1 8 . 1 1 39 39 CYS N N 574 117.635 117.635 119.575 -1.940 18115
3175 1 8 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.111 -0.248 18115
3176 1 8 . 1 1 39 39 CYS C C 574 176.479 176.479 176.725 -0.246 18115
3177 1 8 . 1 1 39 39 CYS CA C 574 65.570 65.570 62.336 3.234 18115
3178 1 8 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.539 0.141 18115
3179 1 8 . 1 1 39 39 CYS H H 574 8.818 8.818 8.590 0.228 18115
3180 1 8 . 1 1 40 40 GLN N N 575 118.089 118.089 119.087 -0.998 18115
3181 1 8 . 1 1 40 40 GLN HA H 575 3.959 3.959 3.984 -0.025 18115
3182 1 8 . 1 1 40 40 GLN C C 575 178.023 178.023 178.674 -0.651 18115
3183 1 8 . 1 1 40 40 GLN CA C 575 58.669 58.669 59.059 -0.390 18115
3184 1 8 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.072 0.018 18115
3185 1 8 . 1 1 40 40 GLN H H 575 8.203 8.203 8.408 -0.205 18115
3186 1 8 . 1 1 41 41 GLU N N 576 121.535 121.535 120.352 1.183 18115
3187 1 8 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.061 -0.069 18115
3188 1 8 . 1 1 41 41 GLU C C 576 179.586 179.586 179.087 0.499 18115
3189 1 8 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.662 0.227 18115
3190 1 8 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.611 0.402 18115
3191 1 8 . 1 1 41 41 GLU H H 576 8.074 8.074 7.774 0.300 18115
3192 1 8 . 1 1 42 42 VAL N N 577 120.038 120.038 120.192 -0.154 18115
3193 1 8 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.816 -0.105 18115
3194 1 8 . 1 1 42 42 VAL C C 577 177.102 177.102 177.941 -0.839 18115
3195 1 8 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.806 1.314 18115
3196 1 8 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.912 -0.380 18115
3197 1 8 . 1 1 42 42 VAL H H 577 8.144 8.144 7.933 0.211 18115
3198 1 8 . 1 1 43 43 ILE N N 578 122.306 122.306 120.783 1.523 18115
3199 1 8 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.740 -0.043 18115
3200 1 8 . 1 1 43 43 ILE C C 578 178.491 178.491 177.999 0.492 18115
3201 1 8 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.013 -0.395 18115
3202 1 8 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.692 -0.005 18115
3203 1 8 . 1 1 43 43 ILE H H 578 8.504 8.504 8.643 -0.139 18115
3204 1 8 . 1 1 44 44 SER N N 579 115.928 115.928 115.539 0.389 18115
3205 1 8 . 1 1 44 44 SER HA H 579 4.265 4.265 4.310 -0.045 18115
3206 1 8 . 1 1 44 44 SER C C 579 177.129 177.129 176.617 0.512 18115
3207 1 8 . 1 1 44 44 SER CA C 579 62.208 62.208 61.420 0.788 18115
3208 1 8 . 1 1 44 44 SER CB C 579 62.906 62.906 62.791 0.115 18115
3209 1 8 . 1 1 44 44 SER H H 579 8.562 8.562 8.519 0.043 18115
3210 1 8 . 1 1 45 45 TRP N N 580 124.917 124.917 124.810 0.107 18115
3211 1 8 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.430 -0.389 18115
3212 1 8 . 1 1 45 45 TRP C C 580 179.278 179.278 177.766 1.512 18115
3213 1 8 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.400 1.105 18115
3214 1 8 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.608 -1.090 18115
3215 1 8 . 1 1 45 45 TRP H H 580 8.406 8.406 8.051 0.355 18115
3216 1 8 . 1 1 46 46 LEU N N 581 122.211 122.211 119.648 2.563 18115
3217 1 8 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.790 -0.134 18115
3218 1 8 . 1 1 46 46 LEU C C 581 179.119 179.119 178.396 0.723 18115
3219 1 8 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.116 0.318 18115
3220 1 8 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.833 0.707 18115
3221 1 8 . 1 1 46 46 LEU H H 581 9.012 9.012 8.530 0.482 18115
3222 1 8 . 1 1 47 47 ASP N N 582 117.724 117.724 117.087 0.637 18115
3223 1 8 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.344 -0.066 18115
3224 1 8 . 1 1 47 47 ASP C C 582 177.154 177.154 178.084 -0.930 18115
3225 1 8 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.903 -0.109 18115
3226 1 8 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.214 -0.025 18115
3227 1 8 . 1 1 47 47 ASP H H 582 7.665 7.665 7.788 -0.123 18115
3228 1 8 . 1 1 48 48 ALA N N 583 118.604 118.604 120.261 -1.657 18115
3229 1 8 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.184 0.104 18115
3230 1 8 . 1 1 48 48 ALA C C 583 177.776 177.776 177.937 -0.161 18115
3231 1 8 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.758 -1.405 18115
3232 1 8 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.401 0.492 18115
3233 1 8 . 1 1 48 48 ALA H H 583 7.129 7.129 7.321 -0.192 18115
3234 1 8 . 1 1 49 49 ASN N N 584 118.883 118.883 117.472 1.411 18115
3235 1 8 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.809 -0.138 18115
3236 1 8 . 1 1 49 49 ASN C C 584 174.761 174.761 175.019 -0.258 18115
3237 1 8 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.451 0.397 18115
3238 1 8 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.529 -0.561 18115
3239 1 8 . 1 1 49 49 ASN H H 584 7.284 7.284 7.822 -0.538 18115
3240 1 8 . 1 1 50 50 THR N N 585 112.258 112.258 113.144 -0.886 18115
3241 1 8 . 1 1 50 50 THR HA H 585 3.967 3.967 4.266 -0.299 18115
3242 1 8 . 1 1 50 50 THR C C 585 175.787 175.787 175.489 0.298 18115
3243 1 8 . 1 1 50 50 THR CA C 585 65.175 65.175 63.640 1.535 18115
3244 1 8 . 1 1 50 50 THR CB C 585 69.336 69.336 68.918 0.418 18115
3245 1 8 . 1 1 50 50 THR H H 585 7.615 7.615 7.809 -0.194 18115
3246 1 8 . 1 1 51 51 LEU N N 586 120.550 120.550 119.998 0.552 18115
3247 1 8 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.520 0.023 18115
3248 1 8 . 1 1 51 51 LEU C C 586 176.635 176.635 176.936 -0.301 18115
3249 1 8 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.995 -0.034 18115
3250 1 8 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.303 0.769 18115
3251 1 8 . 1 1 51 51 LEU H H 586 8.254 8.254 7.727 0.527 18115
3252 1 8 . 1 1 52 52 ALA N N 587 123.048 123.048 123.136 -0.088 18115
3253 1 8 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.139 -0.063 18115
3254 1 8 . 1 1 52 52 ALA C C 587 176.356 176.356 176.946 -0.590 18115
3255 1 8 . 1 1 52 52 ALA CA C 587 52.596 52.596 51.931 0.665 18115
3256 1 8 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.464 -0.033 18115
3257 1 8 . 1 1 52 52 ALA H H 587 7.124 7.124 7.147 -0.023 18115
3258 1 8 . 1 1 53 53 GLU N N 588 118.471 118.471 119.911 -1.440 18115
3259 1 8 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.481 -0.121 18115
3260 1 8 . 1 1 53 53 GLU C C 588 177.945 177.945 178.345 -0.400 18115
3261 1 8 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.683 0.054 18115
3262 1 8 . 1 1 53 53 GLU CB C 588 31.199 31.199 31.015 0.184 18115
3263 1 8 . 1 1 53 53 GLU H H 588 8.429 8.429 8.310 0.119 18115
3264 1 8 . 1 1 54 54 LYS N N 589 121.635 121.635 121.151 0.484 18115
3265 1 8 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.210 -0.060 18115
3266 1 8 . 1 1 54 54 LYS C C 589 178.445 178.445 178.259 0.186 18115
3267 1 8 . 1 1 54 54 LYS CA C 589 60.707 60.707 59.973 0.734 18115
3268 1 8 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.160 0.630 18115
3269 1 8 . 1 1 54 54 LYS H H 589 8.763 8.763 8.813 -0.050 18115
3270 1 8 . 1 1 55 55 ASP N N 590 116.537 116.537 119.201 -2.664 18115
3271 1 8 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.273 0.047 18115
3272 1 8 . 1 1 55 55 ASP C C 590 178.649 178.649 178.420 0.229 18115
3273 1 8 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.730 -0.718 18115
3274 1 8 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.897 0.192 18115
3275 1 8 . 1 1 55 55 ASP H H 590 8.814 8.814 8.669 0.145 18115
3276 1 8 . 1 1 56 56 GLU N N 591 119.611 119.611 119.882 -0.271 18115
3277 1 8 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.237 -0.172 18115
3278 1 8 . 1 1 56 56 GLU C C 591 179.582 179.582 178.884 0.698 18115
3279 1 8 . 1 1 56 56 GLU CA C 591 59.513 59.513 58.980 0.533 18115
3280 1 8 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.345 0.468 18115
3281 1 8 . 1 1 56 56 GLU H H 591 7.785 7.785 7.738 0.047 18115
3282 1 8 . 1 1 57 57 PHE N N 592 117.509 117.509 118.898 -1.389 18115
3283 1 8 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.482 -0.257 18115
3284 1 8 . 1 1 57 57 PHE C C 592 178.436 178.436 178.216 0.220 18115
3285 1 8 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.658 -0.047 18115
3286 1 8 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.562 0.272 18115
3287 1 8 . 1 1 57 57 PHE H H 592 7.443 7.443 7.454 -0.011 18115
3288 1 8 . 1 1 58 58 GLU N N 593 118.501 118.501 119.103 -0.602 18115
3289 1 8 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.937 0.197 18115
3290 1 8 . 1 1 58 58 GLU C C 593 178.855 178.855 179.171 -0.316 18115
3291 1 8 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.312 -0.328 18115
3292 1 8 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.906 0.161 18115
3293 1 8 . 1 1 58 58 GLU H H 593 7.952 7.952 8.259 -0.307 18115
3294 1 8 . 1 1 59 59 HIS N N 594 118.563 118.563 118.787 -0.224 18115
3295 1 8 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.231 -0.018 18115
3296 1 8 . 1 1 59 59 HIS C C 594 177.856 177.856 177.644 0.212 18115
3297 1 8 . 1 1 59 59 HIS CA C 594 59.268 59.268 58.785 0.483 18115
3298 1 8 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.747 -0.710 18115
3299 1 8 . 1 1 59 59 HIS H H 594 8.126 8.126 8.385 -0.259 18115
3300 1 8 . 1 1 60 60 LYS N N 595 119.034 119.034 120.247 -1.213 18115
3301 1 8 . 1 1 60 60 LYS HA H 595 3.694 3.694 4.170 -0.476 18115
3302 1 8 . 1 1 60 60 LYS C C 595 178.057 178.057 178.604 -0.547 18115
3303 1 8 . 1 1 60 60 LYS CA C 595 57.147 57.147 57.746 -0.599 18115
3304 1 8 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.824 -1.047 18115
3305 1 8 . 1 1 60 60 LYS H H 595 7.733 7.733 7.760 -0.027 18115
3306 1 8 . 1 1 61 61 ARG N N 596 120.071 120.071 119.211 0.860 18115
3307 1 8 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.710 -0.062 18115
3308 1 8 . 1 1 61 61 ARG C C 596 177.921 177.921 178.302 -0.381 18115
3309 1 8 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.678 0.500 18115
3310 1 8 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.996 -0.191 18115
3311 1 8 . 1 1 61 61 ARG H H 596 8.167 8.167 8.457 -0.290 18115
3312 1 8 . 1 1 62 62 LYS N N 597 118.731 118.731 118.427 0.304 18115
3313 1 8 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.021 -0.135 18115
3314 1 8 . 1 1 62 62 LYS C C 597 178.963 178.963 179.019 -0.056 18115
3315 1 8 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.739 0.498 18115
3316 1 8 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.751 0.148 18115
3317 1 8 . 1 1 62 62 LYS H H 597 7.948 7.948 7.573 0.375 18115
3318 1 8 . 1 1 63 63 GLU N N 598 118.881 118.881 120.374 -1.493 18115
3319 1 8 . 1 1 63 63 GLU HA H 598 3.876 3.876 4.130 -0.254 18115
3320 1 8 . 1 1 63 63 GLU C C 598 179.408 179.408 179.184 0.224 18115
3321 1 8 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.114 0.271 18115
3322 1 8 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.538 0.865 18115
3323 1 8 . 1 1 63 63 GLU H H 598 7.794 7.794 7.628 0.166 18115
3324 1 8 . 1 1 64 64 LEU N N 599 119.904 119.904 119.663 0.241 18115
3325 1 8 . 1 1 64 64 LEU HA H 599 4.070 4.070 4.044 0.026 18115
3326 1 8 . 1 1 64 64 LEU C C 599 178.814 178.814 179.018 -0.204 18115
3327 1 8 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.942 0.054 18115
3328 1 8 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.419 0.601 18115
3329 1 8 . 1 1 64 64 LEU H H 599 7.800 7.800 8.551 -0.751 18115
3330 1 8 . 1 1 65 65 GLU N N 600 122.446 122.446 120.575 1.871 18115
3331 1 8 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.118 0.048 18115
3332 1 8 . 1 1 65 65 GLU C C 600 178.550 178.550 178.902 -0.352 18115
3333 1 8 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.592 0.139 18115
3334 1 8 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.523 0.747 18115
3335 1 8 . 1 1 65 65 GLU H H 600 8.948 8.948 7.876 1.072 18115
3336 1 8 . 1 1 66 66 GLN N N 601 116.068 116.068 117.949 -1.881 18115
3337 1 8 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.074 -0.123 18115
3338 1 8 . 1 1 66 66 GLN C C 601 178.277 178.277 178.493 -0.216 18115
3339 1 8 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.343 0.183 18115
3340 1 8 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.709 -0.087 18115
3341 1 8 . 1 1 66 66 GLN H H 601 8.109 8.109 7.691 0.418 18115
3342 1 8 . 1 1 67 67 VAL N N 602 116.121 116.121 118.629 -2.508 18115
3343 1 8 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.946 -0.141 18115
3344 1 8 . 1 1 67 67 VAL C C 602 177.423 177.423 177.274 0.149 18115
3345 1 8 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.653 0.452 18115
3346 1 8 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.118 1.059 18115
3347 1 8 . 1 1 67 67 VAL H H 602 7.171 7.171 7.568 -0.397 18115
3348 1 8 . 1 1 68 68 CYS N N 603 114.504 114.504 115.718 -1.214 18115
3349 1 8 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.332 -0.334 18115
3350 1 8 . 1 1 68 68 CYS C C 603 176.503 176.503 176.549 -0.046 18115
3351 1 8 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.361 2.964 18115
3352 1 8 . 1 1 68 68 CYS CB C 603 28.665 28.665 27.095 1.570 18115
3353 1 8 . 1 1 68 68 CYS H H 603 8.138 8.138 7.978 0.160 18115
3354 1 8 . 1 1 69 69 ASN N N 604 119.915 119.915 121.873 -1.958 18115
3355 1 8 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.531 0.043 18115
3356 1 8 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.685 0.130 18115
3357 1 8 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.488 -0.673 18115
3358 1 8 . 1 1 69 69 ASN H H 604 9.045 9.045 8.718 0.327 18115
3359 1 8 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.298 -0.027 18115
3360 1 8 . 1 1 70 70 PRO C C 605 177.471 177.471 177.253 0.218 18115
3361 1 8 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.411 0.259 18115
3362 1 8 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.289 0.299 18115
3363 1 8 . 1 1 71 71 ILE N N 606 115.752 115.752 114.177 1.575 18115
3364 1 8 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.011 -0.193 18115
3365 1 8 . 1 1 71 71 ILE C C 606 177.032 177.032 178.039 -1.007 18115
3366 1 8 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.774 -0.456 18115
3367 1 8 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.139 1.485 18115
3368 1 8 . 1 1 71 71 ILE H H 606 6.851 6.851 7.345 -0.494 18115
3369 1 8 . 1 1 72 72 ILE N N 607 116.042 116.042 122.751 -6.709 18115
3370 1 8 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.769 0.237 18115
3371 1 8 . 1 1 72 72 ILE C C 607 177.236 177.236 178.275 -1.039 18115
3372 1 8 . 1 1 72 72 ILE CA C 607 61.726 61.726 64.169 -2.443 18115
3373 1 8 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.437 0.865 18115
3374 1 8 . 1 1 72 72 ILE H H 607 8.032 8.032 8.825 -0.793 18115
3375 1 8 . 1 1 73 73 SER N N 608 115.855 115.855 115.886 -0.031 18115
3376 1 8 . 1 1 73 73 SER HA H 608 4.277 4.277 4.304 -0.027 18115
3377 1 8 . 1 1 73 73 SER C C 608 175.111 175.111 175.330 -0.219 18115
3378 1 8 . 1 1 73 73 SER CA C 608 60.134 60.134 60.925 -0.791 18115
3379 1 8 . 1 1 73 73 SER CB C 608 63.480 63.480 63.134 0.346 18115
3380 1 8 . 1 1 73 73 SER H H 608 8.001 8.001 8.223 -0.222 18115
3381 1 8 . 1 1 74 74 GLY N N 609 109.991 109.991 107.274 2.717 18115
3382 1 8 . 1 1 74 74 GLY C C 609 173.508 173.508 173.531 -0.023 18115
3383 1 8 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.859 0.456 18115
3384 1 8 . 1 1 74 74 GLY H H 609 7.924 7.924 7.838 0.086 18115
3385 1 9 . 1 1 3 3 ALA N N 538 127.340 127.340 124.596 2.744 18115
3386 1 9 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.991 0.116 18115
3387 1 9 . 1 1 3 3 ALA C C 538 179.658 179.658 178.537 1.121 18115
3388 1 9 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.418 0.373 18115
3389 1 9 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.707 -0.100 18115
3390 1 9 . 1 1 3 3 ALA H H 538 8.781 8.781 7.992 0.789 18115
3391 1 9 . 1 1 4 4 LYS N N 539 120.439 120.439 118.523 1.916 18115
3392 1 9 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.485 -0.220 18115
3393 1 9 . 1 1 4 4 LYS C C 539 177.428 177.428 177.961 -0.533 18115
3394 1 9 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.612 1.129 18115
3395 1 9 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.567 0.675 18115
3396 1 9 . 1 1 4 4 LYS H H 539 8.006 8.006 7.825 0.181 18115
3397 1 9 . 1 1 5 5 ASN N N 540 117.109 117.109 116.564 0.545 18115
3398 1 9 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.441 -0.060 18115
3399 1 9 . 1 1 5 5 ASN C C 540 177.598 177.598 177.305 0.293 18115
3400 1 9 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.244 -0.486 18115
3401 1 9 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.993 0.293 18115
3402 1 9 . 1 1 5 5 ASN H H 540 7.789 7.789 8.156 -0.367 18115
3403 1 9 . 1 1 6 6 ALA N N 541 122.489 122.489 123.105 -0.616 18115
3404 1 9 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.128 -0.024 18115
3405 1 9 . 1 1 6 6 ALA C C 541 180.393 180.393 179.928 0.465 18115
3406 1 9 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.086 -0.050 18115
3407 1 9 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.418 -0.263 18115
3408 1 9 . 1 1 6 6 ALA H H 541 8.209 8.209 8.354 -0.145 18115
3409 1 9 . 1 1 7 7 LEU N N 542 120.603 120.603 119.640 0.963 18115
3410 1 9 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.072 0.121 18115
3411 1 9 . 1 1 7 7 LEU C C 542 177.015 177.015 179.222 -2.207 18115
3412 1 9 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.230 -0.275 18115
3413 1 9 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.845 0.378 18115
3414 1 9 . 1 1 7 7 LEU H H 542 7.775 7.775 8.438 -0.663 18115
3415 1 9 . 1 1 8 8 GLU N N 543 119.550 119.550 119.729 -0.179 18115
3416 1 9 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.136 -0.581 18115
3417 1 9 . 1 1 8 8 GLU C C 543 177.949 177.949 179.170 -1.221 18115
3418 1 9 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.097 0.214 18115
3419 1 9 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.740 0.685 18115
3420 1 9 . 1 1 8 8 GLU H H 543 8.418 8.418 8.608 -0.190 18115
3421 1 9 . 1 1 9 9 SER N N 544 112.181 112.181 115.898 -3.717 18115
3422 1 9 . 1 1 9 9 SER HA H 544 4.192 4.192 4.243 -0.051 18115
3423 1 9 . 1 1 9 9 SER C C 544 176.285 176.285 176.780 -0.495 18115
3424 1 9 . 1 1 9 9 SER CA C 544 61.890 61.890 61.196 0.694 18115
3425 1 9 . 1 1 9 9 SER CB C 544 63.000 63.000 62.951 0.049 18115
3426 1 9 . 1 1 9 9 SER H H 544 8.313 8.313 8.067 0.246 18115
3427 1 9 . 1 1 10 10 TYR N N 545 122.309 122.309 123.311 -1.002 18115
3428 1 9 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.186 0.203 18115
3429 1 9 . 1 1 10 10 TYR C C 545 177.193 177.193 177.185 0.008 18115
3430 1 9 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.274 0.068 18115
3431 1 9 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.269 0.618 18115
3432 1 9 . 1 1 10 10 TYR H H 545 7.811 7.811 8.398 -0.587 18115
3433 1 9 . 1 1 11 11 ALA N N 546 120.404 120.404 122.218 -1.814 18115
3434 1 9 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.187 -0.398 18115
3435 1 9 . 1 1 11 11 ALA C C 546 179.480 179.480 180.104 -0.624 18115
3436 1 9 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.884 0.804 18115
3437 1 9 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.184 -0.558 18115
3438 1 9 . 1 1 11 11 ALA H H 546 8.456 8.456 8.746 -0.290 18115
3439 1 9 . 1 1 12 12 PHE N N 547 116.158 116.158 119.133 -2.975 18115
3440 1 9 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.095 0.050 18115
3441 1 9 . 1 1 12 12 PHE C C 547 179.133 179.133 177.809 1.324 18115
3442 1 9 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.975 -1.562 18115
3443 1 9 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.787 -0.507 18115
3444 1 9 . 1 1 12 12 PHE H H 547 8.430 8.430 8.982 -0.552 18115
3445 1 9 . 1 1 13 13 ASN N N 548 120.231 120.231 118.330 1.901 18115
3446 1 9 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.470 -0.051 18115
3447 1 9 . 1 1 13 13 ASN C C 548 178.326 178.326 178.006 0.320 18115
3448 1 9 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.338 -0.386 18115
3449 1 9 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.139 -0.185 18115
3450 1 9 . 1 1 13 13 ASN H H 548 8.654 8.654 8.591 0.063 18115
3451 1 9 . 1 1 14 14 MET N N 549 121.990 121.990 118.565 3.425 18115
3452 1 9 . 1 1 14 14 MET HA H 549 4.278 4.278 4.234 0.044 18115
3453 1 9 . 1 1 14 14 MET C C 549 176.929 176.929 178.245 -1.316 18115
3454 1 9 . 1 1 14 14 MET CA C 549 57.182 57.182 57.686 -0.504 18115
3455 1 9 . 1 1 14 14 MET CB C 549 32.998 32.998 31.852 1.146 18115
3456 1 9 . 1 1 14 14 MET H H 549 8.331 8.331 8.331 -0.000 18115
3457 1 9 . 1 1 15 15 LYS N N 550 119.946 119.946 121.275 -1.329 18115
3458 1 9 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.899 -0.184 18115
3459 1 9 . 1 1 15 15 LYS C C 550 177.879 177.879 179.040 -1.161 18115
3460 1 9 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.038 -0.067 18115
3461 1 9 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.261 0.549 18115
3462 1 9 . 1 1 15 15 LYS H H 550 7.731 7.731 8.458 -0.727 18115
3463 1 9 . 1 1 16 16 SER N N 551 111.477 111.477 115.262 -3.785 18115
3464 1 9 . 1 1 16 16 SER HA H 551 4.093 4.093 4.206 -0.113 18115
3465 1 9 . 1 1 16 16 SER C C 551 177.031 177.031 176.522 0.509 18115
3466 1 9 . 1 1 16 16 SER CA C 551 61.173 61.173 61.244 -0.071 18115
3467 1 9 . 1 1 16 16 SER CB C 551 63.007 63.007 62.824 0.183 18115
3468 1 9 . 1 1 16 16 SER H H 551 7.766 7.766 8.472 -0.706 18115
3469 1 9 . 1 1 17 17 ALA N N 552 123.689 123.689 123.076 0.613 18115
3470 1 9 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.156 -0.073 18115
3471 1 9 . 1 1 17 17 ALA C C 552 180.384 180.384 179.762 0.622 18115
3472 1 9 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.774 0.514 18115
3473 1 9 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.626 -0.461 18115
3474 1 9 . 1 1 17 17 ALA H H 552 8.089 8.089 7.769 0.320 18115
3475 1 9 . 1 1 18 18 VAL N N 553 109.294 109.294 113.372 -4.078 18115
3476 1 9 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.854 0.162 18115
3477 1 9 . 1 1 18 18 VAL C C 553 176.352 176.352 177.436 -1.084 18115
3478 1 9 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.145 -1.387 18115
3479 1 9 . 1 1 18 18 VAL CB C 553 31.652 31.652 32.006 -0.354 18115
3480 1 9 . 1 1 18 18 VAL H H 553 7.560 7.560 7.557 0.003 18115
3481 1 9 . 1 1 19 19 GLU N N 554 118.414 118.414 117.668 0.746 18115
3482 1 9 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.194 0.021 18115
3483 1 9 . 1 1 19 19 GLU C C 554 176.794 176.794 176.197 0.597 18115
3484 1 9 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.489 0.255 18115
3485 1 9 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.416 0.743 18115
3486 1 9 . 1 1 19 19 GLU H H 554 7.389 7.389 7.665 -0.276 18115
3487 1 9 . 1 1 20 20 ASP N N 555 120.735 120.735 120.267 0.468 18115
3488 1 9 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.587 -0.220 18115
3489 1 9 . 1 1 20 20 ASP C C 555 178.171 178.171 177.035 1.136 18115
3490 1 9 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.261 1.606 18115
3491 1 9 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.421 0.453 18115
3492 1 9 . 1 1 20 20 ASP H H 555 7.224 7.224 7.326 -0.102 18115
3493 1 9 . 1 1 21 21 GLU N N 556 126.927 126.927 125.460 1.467 18115
3494 1 9 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.155 -0.174 18115
3495 1 9 . 1 1 21 21 GLU C C 556 178.691 178.691 177.568 1.123 18115
3496 1 9 . 1 1 21 21 GLU CA C 556 59.144 59.144 58.393 0.751 18115
3497 1 9 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.334 0.216 18115
3498 1 9 . 1 1 21 21 GLU H H 556 9.007 9.007 8.782 0.225 18115
3499 1 9 . 1 1 22 22 GLY N N 557 108.255 108.255 105.814 2.441 18115
3500 1 9 . 1 1 22 22 GLY C C 557 175.344 175.344 175.059 0.285 18115
3501 1 9 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.491 0.917 18115
3502 1 9 . 1 1 22 22 GLY H H 557 9.031 9.031 8.335 0.696 18115
3503 1 9 . 1 1 23 23 LEU N N 558 119.463 119.463 120.977 -1.514 18115
3504 1 9 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.440 -0.094 18115
3505 1 9 . 1 1 23 23 LEU C C 558 177.893 177.893 176.510 1.383 18115
3506 1 9 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.507 0.413 18115
3507 1 9 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.854 -0.468 18115
3508 1 9 . 1 1 23 23 LEU H H 558 7.606 7.606 7.666 -0.060 18115
3509 1 9 . 1 1 24 24 LYS N N 559 120.994 120.994 119.679 1.315 18115
3510 1 9 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.085 -0.013 18115
3511 1 9 . 1 1 24 24 LYS C C 559 177.830 177.830 177.028 0.802 18115
3512 1 9 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.718 0.759 18115
3513 1 9 . 1 1 24 24 LYS CB C 559 32.359 32.359 32.045 0.314 18115
3514 1 9 . 1 1 24 24 LYS H H 559 7.572 7.572 7.735 -0.163 18115
3515 1 9 . 1 1 25 25 GLY N N 560 111.895 111.895 115.069 -3.174 18115
3516 1 9 . 1 1 25 25 GLY C C 560 174.451 174.451 175.391 -0.940 18115
3517 1 9 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.432 0.154 18115
3518 1 9 . 1 1 25 25 GLY H H 560 8.770 8.770 8.615 0.155 18115
3519 1 9 . 1 1 26 26 LYS N N 561 118.925 118.925 120.462 -1.537 18115
3520 1 9 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.256 0.080 18115
3521 1 9 . 1 1 26 26 LYS C C 561 175.860 175.860 177.087 -1.227 18115
3522 1 9 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.663 -0.797 18115
3523 1 9 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.315 0.886 18115
3524 1 9 . 1 1 26 26 LYS H H 561 8.116 8.116 7.820 0.296 18115
3525 1 9 . 1 1 27 27 ILE N N 562 116.463 116.463 119.800 -3.337 18115
3526 1 9 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.358 0.140 18115
3527 1 9 . 1 1 27 27 ILE C C 562 174.838 174.838 174.229 0.609 18115
3528 1 9 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.844 -0.456 18115
3529 1 9 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.606 0.063 18115
3530 1 9 . 1 1 27 27 ILE H H 562 7.430 7.430 7.353 0.077 18115
3531 1 9 . 1 1 28 28 SER N N 563 124.501 124.501 121.903 2.598 18115
3532 1 9 . 1 1 28 28 SER HA H 563 4.404 4.404 4.546 -0.142 18115
3533 1 9 . 1 1 28 28 SER C C 563 174.870 174.870 175.416 -0.546 18115
3534 1 9 . 1 1 28 28 SER CA C 563 57.432 57.432 57.344 0.088 18115
3535 1 9 . 1 1 28 28 SER CB C 563 64.793 64.793 64.347 0.447 18115
3536 1 9 . 1 1 28 28 SER H H 563 9.375 9.375 8.563 0.812 18115
3537 1 9 . 1 1 29 29 GLU N N 564 122.048 122.048 124.844 -2.796 18115
3538 1 9 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.969 -0.069 18115
3539 1 9 . 1 1 29 29 GLU C C 564 179.396 179.396 178.381 1.015 18115
3540 1 9 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.738 -0.024 18115
3541 1 9 . 1 1 29 29 GLU CB C 564 29.218 29.218 28.997 0.221 18115
3542 1 9 . 1 1 29 29 GLU H H 564 8.970 8.970 9.104 -0.135 18115
3543 1 9 . 1 1 30 30 ALA N N 565 120.829 120.829 122.032 -1.203 18115
3544 1 9 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.096 -0.050 18115
3545 1 9 . 1 1 30 30 ALA C C 565 180.524 180.524 179.839 0.685 18115
3546 1 9 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.298 -0.260 18115
3547 1 9 . 1 1 30 30 ALA CB C 565 18.463 18.463 18.164 0.299 18115
3548 1 9 . 1 1 30 30 ALA H H 565 8.465 8.465 8.452 0.013 18115
3549 1 9 . 1 1 31 31 ASP N N 566 121.111 121.111 119.235 1.876 18115
3550 1 9 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.335 0.104 18115
3551 1 9 . 1 1 31 31 ASP C C 566 177.738 177.738 178.531 -0.793 18115
3552 1 9 . 1 1 31 31 ASP CA C 566 57.306 57.306 58.109 -0.803 18115
3553 1 9 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.446 -0.491 18115
3554 1 9 . 1 1 31 31 ASP H H 566 7.835 7.835 7.775 0.060 18115
3555 1 9 . 1 1 32 32 LYS N N 567 121.278 121.278 120.971 0.307 18115
3556 1 9 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.829 -0.236 18115
3557 1 9 . 1 1 32 32 LYS C C 567 177.700 177.700 178.638 -0.938 18115
3558 1 9 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.754 0.799 18115
3559 1 9 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.460 0.136 18115
3560 1 9 . 1 1 32 32 LYS H H 567 8.379 8.379 8.236 0.143 18115
3561 1 9 . 1 1 33 33 LYS N N 568 117.531 117.531 118.489 -0.958 18115
3562 1 9 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.955 -0.116 18115
3563 1 9 . 1 1 33 33 LYS C C 568 177.391 177.391 178.869 -1.478 18115
3564 1 9 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.793 -0.386 18115
3565 1 9 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.509 -0.028 18115
3566 1 9 . 1 1 33 33 LYS H H 568 7.846 7.846 8.415 -0.569 18115
3567 1 9 . 1 1 34 34 LYS N N 569 118.376 118.376 119.617 -1.241 18115
3568 1 9 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.032 -0.033 18115
3569 1 9 . 1 1 34 34 LYS C C 569 180.064 180.064 179.055 1.009 18115
3570 1 9 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.298 0.655 18115
3571 1 9 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.164 0.690 18115
3572 1 9 . 1 1 34 34 LYS H H 569 7.647 7.647 8.067 -0.420 18115
3573 1 9 . 1 1 35 35 VAL N N 570 118.353 118.353 120.933 -2.580 18115
3574 1 9 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.745 -0.271 18115
3575 1 9 . 1 1 35 35 VAL C C 570 178.019 178.019 177.366 0.653 18115
3576 1 9 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.954 0.998 18115
3577 1 9 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.132 0.401 18115
3578 1 9 . 1 1 35 35 VAL H H 570 7.638 7.638 7.827 -0.189 18115
3579 1 9 . 1 1 36 36 LEU N N 571 120.671 120.671 121.255 -0.584 18115
3580 1 9 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.799 -0.009 18115
3581 1 9 . 1 1 36 36 LEU C C 571 180.444 180.444 178.835 1.609 18115
3582 1 9 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.893 0.020 18115
3583 1 9 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.196 0.012 18115
3584 1 9 . 1 1 36 36 LEU H H 571 8.693 8.693 8.357 0.336 18115
3585 1 9 . 1 1 37 37 ASP N N 572 120.071 120.071 119.132 0.939 18115
3586 1 9 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.271 0.048 18115
3587 1 9 . 1 1 37 37 ASP C C 572 179.345 179.345 178.619 0.726 18115
3588 1 9 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.991 -0.708 18115
3589 1 9 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.976 -1.300 18115
3590 1 9 . 1 1 37 37 ASP H H 572 9.265 9.265 8.443 0.822 18115
3591 1 9 . 1 1 38 38 LYS N N 573 121.858 121.858 120.650 1.208 18115
3592 1 9 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.129 0.131 18115
3593 1 9 . 1 1 38 38 LYS C C 573 178.856 178.856 178.993 -0.137 18115
3594 1 9 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.480 -1.419 18115
3595 1 9 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.823 -0.837 18115
3596 1 9 . 1 1 38 38 LYS H H 573 7.674 7.674 7.887 -0.213 18115
3597 1 9 . 1 1 39 39 CYS N N 574 117.635 117.635 118.375 -0.740 18115
3598 1 9 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.066 -0.203 18115
3599 1 9 . 1 1 39 39 CYS C C 574 176.479 176.479 177.049 -0.570 18115
3600 1 9 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.304 1.266 18115
3601 1 9 . 1 1 39 39 CYS CB C 574 26.680 26.680 27.003 -0.323 18115
3602 1 9 . 1 1 39 39 CYS H H 574 8.818 8.818 8.845 -0.027 18115
3603 1 9 . 1 1 40 40 GLN N N 575 118.089 118.089 118.933 -0.844 18115
3604 1 9 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.038 -0.079 18115
3605 1 9 . 1 1 40 40 GLN C C 575 178.023 178.023 178.448 -0.425 18115
3606 1 9 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.770 -0.101 18115
3607 1 9 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.065 0.025 18115
3608 1 9 . 1 1 40 40 GLN H H 575 8.203 8.203 8.214 -0.011 18115
3609 1 9 . 1 1 41 41 GLU N N 576 121.535 121.535 121.470 0.065 18115
3610 1 9 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.084 -0.092 18115
3611 1 9 . 1 1 41 41 GLU C C 576 179.586 179.586 179.097 0.489 18115
3612 1 9 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.814 0.075 18115
3613 1 9 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.596 0.416 18115
3614 1 9 . 1 1 41 41 GLU H H 576 8.074 8.074 7.868 0.206 18115
3615 1 9 . 1 1 42 42 VAL N N 577 120.038 120.038 120.277 -0.239 18115
3616 1 9 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.802 -0.091 18115
3617 1 9 . 1 1 42 42 VAL C C 577 177.102 177.102 178.033 -0.931 18115
3618 1 9 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.691 1.429 18115
3619 1 9 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.918 -0.386 18115
3620 1 9 . 1 1 42 42 VAL H H 577 8.144 8.144 7.930 0.214 18115
3621 1 9 . 1 1 43 43 ILE N N 578 122.306 122.306 120.175 2.131 18115
3622 1 9 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.728 -0.031 18115
3623 1 9 . 1 1 43 43 ILE C C 578 178.491 178.491 177.941 0.550 18115
3624 1 9 . 1 1 43 43 ILE CA C 578 65.618 65.618 65.943 -0.325 18115
3625 1 9 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.667 0.020 18115
3626 1 9 . 1 1 43 43 ILE H H 578 8.504 8.504 8.553 -0.049 18115
3627 1 9 . 1 1 44 44 SER N N 579 115.928 115.928 115.877 0.051 18115
3628 1 9 . 1 1 44 44 SER HA H 579 4.265 4.265 4.265 0.000 18115
3629 1 9 . 1 1 44 44 SER C C 579 177.129 177.129 176.720 0.409 18115
3630 1 9 . 1 1 44 44 SER CA C 579 62.208 62.208 61.545 0.663 18115
3631 1 9 . 1 1 44 44 SER CB C 579 62.906 62.906 62.936 -0.030 18115
3632 1 9 . 1 1 44 44 SER H H 579 8.562 8.562 8.586 -0.024 18115
3633 1 9 . 1 1 45 45 TRP N N 580 124.917 124.917 125.384 -0.467 18115
3634 1 9 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.402 -0.361 18115
3635 1 9 . 1 1 45 45 TRP C C 580 179.278 179.278 177.835 1.443 18115
3636 1 9 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.243 1.262 18115
3637 1 9 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.619 -1.101 18115
3638 1 9 . 1 1 45 45 TRP H H 580 8.406 8.406 8.007 0.399 18115
3639 1 9 . 1 1 46 46 LEU N N 581 122.211 122.211 120.122 2.089 18115
3640 1 9 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.922 -0.266 18115
3641 1 9 . 1 1 46 46 LEU C C 581 179.119 179.119 179.565 -0.446 18115
3642 1 9 . 1 1 46 46 LEU CA C 581 58.434 58.434 57.975 0.459 18115
3643 1 9 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.843 0.696 18115
3644 1 9 . 1 1 46 46 LEU H H 581 9.012 9.012 8.563 0.449 18115
3645 1 9 . 1 1 47 47 ASP N N 582 117.724 117.724 118.499 -0.775 18115
3646 1 9 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.312 -0.034 18115
3647 1 9 . 1 1 47 47 ASP C C 582 177.154 177.154 177.465 -0.311 18115
3648 1 9 . 1 1 47 47 ASP CA C 582 56.794 56.794 57.009 -0.215 18115
3649 1 9 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.034 0.155 18115
3650 1 9 . 1 1 47 47 ASP H H 582 7.665 7.665 7.894 -0.229 18115
3651 1 9 . 1 1 48 48 ALA N N 583 118.604 118.604 119.125 -0.521 18115
3652 1 9 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.117 0.171 18115
3653 1 9 . 1 1 48 48 ALA C C 583 177.776 177.776 177.882 -0.106 18115
3654 1 9 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.821 -1.468 18115
3655 1 9 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.219 0.674 18115
3656 1 9 . 1 1 48 48 ALA H H 583 7.129 7.129 7.344 -0.215 18115
3657 1 9 . 1 1 49 49 ASN N N 584 118.883 118.883 116.728 2.155 18115
3658 1 9 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.768 -0.097 18115
3659 1 9 . 1 1 49 49 ASN C C 584 174.761 174.761 174.707 0.054 18115
3660 1 9 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.508 0.340 18115
3661 1 9 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.592 -0.624 18115
3662 1 9 . 1 1 49 49 ASN H H 584 7.284 7.284 7.610 -0.326 18115
3663 1 9 . 1 1 50 50 THR N N 585 112.258 112.258 111.831 0.427 18115
3664 1 9 . 1 1 50 50 THR HA H 585 3.967 3.967 4.325 -0.358 18115
3665 1 9 . 1 1 50 50 THR C C 585 175.787 175.787 175.442 0.345 18115
3666 1 9 . 1 1 50 50 THR CA C 585 65.175 65.175 63.944 1.230 18115
3667 1 9 . 1 1 50 50 THR CB C 585 69.336 69.336 69.315 0.021 18115
3668 1 9 . 1 1 50 50 THR H H 585 7.615 7.615 7.962 -0.347 18115
3669 1 9 . 1 1 51 51 LEU N N 586 120.550 120.550 119.350 1.200 18115
3670 1 9 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.573 -0.030 18115
3671 1 9 . 1 1 51 51 LEU C C 586 176.635 176.635 176.801 -0.166 18115
3672 1 9 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.884 0.077 18115
3673 1 9 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.934 0.139 18115
3674 1 9 . 1 1 51 51 LEU H H 586 8.254 8.254 7.815 0.439 18115
3675 1 9 . 1 1 52 52 ALA N N 587 123.048 123.048 122.362 0.686 18115
3676 1 9 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.069 0.007 18115
3677 1 9 . 1 1 52 52 ALA C C 587 176.356 176.356 177.429 -1.073 18115
3678 1 9 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.250 0.346 18115
3679 1 9 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.172 0.258 18115
3680 1 9 . 1 1 52 52 ALA H H 587 7.124 7.124 7.023 0.101 18115
3681 1 9 . 1 1 53 53 GLU N N 588 118.471 118.471 119.900 -1.429 18115
3682 1 9 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.453 -0.093 18115
3683 1 9 . 1 1 53 53 GLU C C 588 177.945 177.945 178.123 -0.178 18115
3684 1 9 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.821 -0.084 18115
3685 1 9 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.600 0.599 18115
3686 1 9 . 1 1 53 53 GLU H H 588 8.429 8.429 8.371 0.058 18115
3687 1 9 . 1 1 54 54 LYS N N 589 121.635 121.635 120.727 0.908 18115
3688 1 9 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.330 -0.180 18115
3689 1 9 . 1 1 54 54 LYS C C 589 178.445 178.445 178.209 0.236 18115
3690 1 9 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.068 0.639 18115
3691 1 9 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.080 0.710 18115
3692 1 9 . 1 1 54 54 LYS H H 589 8.763 8.763 8.885 -0.122 18115
3693 1 9 . 1 1 55 55 ASP N N 590 116.537 116.537 119.176 -2.639 18115
3694 1 9 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.284 0.036 18115
3695 1 9 . 1 1 55 55 ASP C C 590 178.649 178.649 178.335 0.314 18115
3696 1 9 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.780 -0.768 18115
3697 1 9 . 1 1 55 55 ASP CB C 590 40.089 40.089 40.237 -0.148 18115
3698 1 9 . 1 1 55 55 ASP H H 590 8.814 8.814 8.623 0.191 18115
3699 1 9 . 1 1 56 56 GLU N N 591 119.611 119.611 119.284 0.327 18115
3700 1 9 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.274 -0.209 18115
3701 1 9 . 1 1 56 56 GLU C C 591 179.582 179.582 179.074 0.508 18115
3702 1 9 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.203 0.310 18115
3703 1 9 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.205 0.608 18115
3704 1 9 . 1 1 56 56 GLU H H 591 7.785 7.785 7.961 -0.176 18115
3705 1 9 . 1 1 57 57 PHE N N 592 117.509 117.509 118.431 -0.922 18115
3706 1 9 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.282 -0.057 18115
3707 1 9 . 1 1 57 57 PHE C C 592 178.436 178.436 177.990 0.446 18115
3708 1 9 . 1 1 57 57 PHE CA C 592 61.611 61.611 62.002 -0.391 18115
3709 1 9 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.530 0.304 18115
3710 1 9 . 1 1 57 57 PHE H H 592 7.443 7.443 7.523 -0.080 18115
3711 1 9 . 1 1 58 58 GLU N N 593 118.501 118.501 119.862 -1.361 18115
3712 1 9 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.966 0.168 18115
3713 1 9 . 1 1 58 58 GLU C C 593 178.855 178.855 179.386 -0.531 18115
3714 1 9 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.600 -0.616 18115
3715 1 9 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.855 0.212 18115
3716 1 9 . 1 1 58 58 GLU H H 593 7.952 7.952 8.521 -0.569 18115
3717 1 9 . 1 1 59 59 HIS N N 594 118.563 118.563 117.971 0.592 18115
3718 1 9 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.309 -0.096 18115
3719 1 9 . 1 1 59 59 HIS C C 594 177.856 177.856 177.662 0.194 18115
3720 1 9 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.194 0.074 18115
3721 1 9 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.579 -0.542 18115
3722 1 9 . 1 1 59 59 HIS H H 594 8.126 8.126 8.389 -0.263 18115
3723 1 9 . 1 1 60 60 LYS N N 595 119.034 119.034 120.687 -1.653 18115
3724 1 9 . 1 1 60 60 LYS HA H 595 3.694 3.694 4.102 -0.408 18115
3725 1 9 . 1 1 60 60 LYS C C 595 178.057 178.057 178.879 -0.822 18115
3726 1 9 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.431 -1.284 18115
3727 1 9 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.817 -1.040 18115
3728 1 9 . 1 1 60 60 LYS H H 595 7.733 7.733 7.660 0.073 18115
3729 1 9 . 1 1 61 61 ARG N N 596 120.071 120.071 119.368 0.703 18115
3730 1 9 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.724 -0.076 18115
3731 1 9 . 1 1 61 61 ARG C C 596 177.921 177.921 178.025 -0.104 18115
3732 1 9 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.857 0.321 18115
3733 1 9 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.065 -0.260 18115
3734 1 9 . 1 1 61 61 ARG H H 596 8.167 8.167 8.421 -0.254 18115
3735 1 9 . 1 1 62 62 LYS N N 597 118.731 118.731 118.316 0.415 18115
3736 1 9 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.149 -0.263 18115
3737 1 9 . 1 1 62 62 LYS C C 597 178.963 178.963 179.539 -0.576 18115
3738 1 9 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.391 0.846 18115
3739 1 9 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.523 0.376 18115
3740 1 9 . 1 1 62 62 LYS H H 597 7.948 7.948 7.759 0.189 18115
3741 1 9 . 1 1 63 63 GLU N N 598 118.881 118.881 119.948 -1.067 18115
3742 1 9 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.960 -0.084 18115
3743 1 9 . 1 1 63 63 GLU C C 598 179.408 179.408 179.078 0.330 18115
3744 1 9 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.147 0.238 18115
3745 1 9 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.520 0.883 18115
3746 1 9 . 1 1 63 63 GLU H H 598 7.794 7.794 7.737 0.057 18115
3747 1 9 . 1 1 64 64 LEU N N 599 119.904 119.904 120.563 -0.659 18115
3748 1 9 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.930 0.140 18115
3749 1 9 . 1 1 64 64 LEU C C 599 178.814 178.814 179.139 -0.325 18115
3750 1 9 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.966 0.030 18115
3751 1 9 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.311 0.709 18115
3752 1 9 . 1 1 64 64 LEU H H 599 7.800 7.800 8.182 -0.382 18115
3753 1 9 . 1 1 65 65 GLU N N 600 122.446 122.446 120.311 2.135 18115
3754 1 9 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.042 0.124 18115
3755 1 9 . 1 1 65 65 GLU C C 600 178.550 178.550 179.139 -0.589 18115
3756 1 9 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.547 0.184 18115
3757 1 9 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.397 0.872 18115
3758 1 9 . 1 1 65 65 GLU H H 600 8.948 8.948 8.563 0.385 18115
3759 1 9 . 1 1 66 66 GLN N N 601 116.068 116.068 117.059 -0.991 18115
3760 1 9 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.119 -0.168 18115
3761 1 9 . 1 1 66 66 GLN C C 601 178.277 178.277 178.347 -0.070 18115
3762 1 9 . 1 1 66 66 GLN CA C 601 58.526 58.526 57.892 0.634 18115
3763 1 9 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.362 0.260 18115
3764 1 9 . 1 1 66 66 GLN H H 601 8.109 8.109 7.993 0.116 18115
3765 1 9 . 1 1 67 67 VAL N N 602 116.121 116.121 118.764 -2.643 18115
3766 1 9 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.971 -0.166 18115
3767 1 9 . 1 1 67 67 VAL C C 602 177.423 177.423 177.345 0.078 18115
3768 1 9 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.602 0.503 18115
3769 1 9 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.107 1.070 18115
3770 1 9 . 1 1 67 67 VAL H H 602 7.171 7.171 7.594 -0.423 18115
3771 1 9 . 1 1 68 68 CYS N N 603 114.504 114.504 115.698 -1.194 18115
3772 1 9 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.344 -0.346 18115
3773 1 9 . 1 1 68 68 CYS C C 603 176.503 176.503 176.613 -0.110 18115
3774 1 9 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.199 3.126 18115
3775 1 9 . 1 1 68 68 CYS CB C 603 28.665 28.665 27.080 1.585 18115
3776 1 9 . 1 1 68 68 CYS H H 603 8.138 8.138 8.072 0.066 18115
3777 1 9 . 1 1 69 69 ASN N N 604 119.915 119.915 121.788 -1.873 18115
3778 1 9 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.526 0.048 18115
3779 1 9 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.655 0.160 18115
3780 1 9 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.547 -0.732 18115
3781 1 9 . 1 1 69 69 ASN H H 604 9.045 9.045 8.766 0.279 18115
3782 1 9 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.264 0.007 18115
3783 1 9 . 1 1 70 70 PRO C C 605 177.471 177.471 177.260 0.211 18115
3784 1 9 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.200 0.470 18115
3785 1 9 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.290 0.298 18115
3786 1 9 . 1 1 71 71 ILE N N 606 115.752 115.752 113.749 2.003 18115
3787 1 9 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.195 -0.377 18115
3788 1 9 . 1 1 71 71 ILE C C 606 177.032 177.032 177.991 -0.959 18115
3789 1 9 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.226 0.092 18115
3790 1 9 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.473 1.151 18115
3791 1 9 . 1 1 71 71 ILE H H 606 6.851 6.851 7.388 -0.537 18115
3792 1 9 . 1 1 72 72 ILE N N 607 116.042 116.042 122.359 -6.317 18115
3793 1 9 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.738 0.268 18115
3794 1 9 . 1 1 72 72 ILE C C 607 177.236 177.236 178.282 -1.046 18115
3795 1 9 . 1 1 72 72 ILE CA C 607 61.726 61.726 64.092 -2.366 18115
3796 1 9 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.272 1.030 18115
3797 1 9 . 1 1 72 72 ILE H H 607 8.032 8.032 8.662 -0.630 18115
3798 1 9 . 1 1 73 73 SER N N 608 115.855 115.855 115.782 0.073 18115
3799 1 9 . 1 1 73 73 SER HA H 608 4.277 4.277 4.285 -0.008 18115
3800 1 9 . 1 1 73 73 SER C C 608 175.111 175.111 175.525 -0.414 18115
3801 1 9 . 1 1 73 73 SER CA C 608 60.134 60.134 60.725 -0.591 18115
3802 1 9 . 1 1 73 73 SER CB C 608 63.480 63.480 63.167 0.313 18115
3803 1 9 . 1 1 73 73 SER H H 608 8.001 8.001 8.311 -0.310 18115
3804 1 9 . 1 1 74 74 GLY N N 609 109.991 109.991 108.586 1.405 18115
3805 1 9 . 1 1 74 74 GLY C C 609 173.508 173.508 173.057 0.451 18115
3806 1 9 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.723 0.592 18115
3807 1 9 . 1 1 74 74 GLY H H 609 7.924 7.924 7.785 0.139 18115
3808 1 10 . 1 1 3 3 ALA N N 538 127.340 127.340 124.933 2.407 18115
3809 1 10 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.993 0.114 18115
3810 1 10 . 1 1 3 3 ALA C C 538 179.658 179.658 178.424 1.234 18115
3811 1 10 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.653 0.138 18115
3812 1 10 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.652 -0.045 18115
3813 1 10 . 1 1 3 3 ALA H H 538 8.781 8.781 8.109 0.672 18115
3814 1 10 . 1 1 4 4 LYS N N 539 120.439 120.439 117.837 2.602 18115
3815 1 10 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.268 -0.003 18115
3816 1 10 . 1 1 4 4 LYS C C 539 177.428 177.428 178.008 -0.580 18115
3817 1 10 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.674 1.067 18115
3818 1 10 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.246 0.996 18115
3819 1 10 . 1 1 4 4 LYS H H 539 8.006 8.006 7.969 0.037 18115
3820 1 10 . 1 1 5 5 ASN N N 540 117.109 117.109 116.577 0.532 18115
3821 1 10 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.397 -0.016 18115
3822 1 10 . 1 1 5 5 ASN C C 540 177.598 177.598 177.426 0.172 18115
3823 1 10 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.133 -0.374 18115
3824 1 10 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.612 0.673 18115
3825 1 10 . 1 1 5 5 ASN H H 540 7.789 7.789 8.198 -0.409 18115
3826 1 10 . 1 1 6 6 ALA N N 541 122.489 122.489 123.036 -0.547 18115
3827 1 10 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.184 -0.079 18115
3828 1 10 . 1 1 6 6 ALA C C 541 180.393 180.393 180.085 0.308 18115
3829 1 10 . 1 1 6 6 ALA CA C 541 55.036 55.036 54.942 0.094 18115
3830 1 10 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.416 -0.261 18115
3831 1 10 . 1 1 6 6 ALA H H 541 8.209 8.209 8.039 0.170 18115
3832 1 10 . 1 1 7 7 LEU N N 542 120.603 120.603 120.194 0.409 18115
3833 1 10 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.156 0.037 18115
3834 1 10 . 1 1 7 7 LEU C C 542 177.015 177.015 178.738 -1.723 18115
3835 1 10 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.049 -0.094 18115
3836 1 10 . 1 1 7 7 LEU CB C 542 41.223 41.223 41.312 -0.089 18115
3837 1 10 . 1 1 7 7 LEU H H 542 7.775 7.775 8.192 -0.417 18115
3838 1 10 . 1 1 8 8 GLU N N 543 119.550 119.550 120.336 -0.786 18115
3839 1 10 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.137 -0.582 18115
3840 1 10 . 1 1 8 8 GLU C C 543 177.949 177.949 179.096 -1.147 18115
3841 1 10 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.289 0.023 18115
3842 1 10 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.934 0.491 18115
3843 1 10 . 1 1 8 8 GLU H H 543 8.418 8.418 8.933 -0.515 18115
3844 1 10 . 1 1 9 9 SER N N 544 112.181 112.181 115.662 -3.481 18115
3845 1 10 . 1 1 9 9 SER HA H 544 4.192 4.192 4.164 0.028 18115
3846 1 10 . 1 1 9 9 SER C C 544 176.285 176.285 176.425 -0.140 18115
3847 1 10 . 1 1 9 9 SER CA C 544 61.890 61.890 62.528 -0.638 18115
3848 1 10 . 1 1 9 9 SER CB C 544 63.000 63.000 62.936 0.064 18115
3849 1 10 . 1 1 9 9 SER H H 544 8.313 8.313 8.643 -0.330 18115
3850 1 10 . 1 1 10 10 TYR N N 545 122.309 122.309 123.061 -0.752 18115
3851 1 10 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.166 0.223 18115
3852 1 10 . 1 1 10 10 TYR C C 545 177.193 177.193 176.962 0.231 18115
3853 1 10 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.458 -0.116 18115
3854 1 10 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.264 0.623 18115
3855 1 10 . 1 1 10 10 TYR H H 545 7.811 7.811 7.866 -0.055 18115
3856 1 10 . 1 1 11 11 ALA N N 546 120.404 120.404 122.310 -1.906 18115
3857 1 10 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.174 -0.385 18115
3858 1 10 . 1 1 11 11 ALA C C 546 179.480 179.480 179.742 -0.262 18115
3859 1 10 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.917 0.771 18115
3860 1 10 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.249 -0.623 18115
3861 1 10 . 1 1 11 11 ALA H H 546 8.456 8.456 8.235 0.221 18115
3862 1 10 . 1 1 12 12 PHE N N 547 116.158 116.158 118.118 -1.960 18115
3863 1 10 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.102 0.043 18115
3864 1 10 . 1 1 12 12 PHE C C 547 179.133 179.133 178.244 0.889 18115
3865 1 10 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.928 -1.515 18115
3866 1 10 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.713 -0.433 18115
3867 1 10 . 1 1 12 12 PHE H H 547 8.430 8.430 9.195 -0.765 18115
3868 1 10 . 1 1 13 13 ASN N N 548 120.231 120.231 118.715 1.516 18115
3869 1 10 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.503 -0.084 18115
3870 1 10 . 1 1 13 13 ASN C C 548 178.326 178.326 177.877 0.449 18115
3871 1 10 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.287 -0.335 18115
3872 1 10 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.168 -0.214 18115
3873 1 10 . 1 1 13 13 ASN H H 548 8.654 8.654 8.517 0.137 18115
3874 1 10 . 1 1 14 14 MET N N 549 121.990 121.990 118.649 3.341 18115
3875 1 10 . 1 1 14 14 MET HA H 549 4.278 4.278 4.206 0.072 18115
3876 1 10 . 1 1 14 14 MET C C 549 176.929 176.929 178.251 -1.322 18115
3877 1 10 . 1 1 14 14 MET CA C 549 57.182 57.182 57.755 -0.573 18115
3878 1 10 . 1 1 14 14 MET CB C 549 32.998 32.998 31.820 1.178 18115
3879 1 10 . 1 1 14 14 MET H H 549 8.331 8.331 8.377 -0.046 18115
3880 1 10 . 1 1 15 15 LYS N N 550 119.946 119.946 120.775 -0.829 18115
3881 1 10 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.900 -0.185 18115
3882 1 10 . 1 1 15 15 LYS C C 550 177.879 177.879 178.789 -0.910 18115
3883 1 10 . 1 1 15 15 LYS CA C 550 59.971 59.971 59.972 -0.001 18115
3884 1 10 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.265 0.545 18115
3885 1 10 . 1 1 15 15 LYS H H 550 7.731 7.731 8.491 -0.760 18115
3886 1 10 . 1 1 16 16 SER N N 551 111.477 111.477 115.102 -3.625 18115
3887 1 10 . 1 1 16 16 SER HA H 551 4.093 4.093 4.158 -0.065 18115
3888 1 10 . 1 1 16 16 SER C C 551 177.031 177.031 176.176 0.855 18115
3889 1 10 . 1 1 16 16 SER CA C 551 61.173 61.173 61.931 -0.757 18115
3890 1 10 . 1 1 16 16 SER CB C 551 63.007 63.007 63.121 -0.114 18115
3891 1 10 . 1 1 16 16 SER H H 551 7.766 7.766 8.231 -0.465 18115
3892 1 10 . 1 1 17 17 ALA N N 552 123.689 123.689 122.807 0.882 18115
3893 1 10 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.158 -0.075 18115
3894 1 10 . 1 1 17 17 ALA C C 552 180.384 180.384 179.592 0.792 18115
3895 1 10 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.726 0.562 18115
3896 1 10 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.697 -0.532 18115
3897 1 10 . 1 1 17 17 ALA H H 552 8.089 8.089 7.818 0.271 18115
3898 1 10 . 1 1 18 18 VAL N N 553 109.294 109.294 113.509 -4.215 18115
3899 1 10 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.840 0.176 18115
3900 1 10 . 1 1 18 18 VAL C C 553 176.352 176.352 177.591 -1.239 18115
3901 1 10 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.085 -1.327 18115
3902 1 10 . 1 1 18 18 VAL CB C 553 31.652 31.652 32.001 -0.349 18115
3903 1 10 . 1 1 18 18 VAL H H 553 7.560 7.560 7.606 -0.046 18115
3904 1 10 . 1 1 19 19 GLU N N 554 118.414 118.414 117.917 0.497 18115
3905 1 10 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.177 0.038 18115
3906 1 10 . 1 1 19 19 GLU C C 554 176.794 176.794 176.409 0.385 18115
3907 1 10 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.652 0.092 18115
3908 1 10 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.288 0.871 18115
3909 1 10 . 1 1 19 19 GLU H H 554 7.389 7.389 7.801 -0.412 18115
3910 1 10 . 1 1 20 20 ASP N N 555 120.735 120.735 120.323 0.412 18115
3911 1 10 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.551 -0.184 18115
3912 1 10 . 1 1 20 20 ASP C C 555 178.171 178.171 177.242 0.929 18115
3913 1 10 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.401 1.466 18115
3914 1 10 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.279 0.595 18115
3915 1 10 . 1 1 20 20 ASP H H 555 7.224 7.224 7.283 -0.059 18115
3916 1 10 . 1 1 21 21 GLU N N 556 126.927 126.927 124.966 1.961 18115
3917 1 10 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.117 -0.136 18115
3918 1 10 . 1 1 21 21 GLU C C 556 178.691 178.691 176.819 1.872 18115
3919 1 10 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.928 1.216 18115
3920 1 10 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.215 0.335 18115
3921 1 10 . 1 1 21 21 GLU H H 556 9.007 9.007 8.712 0.295 18115
3922 1 10 . 1 1 22 22 GLY N N 557 108.255 108.255 107.288 0.967 18115
3923 1 10 . 1 1 22 22 GLY C C 557 175.344 175.344 175.133 0.211 18115
3924 1 10 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.362 1.046 18115
3925 1 10 . 1 1 22 22 GLY H H 557 9.031 9.031 8.224 0.807 18115
3926 1 10 . 1 1 23 23 LEU N N 558 119.463 119.463 121.278 -1.815 18115
3927 1 10 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.367 -0.021 18115
3928 1 10 . 1 1 23 23 LEU C C 558 177.893 177.893 176.130 1.763 18115
3929 1 10 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.886 0.034 18115
3930 1 10 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.601 -0.215 18115
3931 1 10 . 1 1 23 23 LEU H H 558 7.606 7.606 8.185 -0.580 18115
3932 1 10 . 1 1 24 24 LYS N N 559 120.994 120.994 119.124 1.870 18115
3933 1 10 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.038 0.034 18115
3934 1 10 . 1 1 24 24 LYS C C 559 177.830 177.830 176.903 0.927 18115
3935 1 10 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.724 0.753 18115
3936 1 10 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.652 0.707 18115
3937 1 10 . 1 1 24 24 LYS H H 559 7.572 7.572 7.496 0.076 18115
3938 1 10 . 1 1 25 25 GLY N N 560 111.895 111.895 114.850 -2.955 18115
3939 1 10 . 1 1 25 25 GLY C C 560 174.451 174.451 175.004 -0.553 18115
3940 1 10 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.137 0.449 18115
3941 1 10 . 1 1 25 25 GLY H H 560 8.770 8.770 8.170 0.600 18115
3942 1 10 . 1 1 26 26 LYS N N 561 118.925 118.925 121.345 -2.420 18115
3943 1 10 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.233 0.103 18115
3944 1 10 . 1 1 26 26 LYS C C 561 175.860 175.860 176.914 -1.054 18115
3945 1 10 . 1 1 26 26 LYS CA C 561 56.866 56.866 58.200 -1.334 18115
3946 1 10 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.043 1.158 18115
3947 1 10 . 1 1 26 26 LYS H H 561 8.116 8.116 7.814 0.302 18115
3948 1 10 . 1 1 27 27 ILE N N 562 116.463 116.463 118.294 -1.831 18115
3949 1 10 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.304 0.194 18115
3950 1 10 . 1 1 27 27 ILE C C 562 174.838 174.838 174.279 0.559 18115
3951 1 10 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.676 -0.288 18115
3952 1 10 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.838 -0.169 18115
3953 1 10 . 1 1 27 27 ILE H H 562 7.430 7.430 7.335 0.095 18115
3954 1 10 . 1 1 28 28 SER N N 563 124.501 124.501 121.620 2.881 18115
3955 1 10 . 1 1 28 28 SER HA H 563 4.404 4.404 4.592 -0.188 18115
3956 1 10 . 1 1 28 28 SER C C 563 174.870 174.870 175.779 -0.909 18115
3957 1 10 . 1 1 28 28 SER CA C 563 57.432 57.432 58.092 -0.660 18115
3958 1 10 . 1 1 28 28 SER CB C 563 64.793 64.793 64.078 0.715 18115
3959 1 10 . 1 1 28 28 SER H H 563 9.375 9.375 8.817 0.558 18115
3960 1 10 . 1 1 29 29 GLU N N 564 122.048 122.048 125.651 -3.603 18115
3961 1 10 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.945 -0.045 18115
3962 1 10 . 1 1 29 29 GLU C C 564 179.396 179.396 178.259 1.137 18115
3963 1 10 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.592 0.122 18115
3964 1 10 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.182 0.036 18115
3965 1 10 . 1 1 29 29 GLU H H 564 8.970 8.970 9.076 -0.106 18115
3966 1 10 . 1 1 30 30 ALA N N 565 120.829 120.829 122.730 -1.901 18115
3967 1 10 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.077 -0.031 18115
3968 1 10 . 1 1 30 30 ALA C C 565 180.524 180.524 179.644 0.880 18115
3969 1 10 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.185 -0.147 18115
3970 1 10 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.737 0.726 18115
3971 1 10 . 1 1 30 30 ALA H H 565 8.465 8.465 8.439 0.026 18115
3972 1 10 . 1 1 31 31 ASP N N 566 121.111 121.111 119.021 2.090 18115
3973 1 10 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.344 0.095 18115
3974 1 10 . 1 1 31 31 ASP C C 566 177.738 177.738 178.545 -0.807 18115
3975 1 10 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.746 -0.440 18115
3976 1 10 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.496 -0.541 18115
3977 1 10 . 1 1 31 31 ASP H H 566 7.835 7.835 7.618 0.217 18115
3978 1 10 . 1 1 32 32 LYS N N 567 121.278 121.278 121.220 0.058 18115
3979 1 10 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.868 -0.275 18115
3980 1 10 . 1 1 32 32 LYS C C 567 177.700 177.700 178.873 -1.173 18115
3981 1 10 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.867 0.686 18115
3982 1 10 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.410 0.186 18115
3983 1 10 . 1 1 32 32 LYS H H 567 8.379 8.379 8.353 0.026 18115
3984 1 10 . 1 1 33 33 LYS N N 568 117.531 117.531 118.357 -0.826 18115
3985 1 10 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.994 -0.155 18115
3986 1 10 . 1 1 33 33 LYS C C 568 177.391 177.391 178.915 -1.524 18115
3987 1 10 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.744 -0.337 18115
3988 1 10 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.551 -0.070 18115
3989 1 10 . 1 1 33 33 LYS H H 568 7.846 7.846 8.311 -0.465 18115
3990 1 10 . 1 1 34 34 LYS N N 569 118.376 118.376 120.022 -1.646 18115
3991 1 10 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.047 -0.048 18115
3992 1 10 . 1 1 34 34 LYS C C 569 180.064 180.064 178.944 1.120 18115
3993 1 10 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.356 0.597 18115
3994 1 10 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.218 0.637 18115
3995 1 10 . 1 1 34 34 LYS H H 569 7.647 7.647 8.116 -0.469 18115
3996 1 10 . 1 1 35 35 VAL N N 570 118.353 118.353 120.992 -2.639 18115
3997 1 10 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.748 -0.274 18115
3998 1 10 . 1 1 35 35 VAL C C 570 178.019 178.019 177.437 0.582 18115
3999 1 10 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.886 1.066 18115
4000 1 10 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.095 0.438 18115
4001 1 10 . 1 1 35 35 VAL H H 570 7.638 7.638 8.030 -0.392 18115
4002 1 10 . 1 1 36 36 LEU N N 571 120.671 120.671 121.343 -0.672 18115
4003 1 10 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.836 -0.046 18115
4004 1 10 . 1 1 36 36 LEU C C 571 180.444 180.444 178.951 1.493 18115
4005 1 10 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.718 0.195 18115
4006 1 10 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.332 -0.124 18115
4007 1 10 . 1 1 36 36 LEU H H 571 8.693 8.693 8.273 0.420 18115
4008 1 10 . 1 1 37 37 ASP N N 572 120.071 120.071 119.142 0.929 18115
4009 1 10 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.262 0.057 18115
4010 1 10 . 1 1 37 37 ASP C C 572 179.345 179.345 178.462 0.883 18115
4011 1 10 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.781 -0.498 18115
4012 1 10 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.845 -1.169 18115
4013 1 10 . 1 1 37 37 ASP H H 572 9.265 9.265 8.427 0.838 18115
4014 1 10 . 1 1 38 38 LYS N N 573 121.858 121.858 120.412 1.446 18115
4015 1 10 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.097 0.163 18115
4016 1 10 . 1 1 38 38 LYS C C 573 178.856 178.856 178.703 0.153 18115
4017 1 10 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.679 -1.619 18115
4018 1 10 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.837 -0.852 18115
4019 1 10 . 1 1 38 38 LYS H H 573 7.674 7.674 8.068 -0.394 18115
4020 1 10 . 1 1 39 39 CYS N N 574 117.635 117.635 118.528 -0.893 18115
4021 1 10 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.109 -0.246 18115
4022 1 10 . 1 1 39 39 CYS C C 574 176.479 176.479 176.974 -0.495 18115
4023 1 10 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.232 1.338 18115
4024 1 10 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.956 -0.276 18115
4025 1 10 . 1 1 39 39 CYS H H 574 8.818 8.818 8.754 0.064 18115
4026 1 10 . 1 1 40 40 GLN N N 575 118.089 118.089 118.599 -0.510 18115
4027 1 10 . 1 1 40 40 GLN HA H 575 3.959 3.959 3.988 -0.029 18115
4028 1 10 . 1 1 40 40 GLN C C 575 178.023 178.023 178.457 -0.434 18115
4029 1 10 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.560 0.109 18115
4030 1 10 . 1 1 40 40 GLN CB C 575 28.090 28.090 27.825 0.265 18115
4031 1 10 . 1 1 40 40 GLN H H 575 8.203 8.203 8.352 -0.149 18115
4032 1 10 . 1 1 41 41 GLU N N 576 121.535 121.535 120.749 0.786 18115
4033 1 10 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.033 -0.041 18115
4034 1 10 . 1 1 41 41 GLU C C 576 179.586 179.586 178.886 0.700 18115
4035 1 10 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.972 -0.083 18115
4036 1 10 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.674 0.339 18115
4037 1 10 . 1 1 41 41 GLU H H 576 8.074 8.074 8.166 -0.092 18115
4038 1 10 . 1 1 42 42 VAL N N 577 120.038 120.038 120.297 -0.259 18115
4039 1 10 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.842 -0.131 18115
4040 1 10 . 1 1 42 42 VAL C C 577 177.102 177.102 178.056 -0.954 18115
4041 1 10 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.664 1.456 18115
4042 1 10 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.953 -0.421 18115
4043 1 10 . 1 1 42 42 VAL H H 577 8.144 8.144 7.927 0.217 18115
4044 1 10 . 1 1 43 43 ILE N N 578 122.306 122.306 120.569 1.737 18115
4045 1 10 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.758 -0.061 18115
4046 1 10 . 1 1 43 43 ILE C C 578 178.491 178.491 177.972 0.519 18115
4047 1 10 . 1 1 43 43 ILE CA C 578 65.618 65.618 65.966 -0.348 18115
4048 1 10 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.724 -0.037 18115
4049 1 10 . 1 1 43 43 ILE H H 578 8.504 8.504 8.648 -0.144 18115
4050 1 10 . 1 1 44 44 SER N N 579 115.928 115.928 116.298 -0.370 18115
4051 1 10 . 1 1 44 44 SER HA H 579 4.265 4.265 4.253 0.012 18115
4052 1 10 . 1 1 44 44 SER C C 579 177.129 177.129 176.091 1.038 18115
4053 1 10 . 1 1 44 44 SER CA C 579 62.208 62.208 62.367 -0.159 18115
4054 1 10 . 1 1 44 44 SER CB C 579 62.906 62.906 62.899 0.007 18115
4055 1 10 . 1 1 44 44 SER H H 579 8.562 8.562 8.417 0.145 18115
4056 1 10 . 1 1 45 45 TRP N N 580 124.917 124.917 124.224 0.693 18115
4057 1 10 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.360 -0.319 18115
4058 1 10 . 1 1 45 45 TRP C C 580 179.278 179.278 177.699 1.579 18115
4059 1 10 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.141 1.365 18115
4060 1 10 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.574 -1.056 18115
4061 1 10 . 1 1 45 45 TRP H H 580 8.406 8.406 8.151 0.255 18115
4062 1 10 . 1 1 46 46 LEU N N 581 122.211 122.211 119.817 2.394 18115
4063 1 10 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.744 -0.088 18115
4064 1 10 . 1 1 46 46 LEU C C 581 179.119 179.119 179.342 -0.223 18115
4065 1 10 . 1 1 46 46 LEU CA C 581 58.434 58.434 57.883 0.551 18115
4066 1 10 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.887 0.652 18115
4067 1 10 . 1 1 46 46 LEU H H 581 9.012 9.012 8.506 0.506 18115
4068 1 10 . 1 1 47 47 ASP N N 582 117.724 117.724 118.384 -0.660 18115
4069 1 10 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.340 -0.062 18115
4070 1 10 . 1 1 47 47 ASP C C 582 177.154 177.154 177.970 -0.816 18115
4071 1 10 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.961 -0.167 18115
4072 1 10 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.051 0.138 18115
4073 1 10 . 1 1 47 47 ASP H H 582 7.665 7.665 7.833 -0.168 18115
4074 1 10 . 1 1 48 48 ALA N N 583 118.604 118.604 120.196 -1.592 18115
4075 1 10 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.144 0.144 18115
4076 1 10 . 1 1 48 48 ALA C C 583 177.776 177.776 177.977 -0.201 18115
4077 1 10 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.906 -1.553 18115
4078 1 10 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.232 0.661 18115
4079 1 10 . 1 1 48 48 ALA H H 583 7.129 7.129 7.466 -0.337 18115
4080 1 10 . 1 1 49 49 ASN N N 584 118.883 118.883 117.450 1.433 18115
4081 1 10 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.750 -0.079 18115
4082 1 10 . 1 1 49 49 ASN C C 584 174.761 174.761 175.223 -0.462 18115
4083 1 10 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.300 0.548 18115
4084 1 10 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.267 -0.299 18115
4085 1 10 . 1 1 49 49 ASN H H 584 7.284 7.284 7.672 -0.388 18115
4086 1 10 . 1 1 50 50 THR N N 585 112.258 112.258 112.873 -0.615 18115
4087 1 10 . 1 1 50 50 THR HA H 585 3.967 3.967 4.278 -0.311 18115
4088 1 10 . 1 1 50 50 THR C C 585 175.787 175.787 174.806 0.981 18115
4089 1 10 . 1 1 50 50 THR CA C 585 65.175 65.175 64.462 0.713 18115
4090 1 10 . 1 1 50 50 THR CB C 585 69.336 69.336 68.711 0.625 18115
4091 1 10 . 1 1 50 50 THR H H 585 7.615 7.615 8.069 -0.454 18115
4092 1 10 . 1 1 51 51 LEU N N 586 120.550 120.550 120.252 0.298 18115
4093 1 10 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.698 -0.155 18115
4094 1 10 . 1 1 51 51 LEU C C 586 176.635 176.635 176.516 0.119 18115
4095 1 10 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.309 0.652 18115
4096 1 10 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.570 0.502 18115
4097 1 10 . 1 1 51 51 LEU H H 586 8.254 8.254 7.630 0.624 18115
4098 1 10 . 1 1 52 52 ALA N N 587 123.048 123.048 123.078 -0.030 18115
4099 1 10 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.063 0.013 18115
4100 1 10 . 1 1 52 52 ALA C C 587 176.356 176.356 177.255 -0.899 18115
4101 1 10 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.073 0.523 18115
4102 1 10 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.617 -0.186 18115
4103 1 10 . 1 1 52 52 ALA H H 587 7.124 7.124 7.198 -0.074 18115
4104 1 10 . 1 1 53 53 GLU N N 588 118.471 118.471 120.964 -2.493 18115
4105 1 10 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.565 -0.205 18115
4106 1 10 . 1 1 53 53 GLU C C 588 177.945 177.945 177.957 -0.012 18115
4107 1 10 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.422 0.315 18115
4108 1 10 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.992 0.207 18115
4109 1 10 . 1 1 53 53 GLU H H 588 8.429 8.429 9.140 -0.711 18115
4110 1 10 . 1 1 54 54 LYS N N 589 121.635 121.635 121.106 0.529 18115
4111 1 10 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.234 -0.083 18115
4112 1 10 . 1 1 54 54 LYS C C 589 178.445 178.445 178.007 0.438 18115
4113 1 10 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.241 0.466 18115
4114 1 10 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.064 0.726 18115
4115 1 10 . 1 1 54 54 LYS H H 589 8.763 8.763 8.862 -0.099 18115
4116 1 10 . 1 1 55 55 ASP N N 590 116.537 116.537 117.053 -0.516 18115
4117 1 10 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.722 -0.402 18115
4118 1 10 . 1 1 55 55 ASP C C 590 178.649 178.649 178.684 -0.035 18115
4119 1 10 . 1 1 55 55 ASP CA C 590 57.012 57.012 56.972 0.040 18115
4120 1 10 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.729 0.360 18115
4121 1 10 . 1 1 55 55 ASP H H 590 8.814 8.814 8.877 -0.063 18115
4122 1 10 . 1 1 56 56 GLU N N 591 119.611 119.611 120.578 -0.967 18115
4123 1 10 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.088 -0.023 18115
4124 1 10 . 1 1 56 56 GLU C C 591 179.582 179.582 178.897 0.685 18115
4125 1 10 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.635 -0.122 18115
4126 1 10 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.248 0.565 18115
4127 1 10 . 1 1 56 56 GLU H H 591 7.785 7.785 7.876 -0.091 18115
4128 1 10 . 1 1 57 57 PHE N N 592 117.509 117.509 118.419 -0.910 18115
4129 1 10 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.436 -0.211 18115
4130 1 10 . 1 1 57 57 PHE C C 592 178.436 178.436 178.180 0.256 18115
4131 1 10 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.649 -0.038 18115
4132 1 10 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.852 -0.018 18115
4133 1 10 . 1 1 57 57 PHE H H 592 7.443 7.443 7.599 -0.156 18115
4134 1 10 . 1 1 58 58 GLU N N 593 118.501 118.501 119.169 -0.668 18115
4135 1 10 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.913 0.221 18115
4136 1 10 . 1 1 58 58 GLU C C 593 178.855 178.855 178.678 0.177 18115
4137 1 10 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.790 -0.806 18115
4138 1 10 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.528 -0.461 18115
4139 1 10 . 1 1 58 58 GLU H H 593 7.952 7.952 8.770 -0.818 18115
4140 1 10 . 1 1 59 59 HIS N N 594 118.563 118.563 119.294 -0.731 18115
4141 1 10 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.302 -0.089 18115
4142 1 10 . 1 1 59 59 HIS C C 594 177.856 177.856 177.199 0.657 18115
4143 1 10 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.545 -0.277 18115
4144 1 10 . 1 1 59 59 HIS CB C 594 29.037 29.037 30.032 -0.995 18115
4145 1 10 . 1 1 59 59 HIS H H 594 8.126 8.126 8.307 -0.181 18115
4146 1 10 . 1 1 60 60 LYS N N 595 119.034 119.034 120.230 -1.196 18115
4147 1 10 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.936 -0.242 18115
4148 1 10 . 1 1 60 60 LYS C C 595 178.057 178.057 178.639 -0.582 18115
4149 1 10 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.014 -0.867 18115
4150 1 10 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.495 -0.718 18115
4151 1 10 . 1 1 60 60 LYS H H 595 7.733 7.733 7.822 -0.089 18115
4152 1 10 . 1 1 61 61 ARG N N 596 120.071 120.071 119.030 1.041 18115
4153 1 10 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.697 -0.049 18115
4154 1 10 . 1 1 61 61 ARG C C 596 177.921 177.921 178.158 -0.237 18115
4155 1 10 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.675 0.503 18115
4156 1 10 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.917 -0.112 18115
4157 1 10 . 1 1 61 61 ARG H H 596 8.167 8.167 8.368 -0.201 18115
4158 1 10 . 1 1 62 62 LYS N N 597 118.731 118.731 118.155 0.576 18115
4159 1 10 . 1 1 62 62 LYS HA H 597 3.886 3.886 3.948 -0.062 18115
4160 1 10 . 1 1 62 62 LYS C C 597 178.963 178.963 178.902 0.061 18115
4161 1 10 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.331 0.906 18115
4162 1 10 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.359 0.540 18115
4163 1 10 . 1 1 62 62 LYS H H 597 7.948 7.948 7.462 0.486 18115
4164 1 10 . 1 1 63 63 GLU N N 598 118.881 118.881 120.287 -1.406 18115
4165 1 10 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.867 0.009 18115
4166 1 10 . 1 1 63 63 GLU C C 598 179.408 179.408 178.994 0.414 18115
4167 1 10 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.148 0.237 18115
4168 1 10 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.453 0.950 18115
4169 1 10 . 1 1 63 63 GLU H H 598 7.794 7.794 7.454 0.340 18115
4170 1 10 . 1 1 64 64 LEU N N 599 119.904 119.904 120.407 -0.503 18115
4171 1 10 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.936 0.134 18115
4172 1 10 . 1 1 64 64 LEU C C 599 178.814 178.814 178.381 0.433 18115
4173 1 10 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.561 0.435 18115
4174 1 10 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.396 0.624 18115
4175 1 10 . 1 1 64 64 LEU H H 599 7.800 7.800 8.230 -0.430 18115
4176 1 10 . 1 1 65 65 GLU N N 600 122.446 122.446 120.110 2.336 18115
4177 1 10 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.015 0.151 18115
4178 1 10 . 1 1 65 65 GLU C C 600 178.550 178.550 179.206 -0.656 18115
4179 1 10 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.656 0.075 18115
4180 1 10 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.523 0.746 18115
4181 1 10 . 1 1 65 65 GLU H H 600 8.948 8.948 8.211 0.737 18115
4182 1 10 . 1 1 66 66 GLN N N 601 116.068 116.068 117.404 -1.336 18115
4183 1 10 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.077 -0.126 18115
4184 1 10 . 1 1 66 66 GLN C C 601 178.277 178.277 178.315 -0.038 18115
4185 1 10 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.119 0.407 18115
4186 1 10 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.743 -0.121 18115
4187 1 10 . 1 1 66 66 GLN H H 601 8.109 8.109 7.751 0.358 18115
4188 1 10 . 1 1 67 67 VAL N N 602 116.121 116.121 118.377 -2.256 18115
4189 1 10 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.933 -0.128 18115
4190 1 10 . 1 1 67 67 VAL C C 602 177.423 177.423 177.180 0.243 18115
4191 1 10 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.563 0.542 18115
4192 1 10 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.162 1.015 18115
4193 1 10 . 1 1 67 67 VAL H H 602 7.171 7.171 7.507 -0.336 18115
4194 1 10 . 1 1 68 68 CYS N N 603 114.504 114.504 115.626 -1.122 18115
4195 1 10 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.274 -0.276 18115
4196 1 10 . 1 1 68 68 CYS C C 603 176.503 176.503 176.489 0.014 18115
4197 1 10 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.672 2.654 18115
4198 1 10 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.148 0.517 18115
4199 1 10 . 1 1 68 68 CYS H H 603 8.138 8.138 8.144 -0.006 18115
4200 1 10 . 1 1 69 69 ASN N N 604 119.915 119.915 121.065 -1.150 18115
4201 1 10 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.493 0.081 18115
4202 1 10 . 1 1 69 69 ASN CA C 604 57.815 57.815 58.245 -0.430 18115
4203 1 10 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.701 -0.886 18115
4204 1 10 . 1 1 69 69 ASN H H 604 9.045 9.045 8.786 0.259 18115
4205 1 10 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.207 0.064 18115
4206 1 10 . 1 1 70 70 PRO C C 605 177.471 177.471 178.083 -0.612 18115
4207 1 10 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.674 -0.004 18115
4208 1 10 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.147 0.441 18115
4209 1 10 . 1 1 71 71 ILE N N 606 115.752 115.752 114.889 0.863 18115
4210 1 10 . 1 1 71 71 ILE HA H 606 3.818 3.818 3.994 -0.176 18115
4211 1 10 . 1 1 71 71 ILE C C 606 177.032 177.032 178.000 -0.968 18115
4212 1 10 . 1 1 71 71 ILE CA C 606 63.318 63.318 64.148 -0.830 18115
4213 1 10 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.083 1.541 18115
4214 1 10 . 1 1 71 71 ILE H H 606 6.851 6.851 7.396 -0.545 18115
4215 1 10 . 1 1 72 72 ILE N N 607 116.042 116.042 122.770 -6.728 18115
4216 1 10 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.756 0.250 18115
4217 1 10 . 1 1 72 72 ILE C C 607 177.236 177.236 178.507 -1.271 18115
4218 1 10 . 1 1 72 72 ILE CA C 607 61.726 61.726 64.330 -2.604 18115
4219 1 10 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.602 0.700 18115
4220 1 10 . 1 1 72 72 ILE H H 607 8.032 8.032 8.746 -0.714 18115
4221 1 10 . 1 1 73 73 SER N N 608 115.855 115.855 116.129 -0.274 18115
4222 1 10 . 1 1 73 73 SER HA H 608 4.277 4.277 4.306 -0.029 18115
4223 1 10 . 1 1 73 73 SER C C 608 175.111 175.111 175.572 -0.461 18115
4224 1 10 . 1 1 73 73 SER CA C 608 60.134 60.134 60.878 -0.744 18115
4225 1 10 . 1 1 73 73 SER CB C 608 63.480 63.480 62.888 0.592 18115
4226 1 10 . 1 1 73 73 SER H H 608 8.001 8.001 8.612 -0.611 18115
4227 1 10 . 1 1 74 74 GLY N N 609 109.991 109.991 107.625 2.366 18115
4228 1 10 . 1 1 74 74 GLY C C 609 173.508 173.508 173.973 -0.465 18115
4229 1 10 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.990 0.325 18115
4230 1 10 . 1 1 74 74 GLY H H 609 7.924 7.924 7.660 0.264 18115
4231 1 11 . 1 1 3 3 ALA N N 538 127.340 127.340 125.010 2.330 18115
4232 1 11 . 1 1 3 3 ALA HA H 538 4.107 4.107 4.045 0.062 18115
4233 1 11 . 1 1 3 3 ALA C C 538 179.658 179.658 178.749 0.909 18115
4234 1 11 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.910 -0.118 18115
4235 1 11 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.295 0.312 18115
4236 1 11 . 1 1 3 3 ALA H H 538 8.781 8.781 8.242 0.539 18115
4237 1 11 . 1 1 4 4 LYS N N 539 120.439 120.439 117.951 2.488 18115
4238 1 11 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.222 0.043 18115
4239 1 11 . 1 1 4 4 LYS C C 539 177.428 177.428 177.864 -0.436 18115
4240 1 11 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.557 1.184 18115
4241 1 11 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.515 0.727 18115
4242 1 11 . 1 1 4 4 LYS H H 539 8.006 8.006 7.775 0.231 18115
4243 1 11 . 1 1 5 5 ASN N N 540 117.109 117.109 116.474 0.635 18115
4244 1 11 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.372 0.009 18115
4245 1 11 . 1 1 5 5 ASN C C 540 177.598 177.598 177.069 0.529 18115
4246 1 11 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.397 -0.639 18115
4247 1 11 . 1 1 5 5 ASN CB C 540 38.286 38.286 38.057 0.229 18115
4248 1 11 . 1 1 5 5 ASN H H 540 7.789 7.789 8.071 -0.282 18115
4249 1 11 . 1 1 6 6 ALA N N 541 122.489 122.489 123.074 -0.585 18115
4250 1 11 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.094 0.010 18115
4251 1 11 . 1 1 6 6 ALA C C 541 180.393 180.393 179.958 0.435 18115
4252 1 11 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.203 -0.167 18115
4253 1 11 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.359 -0.204 18115
4254 1 11 . 1 1 6 6 ALA H H 541 8.209 8.209 8.500 -0.291 18115
4255 1 11 . 1 1 7 7 LEU N N 542 120.603 120.603 119.675 0.928 18115
4256 1 11 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.082 0.111 18115
4257 1 11 . 1 1 7 7 LEU C C 542 177.015 177.015 179.073 -2.058 18115
4258 1 11 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.144 -0.189 18115
4259 1 11 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.845 0.378 18115
4260 1 11 . 1 1 7 7 LEU H H 542 7.775 7.775 8.463 -0.688 18115
4261 1 11 . 1 1 8 8 GLU N N 543 119.550 119.550 120.085 -0.535 18115
4262 1 11 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.126 -0.571 18115
4263 1 11 . 1 1 8 8 GLU C C 543 177.949 177.949 179.242 -1.293 18115
4264 1 11 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.167 0.145 18115
4265 1 11 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.833 0.592 18115
4266 1 11 . 1 1 8 8 GLU H H 543 8.418 8.418 8.598 -0.180 18115
4267 1 11 . 1 1 9 9 SER N N 544 112.181 112.181 115.733 -3.552 18115
4268 1 11 . 1 1 9 9 SER HA H 544 4.192 4.192 4.252 -0.060 18115
4269 1 11 . 1 1 9 9 SER C C 544 176.285 176.285 176.611 -0.326 18115
4270 1 11 . 1 1 9 9 SER CA C 544 61.890 61.890 61.594 0.296 18115
4271 1 11 . 1 1 9 9 SER CB C 544 63.000 63.000 62.742 0.258 18115
4272 1 11 . 1 1 9 9 SER H H 544 8.313 8.313 8.657 -0.344 18115
4273 1 11 . 1 1 10 10 TYR N N 545 122.309 122.309 123.881 -1.572 18115
4274 1 11 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.171 0.218 18115
4275 1 11 . 1 1 10 10 TYR C C 545 177.193 177.193 176.956 0.237 18115
4276 1 11 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.766 -0.424 18115
4277 1 11 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.336 0.551 18115
4278 1 11 . 1 1 10 10 TYR H H 545 7.811 7.811 8.430 -0.619 18115
4279 1 11 . 1 1 11 11 ALA N N 546 120.404 120.404 122.253 -1.849 18115
4280 1 11 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.183 -0.394 18115
4281 1 11 . 1 1 11 11 ALA C C 546 179.480 179.480 179.689 -0.209 18115
4282 1 11 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.905 0.783 18115
4283 1 11 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.188 -0.562 18115
4284 1 11 . 1 1 11 11 ALA H H 546 8.456 8.456 8.792 -0.336 18115
4285 1 11 . 1 1 12 12 PHE N N 547 116.158 116.158 118.283 -2.125 18115
4286 1 11 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.085 0.060 18115
4287 1 11 . 1 1 12 12 PHE C C 547 179.133 179.133 178.137 0.996 18115
4288 1 11 . 1 1 12 12 PHE CA C 547 61.413 61.413 63.121 -1.708 18115
4289 1 11 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.856 -0.577 18115
4290 1 11 . 1 1 12 12 PHE H H 547 8.430 8.430 9.022 -0.592 18115
4291 1 11 . 1 1 13 13 ASN N N 548 120.231 120.231 118.645 1.586 18115
4292 1 11 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.463 -0.044 18115
4293 1 11 . 1 1 13 13 ASN C C 548 178.326 178.326 177.842 0.484 18115
4294 1 11 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.667 -0.715 18115
4295 1 11 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.554 -0.600 18115
4296 1 11 . 1 1 13 13 ASN H H 548 8.654 8.654 8.258 0.396 18115
4297 1 11 . 1 1 14 14 MET N N 549 121.990 121.990 118.502 3.488 18115
4298 1 11 . 1 1 14 14 MET HA H 549 4.278 4.278 4.180 0.098 18115
4299 1 11 . 1 1 14 14 MET C C 549 176.929 176.929 178.205 -1.276 18115
4300 1 11 . 1 1 14 14 MET CA C 549 57.182 57.182 57.824 -0.642 18115
4301 1 11 . 1 1 14 14 MET CB C 549 32.998 32.998 31.738 1.260 18115
4302 1 11 . 1 1 14 14 MET H H 549 8.331 8.331 8.350 -0.019 18115
4303 1 11 . 1 1 15 15 LYS N N 550 119.946 119.946 121.033 -1.087 18115
4304 1 11 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.892 -0.177 18115
4305 1 11 . 1 1 15 15 LYS C C 550 177.879 177.879 178.931 -1.052 18115
4306 1 11 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.127 -0.156 18115
4307 1 11 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.256 0.554 18115
4308 1 11 . 1 1 15 15 LYS H H 550 7.731 7.731 8.432 -0.701 18115
4309 1 11 . 1 1 16 16 SER N N 551 111.477 111.477 115.603 -4.126 18115
4310 1 11 . 1 1 16 16 SER HA H 551 4.093 4.093 4.156 -0.063 18115
4311 1 11 . 1 1 16 16 SER C C 551 177.031 177.031 176.233 0.798 18115
4312 1 11 . 1 1 16 16 SER CA C 551 61.173 61.173 61.512 -0.339 18115
4313 1 11 . 1 1 16 16 SER CB C 551 63.007 63.007 62.884 0.123 18115
4314 1 11 . 1 1 16 16 SER H H 551 7.766 7.766 8.343 -0.577 18115
4315 1 11 . 1 1 17 17 ALA N N 552 123.689 123.689 122.573 1.116 18115
4316 1 11 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.153 -0.070 18115
4317 1 11 . 1 1 17 17 ALA C C 552 180.384 180.384 179.830 0.554 18115
4318 1 11 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.711 0.577 18115
4319 1 11 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.693 -0.528 18115
4320 1 11 . 1 1 17 17 ALA H H 552 8.089 8.089 7.842 0.247 18115
4321 1 11 . 1 1 18 18 VAL N N 553 109.294 109.294 113.681 -4.387 18115
4322 1 11 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.837 0.179 18115
4323 1 11 . 1 1 18 18 VAL C C 553 176.352 176.352 177.039 -0.687 18115
4324 1 11 . 1 1 18 18 VAL CA C 553 63.758 63.758 64.952 -1.194 18115
4325 1 11 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.916 -0.264 18115
4326 1 11 . 1 1 18 18 VAL H H 553 7.560 7.560 7.664 -0.104 18115
4327 1 11 . 1 1 19 19 GLU N N 554 118.414 118.414 116.776 1.638 18115
4328 1 11 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.305 -0.090 18115
4329 1 11 . 1 1 19 19 GLU C C 554 176.794 176.794 176.142 0.652 18115
4330 1 11 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.464 0.280 18115
4331 1 11 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.547 0.612 18115
4332 1 11 . 1 1 19 19 GLU H H 554 7.389 7.389 7.704 -0.315 18115
4333 1 11 . 1 1 20 20 ASP N N 555 120.735 120.735 119.705 1.030 18115
4334 1 11 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.555 -0.188 18115
4335 1 11 . 1 1 20 20 ASP C C 555 178.171 178.171 177.135 1.036 18115
4336 1 11 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.355 1.512 18115
4337 1 11 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.502 0.372 18115
4338 1 11 . 1 1 20 20 ASP H H 555 7.224 7.224 7.213 0.011 18115
4339 1 11 . 1 1 21 21 GLU N N 556 126.927 126.927 123.472 3.455 18115
4340 1 11 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.105 -0.124 18115
4341 1 11 . 1 1 21 21 GLU C C 556 178.691 178.691 176.936 1.755 18115
4342 1 11 . 1 1 21 21 GLU CA C 556 59.144 59.144 58.103 1.041 18115
4343 1 11 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.443 0.107 18115
4344 1 11 . 1 1 21 21 GLU H H 556 9.007 9.007 8.628 0.379 18115
4345 1 11 . 1 1 22 22 GLY N N 557 108.255 108.255 107.095 1.160 18115
4346 1 11 . 1 1 22 22 GLY C C 557 175.344 175.344 174.928 0.416 18115
4347 1 11 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.011 1.397 18115
4348 1 11 . 1 1 22 22 GLY H H 557 9.031 9.031 8.337 0.694 18115
4349 1 11 . 1 1 23 23 LEU N N 558 119.463 119.463 121.268 -1.805 18115
4350 1 11 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.279 0.067 18115
4351 1 11 . 1 1 23 23 LEU C C 558 177.893 177.893 176.500 1.393 18115
4352 1 11 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.263 0.657 18115
4353 1 11 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.051 0.335 18115
4354 1 11 . 1 1 23 23 LEU H H 558 7.606 7.606 8.264 -0.658 18115
4355 1 11 . 1 1 24 24 LYS N N 559 120.994 120.994 119.607 1.387 18115
4356 1 11 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.241 -0.169 18115
4357 1 11 . 1 1 24 24 LYS C C 559 177.830 177.830 177.421 0.409 18115
4358 1 11 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.337 1.140 18115
4359 1 11 . 1 1 24 24 LYS CB C 559 32.359 32.359 32.004 0.355 18115
4360 1 11 . 1 1 24 24 LYS H H 559 7.572 7.572 7.368 0.204 18115
4361 1 11 . 1 1 25 25 GLY N N 560 111.895 111.895 115.022 -3.127 18115
4362 1 11 . 1 1 25 25 GLY C C 560 174.451 174.451 175.067 -0.616 18115
4363 1 11 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.818 -0.232 18115
4364 1 11 . 1 1 25 25 GLY H H 560 8.770 8.770 8.989 -0.219 18115
4365 1 11 . 1 1 26 26 LYS N N 561 118.925 118.925 120.603 -1.678 18115
4366 1 11 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.245 0.091 18115
4367 1 11 . 1 1 26 26 LYS C C 561 175.860 175.860 176.875 -1.015 18115
4368 1 11 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.456 -0.590 18115
4369 1 11 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.171 1.030 18115
4370 1 11 . 1 1 26 26 LYS H H 561 8.116 8.116 7.876 0.240 18115
4371 1 11 . 1 1 27 27 ILE N N 562 116.463 116.463 119.808 -3.345 18115
4372 1 11 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.260 0.238 18115
4373 1 11 . 1 1 27 27 ILE C C 562 174.838 174.838 174.079 0.759 18115
4374 1 11 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.766 -0.377 18115
4375 1 11 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.490 0.179 18115
4376 1 11 . 1 1 27 27 ILE H H 562 7.430 7.430 7.368 0.062 18115
4377 1 11 . 1 1 28 28 SER N N 563 124.501 124.501 121.612 2.889 18115
4378 1 11 . 1 1 28 28 SER HA H 563 4.404 4.404 4.567 -0.163 18115
4379 1 11 . 1 1 28 28 SER C C 563 174.870 174.870 175.365 -0.495 18115
4380 1 11 . 1 1 28 28 SER CA C 563 57.432 57.432 58.027 -0.595 18115
4381 1 11 . 1 1 28 28 SER CB C 563 64.793 64.793 64.371 0.422 18115
4382 1 11 . 1 1 28 28 SER H H 563 9.375 9.375 8.580 0.795 18115
4383 1 11 . 1 1 29 29 GLU N N 564 122.048 122.048 123.966 -1.918 18115
4384 1 11 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.943 -0.043 18115
4385 1 11 . 1 1 29 29 GLU C C 564 179.396 179.396 178.488 0.908 18115
4386 1 11 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.521 0.193 18115
4387 1 11 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.090 0.128 18115
4388 1 11 . 1 1 29 29 GLU H H 564 8.970 8.970 8.965 0.005 18115
4389 1 11 . 1 1 30 30 ALA N N 565 120.829 120.829 122.394 -1.565 18115
4390 1 11 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.049 -0.003 18115
4391 1 11 . 1 1 30 30 ALA C C 565 180.524 180.524 179.724 0.800 18115
4392 1 11 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.246 -0.208 18115
4393 1 11 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.643 0.820 18115
4394 1 11 . 1 1 30 30 ALA H H 565 8.465 8.465 8.427 0.038 18115
4395 1 11 . 1 1 31 31 ASP N N 566 121.111 121.111 118.764 2.347 18115
4396 1 11 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.296 0.143 18115
4397 1 11 . 1 1 31 31 ASP C C 566 177.738 177.738 178.520 -0.782 18115
4398 1 11 . 1 1 31 31 ASP CA C 566 57.306 57.306 58.002 -0.696 18115
4399 1 11 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.413 -0.458 18115
4400 1 11 . 1 1 31 31 ASP H H 566 7.835 7.835 7.800 0.035 18115
4401 1 11 . 1 1 32 32 LYS N N 567 121.278 121.278 121.278 0.000 18115
4402 1 11 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.857 -0.264 18115
4403 1 11 . 1 1 32 32 LYS C C 567 177.700 177.700 178.869 -1.169 18115
4404 1 11 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.834 0.719 18115
4405 1 11 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.402 0.194 18115
4406 1 11 . 1 1 32 32 LYS H H 567 8.379 8.379 8.065 0.314 18115
4407 1 11 . 1 1 33 33 LYS N N 568 117.531 117.531 118.328 -0.797 18115
4408 1 11 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.951 -0.112 18115
4409 1 11 . 1 1 33 33 LYS C C 568 177.391 177.391 179.016 -1.625 18115
4410 1 11 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.808 -0.401 18115
4411 1 11 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.491 -0.010 18115
4412 1 11 . 1 1 33 33 LYS H H 568 7.846 7.846 8.350 -0.504 18115
4413 1 11 . 1 1 34 34 LYS N N 569 118.376 118.376 119.679 -1.303 18115
4414 1 11 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.069 -0.070 18115
4415 1 11 . 1 1 34 34 LYS C C 569 180.064 180.064 178.936 1.128 18115
4416 1 11 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.302 0.651 18115
4417 1 11 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.274 0.580 18115
4418 1 11 . 1 1 34 34 LYS H H 569 7.647 7.647 8.124 -0.477 18115
4419 1 11 . 1 1 35 35 VAL N N 570 118.353 118.353 121.062 -2.709 18115
4420 1 11 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.751 -0.277 18115
4421 1 11 . 1 1 35 35 VAL C C 570 178.019 178.019 177.495 0.524 18115
4422 1 11 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.855 1.097 18115
4423 1 11 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.068 0.465 18115
4424 1 11 . 1 1 35 35 VAL H H 570 7.638 7.638 8.072 -0.434 18115
4425 1 11 . 1 1 36 36 LEU N N 571 120.671 120.671 121.456 -0.785 18115
4426 1 11 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.847 -0.057 18115
4427 1 11 . 1 1 36 36 LEU C C 571 180.444 180.444 178.912 1.532 18115
4428 1 11 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.781 0.132 18115
4429 1 11 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.325 -0.117 18115
4430 1 11 . 1 1 36 36 LEU H H 571 8.693 8.693 8.389 0.304 18115
4431 1 11 . 1 1 37 37 ASP N N 572 120.071 120.071 119.040 1.031 18115
4432 1 11 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.277 0.042 18115
4433 1 11 . 1 1 37 37 ASP C C 572 179.345 179.345 178.552 0.793 18115
4434 1 11 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.715 -0.432 18115
4435 1 11 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.827 -1.151 18115
4436 1 11 . 1 1 37 37 ASP H H 572 9.265 9.265 8.236 1.029 18115
4437 1 11 . 1 1 38 38 LYS N N 573 121.858 121.858 120.275 1.583 18115
4438 1 11 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.113 0.147 18115
4439 1 11 . 1 1 38 38 LYS C C 573 178.856 178.856 178.796 0.060 18115
4440 1 11 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.732 -1.671 18115
4441 1 11 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.902 -0.916 18115
4442 1 11 . 1 1 38 38 LYS H H 573 7.674 7.674 8.061 -0.387 18115
4443 1 11 . 1 1 39 39 CYS N N 574 117.635 117.635 118.634 -0.999 18115
4444 1 11 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.119 -0.256 18115
4445 1 11 . 1 1 39 39 CYS C C 574 176.479 176.479 177.017 -0.538 18115
4446 1 11 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.211 1.359 18115
4447 1 11 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.991 -0.311 18115
4448 1 11 . 1 1 39 39 CYS H H 574 8.818 8.818 8.701 0.117 18115
4449 1 11 . 1 1 40 40 GLN N N 575 118.089 118.089 118.977 -0.888 18115
4450 1 11 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.006 -0.047 18115
4451 1 11 . 1 1 40 40 GLN C C 575 178.023 178.023 178.489 -0.466 18115
4452 1 11 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.836 -0.167 18115
4453 1 11 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.131 -0.041 18115
4454 1 11 . 1 1 40 40 GLN H H 575 8.203 8.203 8.514 -0.311 18115
4455 1 11 . 1 1 41 41 GLU N N 576 121.535 121.535 121.376 0.159 18115
4456 1 11 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.069 -0.077 18115
4457 1 11 . 1 1 41 41 GLU C C 576 179.586 179.586 179.164 0.422 18115
4458 1 11 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.746 0.143 18115
4459 1 11 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.618 0.395 18115
4460 1 11 . 1 1 41 41 GLU H H 576 8.074 8.074 7.966 0.108 18115
4461 1 11 . 1 1 42 42 VAL N N 577 120.038 120.038 120.165 -0.127 18115
4462 1 11 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.841 -0.130 18115
4463 1 11 . 1 1 42 42 VAL C C 577 177.102 177.102 177.916 -0.814 18115
4464 1 11 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.662 1.458 18115
4465 1 11 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.944 -0.412 18115
4466 1 11 . 1 1 42 42 VAL H H 577 8.144 8.144 7.927 0.217 18115
4467 1 11 . 1 1 43 43 ILE N N 578 122.306 122.306 120.427 1.879 18115
4468 1 11 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.726 -0.029 18115
4469 1 11 . 1 1 43 43 ILE C C 578 178.491 178.491 177.936 0.555 18115
4470 1 11 . 1 1 43 43 ILE CA C 578 65.618 65.618 65.964 -0.346 18115
4471 1 11 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.701 -0.014 18115
4472 1 11 . 1 1 43 43 ILE H H 578 8.504 8.504 8.552 -0.048 18115
4473 1 11 . 1 1 44 44 SER N N 579 115.928 115.928 115.552 0.376 18115
4474 1 11 . 1 1 44 44 SER HA H 579 4.265 4.265 4.277 -0.012 18115
4475 1 11 . 1 1 44 44 SER C C 579 177.129 177.129 176.757 0.372 18115
4476 1 11 . 1 1 44 44 SER CA C 579 62.208 62.208 61.449 0.759 18115
4477 1 11 . 1 1 44 44 SER CB C 579 62.906 62.906 62.972 -0.066 18115
4478 1 11 . 1 1 44 44 SER H H 579 8.562 8.562 8.460 0.102 18115
4479 1 11 . 1 1 45 45 TRP N N 580 124.917 124.917 125.837 -0.920 18115
4480 1 11 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.478 -0.437 18115
4481 1 11 . 1 1 45 45 TRP C C 580 179.278 179.278 177.785 1.493 18115
4482 1 11 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.738 0.767 18115
4483 1 11 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.653 -1.135 18115
4484 1 11 . 1 1 45 45 TRP H H 580 8.406 8.406 7.893 0.513 18115
4485 1 11 . 1 1 46 46 LEU N N 581 122.211 122.211 119.593 2.618 18115
4486 1 11 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.840 -0.184 18115
4487 1 11 . 1 1 46 46 LEU C C 581 179.119 179.119 178.540 0.579 18115
4488 1 11 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.122 0.312 18115
4489 1 11 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.761 0.778 18115
4490 1 11 . 1 1 46 46 LEU H H 581 9.012 9.012 8.734 0.278 18115
4491 1 11 . 1 1 47 47 ASP N N 582 117.724 117.724 116.996 0.728 18115
4492 1 11 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.307 -0.029 18115
4493 1 11 . 1 1 47 47 ASP C C 582 177.154 177.154 177.725 -0.571 18115
4494 1 11 . 1 1 47 47 ASP CA C 582 56.794 56.794 57.085 -0.291 18115
4495 1 11 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.249 -0.060 18115
4496 1 11 . 1 1 47 47 ASP H H 582 7.665 7.665 7.825 -0.160 18115
4497 1 11 . 1 1 48 48 ALA N N 583 118.604 118.604 119.302 -0.698 18115
4498 1 11 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.191 0.097 18115
4499 1 11 . 1 1 48 48 ALA C C 583 177.776 177.776 177.858 -0.082 18115
4500 1 11 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.730 -1.377 18115
4501 1 11 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.195 0.698 18115
4502 1 11 . 1 1 48 48 ALA H H 583 7.129 7.129 7.191 -0.062 18115
4503 1 11 . 1 1 49 49 ASN N N 584 118.883 118.883 116.501 2.382 18115
4504 1 11 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.865 -0.194 18115
4505 1 11 . 1 1 49 49 ASN C C 584 174.761 174.761 175.441 -0.680 18115
4506 1 11 . 1 1 49 49 ASN CA C 584 52.848 52.848 51.577 1.271 18115
4507 1 11 . 1 1 49 49 ASN CB C 584 37.968 37.968 37.707 0.261 18115
4508 1 11 . 1 1 49 49 ASN H H 584 7.284 7.284 7.886 -0.602 18115
4509 1 11 . 1 1 50 50 THR N N 585 112.258 112.258 113.527 -1.269 18115
4510 1 11 . 1 1 50 50 THR HA H 585 3.967 3.967 4.248 -0.281 18115
4511 1 11 . 1 1 50 50 THR C C 585 175.787 175.787 175.257 0.530 18115
4512 1 11 . 1 1 50 50 THR CA C 585 65.175 65.175 63.952 1.223 18115
4513 1 11 . 1 1 50 50 THR CB C 585 69.336 69.336 68.918 0.418 18115
4514 1 11 . 1 1 50 50 THR H H 585 7.615 7.615 8.059 -0.444 18115
4515 1 11 . 1 1 51 51 LEU N N 586 120.550 120.550 119.874 0.676 18115
4516 1 11 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.544 -0.001 18115
4517 1 11 . 1 1 51 51 LEU C C 586 176.635 176.635 176.997 -0.362 18115
4518 1 11 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.976 -0.015 18115
4519 1 11 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.476 0.596 18115
4520 1 11 . 1 1 51 51 LEU H H 586 8.254 8.254 7.678 0.576 18115
4521 1 11 . 1 1 52 52 ALA N N 587 123.048 123.048 123.490 -0.442 18115
4522 1 11 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.169 -0.093 18115
4523 1 11 . 1 1 52 52 ALA C C 587 176.356 176.356 177.155 -0.799 18115
4524 1 11 . 1 1 52 52 ALA CA C 587 52.596 52.596 51.966 0.630 18115
4525 1 11 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.391 0.040 18115
4526 1 11 . 1 1 52 52 ALA H H 587 7.124 7.124 7.217 -0.093 18115
4527 1 11 . 1 1 53 53 GLU N N 588 118.471 118.471 120.193 -1.722 18115
4528 1 11 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.496 -0.136 18115
4529 1 11 . 1 1 53 53 GLU C C 588 177.945 177.945 178.292 -0.347 18115
4530 1 11 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.693 0.044 18115
4531 1 11 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.950 0.249 18115
4532 1 11 . 1 1 53 53 GLU H H 588 8.429 8.429 8.310 0.119 18115
4533 1 11 . 1 1 54 54 LYS N N 589 121.635 121.635 121.425 0.210 18115
4534 1 11 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.265 -0.115 18115
4535 1 11 . 1 1 54 54 LYS C C 589 178.445 178.445 178.051 0.394 18115
4536 1 11 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.152 0.555 18115
4537 1 11 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.061 0.729 18115
4538 1 11 . 1 1 54 54 LYS H H 589 8.763 8.763 8.843 -0.080 18115
4539 1 11 . 1 1 55 55 ASP N N 590 116.537 116.537 117.645 -1.108 18115
4540 1 11 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.597 -0.277 18115
4541 1 11 . 1 1 55 55 ASP C C 590 178.649 178.649 178.532 0.117 18115
4542 1 11 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.106 -0.094 18115
4543 1 11 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.893 0.196 18115
4544 1 11 . 1 1 55 55 ASP H H 590 8.814 8.814 8.862 -0.048 18115
4545 1 11 . 1 1 56 56 GLU N N 591 119.611 119.611 120.090 -0.479 18115
4546 1 11 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.111 -0.046 18115
4547 1 11 . 1 1 56 56 GLU C C 591 179.582 179.582 178.996 0.586 18115
4548 1 11 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.105 0.408 18115
4549 1 11 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.104 0.709 18115
4550 1 11 . 1 1 56 56 GLU H H 591 7.785 7.785 7.895 -0.110 18115
4551 1 11 . 1 1 57 57 PHE N N 592 117.509 117.509 119.117 -1.608 18115
4552 1 11 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.482 -0.257 18115
4553 1 11 . 1 1 57 57 PHE C C 592 178.436 178.436 178.114 0.322 18115
4554 1 11 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.612 -0.001 18115
4555 1 11 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.723 0.111 18115
4556 1 11 . 1 1 57 57 PHE H H 592 7.443 7.443 7.525 -0.082 18115
4557 1 11 . 1 1 58 58 GLU N N 593 118.501 118.501 119.736 -1.235 18115
4558 1 11 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.900 0.234 18115
4559 1 11 . 1 1 58 58 GLU C C 593 178.855 178.855 178.770 0.085 18115
4560 1 11 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.797 -0.813 18115
4561 1 11 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.370 -0.303 18115
4562 1 11 . 1 1 58 58 GLU H H 593 7.952 7.952 8.960 -1.008 18115
4563 1 11 . 1 1 59 59 HIS N N 594 118.563 118.563 118.798 -0.235 18115
4564 1 11 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.341 -0.128 18115
4565 1 11 . 1 1 59 59 HIS C C 594 177.856 177.856 177.306 0.550 18115
4566 1 11 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.115 0.153 18115
4567 1 11 . 1 1 59 59 HIS CB C 594 29.037 29.037 30.278 -1.241 18115
4568 1 11 . 1 1 59 59 HIS H H 594 8.126 8.126 8.392 -0.266 18115
4569 1 11 . 1 1 60 60 LYS N N 595 119.034 119.034 119.845 -0.811 18115
4570 1 11 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.850 -0.156 18115
4571 1 11 . 1 1 60 60 LYS C C 595 178.057 178.057 178.690 -0.633 18115
4572 1 11 . 1 1 60 60 LYS CA C 595 57.147 57.147 57.925 -0.778 18115
4573 1 11 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.658 -0.881 18115
4574 1 11 . 1 1 60 60 LYS H H 595 7.733 7.733 7.697 0.036 18115
4575 1 11 . 1 1 61 61 ARG N N 596 120.071 120.071 119.621 0.450 18115
4576 1 11 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.684 -0.036 18115
4577 1 11 . 1 1 61 61 ARG C C 596 177.921 177.921 177.985 -0.064 18115
4578 1 11 . 1 1 61 61 ARG CA C 596 60.178 60.178 60.042 0.136 18115
4579 1 11 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.998 -0.193 18115
4580 1 11 . 1 1 61 61 ARG H H 596 8.167 8.167 8.585 -0.418 18115
4581 1 11 . 1 1 62 62 LYS N N 597 118.731 118.731 118.386 0.345 18115
4582 1 11 . 1 1 62 62 LYS HA H 597 3.886 3.886 3.983 -0.097 18115
4583 1 11 . 1 1 62 62 LYS C C 597 178.963 178.963 179.293 -0.330 18115
4584 1 11 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.828 0.409 18115
4585 1 11 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.364 0.535 18115
4586 1 11 . 1 1 62 62 LYS H H 597 7.948 7.948 7.580 0.368 18115
4587 1 11 . 1 1 63 63 GLU N N 598 118.881 118.881 119.760 -0.879 18115
4588 1 11 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.897 -0.021 18115
4589 1 11 . 1 1 63 63 GLU C C 598 179.408 179.408 179.029 0.379 18115
4590 1 11 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.075 0.310 18115
4591 1 11 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.484 0.919 18115
4592 1 11 . 1 1 63 63 GLU H H 598 7.794 7.794 7.501 0.293 18115
4593 1 11 . 1 1 64 64 LEU N N 599 119.904 119.904 120.168 -0.264 18115
4594 1 11 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.996 0.074 18115
4595 1 11 . 1 1 64 64 LEU C C 599 178.814 178.814 179.337 -0.523 18115
4596 1 11 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.880 0.116 18115
4597 1 11 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.386 0.634 18115
4598 1 11 . 1 1 64 64 LEU H H 599 7.800 7.800 8.350 -0.550 18115
4599 1 11 . 1 1 65 65 GLU N N 600 122.446 122.446 120.354 2.092 18115
4600 1 11 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.053 0.113 18115
4601 1 11 . 1 1 65 65 GLU C C 600 178.550 178.550 179.114 -0.564 18115
4602 1 11 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.772 -0.041 18115
4603 1 11 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.435 0.834 18115
4604 1 11 . 1 1 65 65 GLU H H 600 8.948 8.948 8.744 0.204 18115
4605 1 11 . 1 1 66 66 GLN N N 601 116.068 116.068 117.625 -1.557 18115
4606 1 11 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.077 -0.126 18115
4607 1 11 . 1 1 66 66 GLN C C 601 178.277 178.277 178.428 -0.151 18115
4608 1 11 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.300 0.226 18115
4609 1 11 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.736 -0.114 18115
4610 1 11 . 1 1 66 66 GLN H H 601 8.109 8.109 7.598 0.511 18115
4611 1 11 . 1 1 67 67 VAL N N 602 116.121 116.121 119.037 -2.916 18115
4612 1 11 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.932 -0.127 18115
4613 1 11 . 1 1 67 67 VAL C C 602 177.423 177.423 177.337 0.086 18115
4614 1 11 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.661 0.444 18115
4615 1 11 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.081 1.096 18115
4616 1 11 . 1 1 67 67 VAL H H 602 7.171 7.171 7.577 -0.406 18115
4617 1 11 . 1 1 68 68 CYS N N 603 114.504 114.504 116.109 -1.605 18115
4618 1 11 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.309 -0.311 18115
4619 1 11 . 1 1 68 68 CYS C C 603 176.503 176.503 176.523 -0.020 18115
4620 1 11 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.479 2.846 18115
4621 1 11 . 1 1 68 68 CYS CB C 603 28.665 28.665 27.030 1.635 18115
4622 1 11 . 1 1 68 68 CYS H H 603 8.138 8.138 8.187 -0.049 18115
4623 1 11 . 1 1 69 69 ASN N N 604 119.915 119.915 121.868 -1.953 18115
4624 1 11 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.503 0.071 18115
4625 1 11 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.728 0.087 18115
4626 1 11 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.472 -0.657 18115
4627 1 11 . 1 1 69 69 ASN H H 604 9.045 9.045 8.826 0.219 18115
4628 1 11 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.249 0.022 18115
4629 1 11 . 1 1 70 70 PRO C C 605 177.471 177.471 178.569 -1.098 18115
4630 1 11 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.694 -0.024 18115
4631 1 11 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.250 0.338 18115
4632 1 11 . 1 1 71 71 ILE N N 606 115.752 115.752 115.690 0.062 18115
4633 1 11 . 1 1 71 71 ILE HA H 606 3.818 3.818 3.971 -0.153 18115
4634 1 11 . 1 1 71 71 ILE C C 606 177.032 177.032 177.961 -0.929 18115
4635 1 11 . 1 1 71 71 ILE CA C 606 63.318 63.318 64.339 -1.021 18115
4636 1 11 . 1 1 71 71 ILE CB C 606 39.624 39.624 37.966 1.658 18115
4637 1 11 . 1 1 71 71 ILE H H 606 6.851 6.851 7.340 -0.489 18115
4638 1 11 . 1 1 72 72 ILE N N 607 116.042 116.042 121.830 -5.788 18115
4639 1 11 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.770 0.236 18115
4640 1 11 . 1 1 72 72 ILE C C 607 177.236 177.236 178.604 -1.368 18115
4641 1 11 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.997 -2.271 18115
4642 1 11 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.350 0.952 18115
4643 1 11 . 1 1 72 72 ILE H H 607 8.032 8.032 8.755 -0.723 18115
4644 1 11 . 1 1 73 73 SER N N 608 115.855 115.855 116.318 -0.463 18115
4645 1 11 . 1 1 73 73 SER HA H 608 4.277 4.277 4.269 0.008 18115
4646 1 11 . 1 1 73 73 SER C C 608 175.111 175.111 175.690 -0.579 18115
4647 1 11 . 1 1 73 73 SER CA C 608 60.134 60.134 61.015 -0.881 18115
4648 1 11 . 1 1 73 73 SER CB C 608 63.480 63.480 63.116 0.364 18115
4649 1 11 . 1 1 73 73 SER H H 608 8.001 8.001 8.720 -0.719 18115
4650 1 11 . 1 1 74 74 GLY N N 609 109.991 109.991 108.447 1.544 18115
4651 1 11 . 1 1 74 74 GLY C C 609 173.508 173.508 173.936 -0.428 18115
4652 1 11 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.724 0.591 18115
4653 1 11 . 1 1 74 74 GLY H H 609 7.924 7.924 7.649 0.275 18115
4654 1 12 . 1 1 3 3 ALA N N 538 127.340 127.340 124.502 2.838 18115
4655 1 12 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.974 0.133 18115
4656 1 12 . 1 1 3 3 ALA C C 538 179.658 179.658 178.520 1.138 18115
4657 1 12 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.666 0.125 18115
4658 1 12 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.892 -0.284 18115
4659 1 12 . 1 1 3 3 ALA H H 538 8.781 8.781 7.996 0.785 18115
4660 1 12 . 1 1 4 4 LYS N N 539 120.439 120.439 118.147 2.292 18115
4661 1 12 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.551 -0.286 18115
4662 1 12 . 1 1 4 4 LYS C C 539 177.428 177.428 177.876 -0.448 18115
4663 1 12 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.826 0.915 18115
4664 1 12 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.264 0.978 18115
4665 1 12 . 1 1 4 4 LYS H H 539 8.006 8.006 7.889 0.117 18115
4666 1 12 . 1 1 5 5 ASN N N 540 117.109 117.109 116.464 0.645 18115
4667 1 12 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.406 -0.025 18115
4668 1 12 . 1 1 5 5 ASN C C 540 177.598 177.598 177.506 0.092 18115
4669 1 12 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.149 -0.391 18115
4670 1 12 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.563 0.723 18115
4671 1 12 . 1 1 5 5 ASN H H 540 7.789 7.789 8.238 -0.449 18115
4672 1 12 . 1 1 6 6 ALA N N 541 122.489 122.489 123.525 -1.036 18115
4673 1 12 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.163 -0.059 18115
4674 1 12 . 1 1 6 6 ALA C C 541 180.393 180.393 179.926 0.467 18115
4675 1 12 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.102 -0.066 18115
4676 1 12 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.447 -0.292 18115
4677 1 12 . 1 1 6 6 ALA H H 541 8.209 8.209 7.944 0.265 18115
4678 1 12 . 1 1 7 7 LEU N N 542 120.603 120.603 119.907 0.696 18115
4679 1 12 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.101 0.092 18115
4680 1 12 . 1 1 7 7 LEU C C 542 177.015 177.015 179.116 -2.101 18115
4681 1 12 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.220 -0.265 18115
4682 1 12 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.910 0.313 18115
4683 1 12 . 1 1 7 7 LEU H H 542 7.775 7.775 8.365 -0.590 18115
4684 1 12 . 1 1 8 8 GLU N N 543 119.550 119.550 119.933 -0.383 18115
4685 1 12 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.138 -0.583 18115
4686 1 12 . 1 1 8 8 GLU C C 543 177.949 177.949 179.216 -1.267 18115
4687 1 12 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.203 0.109 18115
4688 1 12 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.848 0.577 18115
4689 1 12 . 1 1 8 8 GLU H H 543 8.418 8.418 8.852 -0.434 18115
4690 1 12 . 1 1 9 9 SER N N 544 112.181 112.181 116.462 -4.281 18115
4691 1 12 . 1 1 9 9 SER HA H 544 4.192 4.192 4.228 -0.036 18115
4692 1 12 . 1 1 9 9 SER C C 544 176.285 176.285 176.649 -0.364 18115
4693 1 12 . 1 1 9 9 SER CA C 544 61.890 61.890 62.276 -0.386 18115
4694 1 12 . 1 1 9 9 SER CB C 544 63.000 63.000 63.101 -0.101 18115
4695 1 12 . 1 1 9 9 SER H H 544 8.313 8.313 8.207 0.106 18115
4696 1 12 . 1 1 10 10 TYR N N 545 122.309 122.309 123.463 -1.154 18115
4697 1 12 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.145 0.244 18115
4698 1 12 . 1 1 10 10 TYR C C 545 177.193 177.193 177.080 0.113 18115
4699 1 12 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.457 -0.115 18115
4700 1 12 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.335 0.552 18115
4701 1 12 . 1 1 10 10 TYR H H 545 7.811 7.811 8.329 -0.518 18115
4702 1 12 . 1 1 11 11 ALA N N 546 120.404 120.404 121.957 -1.553 18115
4703 1 12 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.182 -0.393 18115
4704 1 12 . 1 1 11 11 ALA C C 546 179.480 179.480 180.121 -0.641 18115
4705 1 12 . 1 1 11 11 ALA CA C 546 55.688 55.688 55.165 0.523 18115
4706 1 12 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.353 -0.727 18115
4707 1 12 . 1 1 11 11 ALA H H 546 8.456 8.456 8.898 -0.442 18115
4708 1 12 . 1 1 12 12 PHE N N 547 116.158 116.158 120.589 -4.431 18115
4709 1 12 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.186 -0.041 18115
4710 1 12 . 1 1 12 12 PHE C C 547 179.133 179.133 177.755 1.378 18115
4711 1 12 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.222 -0.810 18115
4712 1 12 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.794 -0.514 18115
4713 1 12 . 1 1 12 12 PHE H H 547 8.430 8.430 8.915 -0.485 18115
4714 1 12 . 1 1 13 13 ASN N N 548 120.231 120.231 118.342 1.889 18115
4715 1 12 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.461 -0.042 18115
4716 1 12 . 1 1 13 13 ASN C C 548 178.326 178.326 178.012 0.314 18115
4717 1 12 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.401 -0.449 18115
4718 1 12 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.197 -0.243 18115
4719 1 12 . 1 1 13 13 ASN H H 548 8.654 8.654 8.645 0.009 18115
4720 1 12 . 1 1 14 14 MET N N 549 121.990 121.990 118.514 3.476 18115
4721 1 12 . 1 1 14 14 MET HA H 549 4.278 4.278 4.226 0.052 18115
4722 1 12 . 1 1 14 14 MET C C 549 176.929 176.929 178.226 -1.297 18115
4723 1 12 . 1 1 14 14 MET CA C 549 57.182 57.182 57.679 -0.497 18115
4724 1 12 . 1 1 14 14 MET CB C 549 32.998 32.998 31.853 1.145 18115
4725 1 12 . 1 1 14 14 MET H H 549 8.331 8.331 8.196 0.135 18115
4726 1 12 . 1 1 15 15 LYS N N 550 119.946 119.946 121.418 -1.472 18115
4727 1 12 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.894 -0.179 18115
4728 1 12 . 1 1 15 15 LYS C C 550 177.879 177.879 179.025 -1.146 18115
4729 1 12 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.007 -0.036 18115
4730 1 12 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.258 0.552 18115
4731 1 12 . 1 1 15 15 LYS H H 550 7.731 7.731 8.480 -0.749 18115
4732 1 12 . 1 1 16 16 SER N N 551 111.477 111.477 115.238 -3.761 18115
4733 1 12 . 1 1 16 16 SER HA H 551 4.093 4.093 4.168 -0.075 18115
4734 1 12 . 1 1 16 16 SER C C 551 177.031 177.031 176.154 0.877 18115
4735 1 12 . 1 1 16 16 SER CA C 551 61.173 61.173 61.429 -0.257 18115
4736 1 12 . 1 1 16 16 SER CB C 551 63.007 63.007 63.097 -0.090 18115
4737 1 12 . 1 1 16 16 SER H H 551 7.766 7.766 8.524 -0.758 18115
4738 1 12 . 1 1 17 17 ALA N N 552 123.689 123.689 122.599 1.090 18115
4739 1 12 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.178 -0.095 18115
4740 1 12 . 1 1 17 17 ALA C C 552 180.384 180.384 180.011 0.373 18115
4741 1 12 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.689 0.599 18115
4742 1 12 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.833 -0.668 18115
4743 1 12 . 1 1 17 17 ALA H H 552 8.089 8.089 7.737 0.352 18115
4744 1 12 . 1 1 18 18 VAL N N 553 109.294 109.294 113.792 -4.498 18115
4745 1 12 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.822 0.194 18115
4746 1 12 . 1 1 18 18 VAL C C 553 176.352 176.352 177.465 -1.113 18115
4747 1 12 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.103 -1.345 18115
4748 1 12 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.925 -0.273 18115
4749 1 12 . 1 1 18 18 VAL H H 553 7.560 7.560 7.669 -0.109 18115
4750 1 12 . 1 1 19 19 GLU N N 554 118.414 118.414 117.218 1.196 18115
4751 1 12 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.265 -0.050 18115
4752 1 12 . 1 1 19 19 GLU C C 554 176.794 176.794 175.992 0.802 18115
4753 1 12 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.206 0.538 18115
4754 1 12 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.659 0.500 18115
4755 1 12 . 1 1 19 19 GLU H H 554 7.389 7.389 7.727 -0.338 18115
4756 1 12 . 1 1 20 20 ASP N N 555 120.735 120.735 120.361 0.374 18115
4757 1 12 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.560 -0.193 18115
4758 1 12 . 1 1 20 20 ASP C C 555 178.171 178.171 177.060 1.111 18115
4759 1 12 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.303 1.565 18115
4760 1 12 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.356 0.518 18115
4761 1 12 . 1 1 20 20 ASP H H 555 7.224 7.224 7.237 -0.013 18115
4762 1 12 . 1 1 21 21 GLU N N 556 126.927 126.927 124.238 2.689 18115
4763 1 12 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.149 -0.168 18115
4764 1 12 . 1 1 21 21 GLU C C 556 178.691 178.691 178.429 0.262 18115
4765 1 12 . 1 1 21 21 GLU CA C 556 59.144 59.144 58.658 0.486 18115
4766 1 12 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.594 -0.044 18115
4767 1 12 . 1 1 21 21 GLU H H 556 9.007 9.007 8.856 0.151 18115
4768 1 12 . 1 1 22 22 GLY N N 557 108.255 108.255 107.632 0.623 18115
4769 1 12 . 1 1 22 22 GLY C C 557 175.344 175.344 175.276 0.068 18115
4770 1 12 . 1 1 22 22 GLY CA C 557 46.408 46.408 46.104 0.304 18115
4771 1 12 . 1 1 22 22 GLY H H 557 9.031 9.031 8.400 0.631 18115
4772 1 12 . 1 1 23 23 LEU N N 558 119.463 119.463 121.321 -1.858 18115
4773 1 12 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.412 -0.066 18115
4774 1 12 . 1 1 23 23 LEU C C 558 177.893 177.893 176.004 1.889 18115
4775 1 12 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.347 0.573 18115
4776 1 12 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.444 -0.058 18115
4777 1 12 . 1 1 23 23 LEU H H 558 7.606 7.606 7.894 -0.287 18115
4778 1 12 . 1 1 24 24 LYS N N 559 120.994 120.994 119.110 1.884 18115
4779 1 12 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.109 -0.037 18115
4780 1 12 . 1 1 24 24 LYS C C 559 177.830 177.830 177.282 0.548 18115
4781 1 12 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.705 0.772 18115
4782 1 12 . 1 1 24 24 LYS CB C 559 32.359 32.359 32.156 0.203 18115
4783 1 12 . 1 1 24 24 LYS H H 559 7.572 7.572 7.292 0.280 18115
4784 1 12 . 1 1 25 25 GLY N N 560 111.895 111.895 115.100 -3.205 18115
4785 1 12 . 1 1 25 25 GLY C C 560 174.451 174.451 175.344 -0.893 18115
4786 1 12 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.665 -0.079 18115
4787 1 12 . 1 1 25 25 GLY H H 560 8.770 8.770 8.802 -0.032 18115
4788 1 12 . 1 1 26 26 LYS N N 561 118.925 118.925 120.590 -1.665 18115
4789 1 12 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.213 0.123 18115
4790 1 12 . 1 1 26 26 LYS C C 561 175.860 175.860 177.063 -1.203 18115
4791 1 12 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.759 -0.893 18115
4792 1 12 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.167 1.034 18115
4793 1 12 . 1 1 26 26 LYS H H 561 8.116 8.116 7.690 0.426 18115
4794 1 12 . 1 1 27 27 ILE N N 562 116.463 116.463 119.395 -2.932 18115
4795 1 12 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.237 0.261 18115
4796 1 12 . 1 1 27 27 ILE C C 562 174.838 174.838 174.175 0.663 18115
4797 1 12 . 1 1 27 27 ILE CA C 562 59.388 59.388 60.058 -0.670 18115
4798 1 12 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.580 0.089 18115
4799 1 12 . 1 1 27 27 ILE H H 562 7.430 7.430 7.369 0.061 18115
4800 1 12 . 1 1 28 28 SER N N 563 124.501 124.501 121.894 2.607 18115
4801 1 12 . 1 1 28 28 SER HA H 563 4.404 4.404 4.554 -0.150 18115
4802 1 12 . 1 1 28 28 SER C C 563 174.870 174.870 175.534 -0.664 18115
4803 1 12 . 1 1 28 28 SER CA C 563 57.432 57.432 58.012 -0.580 18115
4804 1 12 . 1 1 28 28 SER CB C 563 64.793 64.793 64.141 0.652 18115
4805 1 12 . 1 1 28 28 SER H H 563 9.375 9.375 8.540 0.835 18115
4806 1 12 . 1 1 29 29 GLU N N 564 122.048 122.048 124.384 -2.336 18115
4807 1 12 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.941 -0.041 18115
4808 1 12 . 1 1 29 29 GLU C C 564 179.396 179.396 178.500 0.896 18115
4809 1 12 . 1 1 29 29 GLU CA C 564 59.714 59.714 60.278 -0.564 18115
4810 1 12 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.275 -0.057 18115
4811 1 12 . 1 1 29 29 GLU H H 564 8.970 8.970 9.034 -0.064 18115
4812 1 12 . 1 1 30 30 ALA N N 565 120.829 120.829 122.161 -1.332 18115
4813 1 12 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.073 -0.027 18115
4814 1 12 . 1 1 30 30 ALA C C 565 180.524 180.524 179.706 0.818 18115
4815 1 12 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.429 -0.391 18115
4816 1 12 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.830 0.633 18115
4817 1 12 . 1 1 30 30 ALA H H 565 8.465 8.465 8.467 -0.002 18115
4818 1 12 . 1 1 31 31 ASP N N 566 121.111 121.111 118.864 2.247 18115
4819 1 12 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.314 0.125 18115
4820 1 12 . 1 1 31 31 ASP C C 566 177.738 177.738 178.540 -0.802 18115
4821 1 12 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.776 -0.470 18115
4822 1 12 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.342 -0.387 18115
4823 1 12 . 1 1 31 31 ASP H H 566 7.835 7.835 7.732 0.103 18115
4824 1 12 . 1 1 32 32 LYS N N 567 121.278 121.278 121.361 -0.083 18115
4825 1 12 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.851 -0.258 18115
4826 1 12 . 1 1 32 32 LYS C C 567 177.700 177.700 178.930 -1.230 18115
4827 1 12 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.790 0.763 18115
4828 1 12 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.417 0.179 18115
4829 1 12 . 1 1 32 32 LYS H H 567 8.379 8.379 8.235 0.144 18115
4830 1 12 . 1 1 33 33 LYS N N 568 117.531 117.531 118.407 -0.876 18115
4831 1 12 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.945 -0.106 18115
4832 1 12 . 1 1 33 33 LYS C C 568 177.391 177.391 178.898 -1.507 18115
4833 1 12 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.848 -0.441 18115
4834 1 12 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.502 -0.021 18115
4835 1 12 . 1 1 33 33 LYS H H 568 7.846 7.846 8.543 -0.697 18115
4836 1 12 . 1 1 34 34 LYS N N 569 118.376 118.376 119.226 -0.850 18115
4837 1 12 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.053 -0.054 18115
4838 1 12 . 1 1 34 34 LYS C C 569 180.064 180.064 178.923 1.141 18115
4839 1 12 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.486 0.467 18115
4840 1 12 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.047 0.807 18115
4841 1 12 . 1 1 34 34 LYS H H 569 7.647 7.647 8.037 -0.390 18115
4842 1 12 . 1 1 35 35 VAL N N 570 118.353 118.353 120.877 -2.524 18115
4843 1 12 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.773 -0.299 18115
4844 1 12 . 1 1 35 35 VAL C C 570 178.019 178.019 177.568 0.451 18115
4845 1 12 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.790 1.162 18115
4846 1 12 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.081 0.452 18115
4847 1 12 . 1 1 35 35 VAL H H 570 7.638 7.638 7.929 -0.291 18115
4848 1 12 . 1 1 36 36 LEU N N 571 120.671 120.671 121.574 -0.903 18115
4849 1 12 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.845 -0.055 18115
4850 1 12 . 1 1 36 36 LEU C C 571 180.444 180.444 178.900 1.544 18115
4851 1 12 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.772 0.141 18115
4852 1 12 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.279 -0.071 18115
4853 1 12 . 1 1 36 36 LEU H H 571 8.693 8.693 8.417 0.276 18115
4854 1 12 . 1 1 37 37 ASP N N 572 120.071 120.071 119.206 0.865 18115
4855 1 12 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.294 0.025 18115
4856 1 12 . 1 1 37 37 ASP C C 572 179.345 179.345 178.553 0.792 18115
4857 1 12 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.654 -0.371 18115
4858 1 12 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.766 -1.090 18115
4859 1 12 . 1 1 37 37 ASP H H 572 9.265 9.265 8.489 0.776 18115
4860 1 12 . 1 1 38 38 LYS N N 573 121.858 121.858 120.455 1.403 18115
4861 1 12 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.110 0.150 18115
4862 1 12 . 1 1 38 38 LYS C C 573 178.856 178.856 178.530 0.326 18115
4863 1 12 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.608 -1.547 18115
4864 1 12 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.928 -0.942 18115
4865 1 12 . 1 1 38 38 LYS H H 573 7.674 7.674 8.114 -0.440 18115
4866 1 12 . 1 1 39 39 CYS N N 574 117.635 117.635 119.481 -1.846 18115
4867 1 12 . 1 1 39 39 CYS HA H 574 3.863 3.863 3.999 -0.136 18115
4868 1 12 . 1 1 39 39 CYS C C 574 176.479 176.479 176.640 -0.161 18115
4869 1 12 . 1 1 39 39 CYS CA C 574 65.570 65.570 63.714 1.856 18115
4870 1 12 . 1 1 39 39 CYS CB C 574 26.680 26.680 27.651 -0.971 18115
4871 1 12 . 1 1 39 39 CYS H H 574 8.818 8.818 8.559 0.259 18115
4872 1 12 . 1 1 40 40 GLN N N 575 118.089 118.089 118.865 -0.776 18115
4873 1 12 . 1 1 40 40 GLN HA H 575 3.959 3.959 3.974 -0.015 18115
4874 1 12 . 1 1 40 40 GLN C C 575 178.023 178.023 178.806 -0.783 18115
4875 1 12 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.848 -0.179 18115
4876 1 12 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.213 -0.123 18115
4877 1 12 . 1 1 40 40 GLN H H 575 8.203 8.203 8.413 -0.210 18115
4878 1 12 . 1 1 41 41 GLU N N 576 121.535 121.535 120.256 1.279 18115
4879 1 12 . 1 1 41 41 GLU HA H 576 3.992 3.992 3.999 -0.007 18115
4880 1 12 . 1 1 41 41 GLU C C 576 179.586 179.586 179.129 0.457 18115
4881 1 12 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.843 0.046 18115
4882 1 12 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.687 0.326 18115
4883 1 12 . 1 1 41 41 GLU H H 576 8.074 8.074 8.067 0.007 18115
4884 1 12 . 1 1 42 42 VAL N N 577 120.038 120.038 120.359 -0.321 18115
4885 1 12 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.819 -0.108 18115
4886 1 12 . 1 1 42 42 VAL C C 577 177.102 177.102 177.813 -0.711 18115
4887 1 12 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.914 1.206 18115
4888 1 12 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.882 -0.350 18115
4889 1 12 . 1 1 42 42 VAL H H 577 8.144 8.144 8.073 0.071 18115
4890 1 12 . 1 1 43 43 ILE N N 578 122.306 122.306 120.600 1.706 18115
4891 1 12 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.724 -0.027 18115
4892 1 12 . 1 1 43 43 ILE C C 578 178.491 178.491 177.952 0.539 18115
4893 1 12 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.345 -0.727 18115
4894 1 12 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.645 0.042 18115
4895 1 12 . 1 1 43 43 ILE H H 578 8.504 8.504 8.660 -0.156 18115
4896 1 12 . 1 1 44 44 SER N N 579 115.928 115.928 115.839 0.089 18115
4897 1 12 . 1 1 44 44 SER HA H 579 4.265 4.265 4.210 0.055 18115
4898 1 12 . 1 1 44 44 SER C C 579 177.129 177.129 176.732 0.397 18115
4899 1 12 . 1 1 44 44 SER CA C 579 62.208 62.208 61.517 0.691 18115
4900 1 12 . 1 1 44 44 SER CB C 579 62.906 62.906 63.027 -0.121 18115
4901 1 12 . 1 1 44 44 SER H H 579 8.562 8.562 8.440 0.122 18115
4902 1 12 . 1 1 45 45 TRP N N 580 124.917 124.917 124.106 0.811 18115
4903 1 12 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.414 -0.373 18115
4904 1 12 . 1 1 45 45 TRP C C 580 179.278 179.278 177.760 1.518 18115
4905 1 12 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.188 1.317 18115
4906 1 12 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.530 -1.012 18115
4907 1 12 . 1 1 45 45 TRP H H 580 8.406 8.406 8.365 0.041 18115
4908 1 12 . 1 1 46 46 LEU N N 581 122.211 122.211 120.596 1.615 18115
4909 1 12 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.766 -0.110 18115
4910 1 12 . 1 1 46 46 LEU C C 581 179.119 179.119 179.454 -0.335 18115
4911 1 12 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.239 0.195 18115
4912 1 12 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.815 0.724 18115
4913 1 12 . 1 1 46 46 LEU H H 581 9.012 9.012 8.677 0.335 18115
4914 1 12 . 1 1 47 47 ASP N N 582 117.724 117.724 118.306 -0.582 18115
4915 1 12 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.385 -0.107 18115
4916 1 12 . 1 1 47 47 ASP C C 582 177.154 177.154 176.953 0.201 18115
4917 1 12 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.815 -0.021 18115
4918 1 12 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.349 -0.161 18115
4919 1 12 . 1 1 47 47 ASP H H 582 7.665 7.665 7.911 -0.246 18115
4920 1 12 . 1 1 48 48 ALA N N 583 118.604 118.604 120.297 -1.693 18115
4921 1 12 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.166 0.122 18115
4922 1 12 . 1 1 48 48 ALA C C 583 177.776 177.776 178.146 -0.370 18115
4923 1 12 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.411 -1.058 18115
4924 1 12 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.542 0.351 18115
4925 1 12 . 1 1 48 48 ALA H H 583 7.129 7.129 7.330 -0.201 18115
4926 1 12 . 1 1 49 49 ASN N N 584 118.883 118.883 116.134 2.749 18115
4927 1 12 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.842 -0.171 18115
4928 1 12 . 1 1 49 49 ASN C C 584 174.761 174.761 175.215 -0.454 18115
4929 1 12 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.274 0.574 18115
4930 1 12 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.590 -0.622 18115
4931 1 12 . 1 1 49 49 ASN H H 584 7.284 7.284 7.944 -0.660 18115
4932 1 12 . 1 1 50 50 THR N N 585 112.258 112.258 114.859 -2.601 18115
4933 1 12 . 1 1 50 50 THR HA H 585 3.967 3.967 4.260 -0.293 18115
4934 1 12 . 1 1 50 50 THR C C 585 175.787 175.787 174.834 0.953 18115
4935 1 12 . 1 1 50 50 THR CA C 585 65.175 65.175 64.222 0.952 18115
4936 1 12 . 1 1 50 50 THR CB C 585 69.336 69.336 68.983 0.353 18115
4937 1 12 . 1 1 50 50 THR H H 585 7.615 7.615 8.087 -0.472 18115
4938 1 12 . 1 1 51 51 LEU N N 586 120.550 120.550 119.448 1.102 18115
4939 1 12 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.535 0.008 18115
4940 1 12 . 1 1 51 51 LEU C C 586 176.635 176.635 176.739 -0.104 18115
4941 1 12 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.662 0.299 18115
4942 1 12 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.765 0.307 18115
4943 1 12 . 1 1 51 51 LEU H H 586 8.254 8.254 7.622 0.632 18115
4944 1 12 . 1 1 52 52 ALA N N 587 123.048 123.048 122.739 0.309 18115
4945 1 12 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.095 -0.019 18115
4946 1 12 . 1 1 52 52 ALA C C 587 176.356 176.356 177.722 -1.366 18115
4947 1 12 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.037 0.559 18115
4948 1 12 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.294 0.136 18115
4949 1 12 . 1 1 52 52 ALA H H 587 7.124 7.124 7.134 -0.010 18115
4950 1 12 . 1 1 53 53 GLU N N 588 118.471 118.471 120.605 -2.134 18115
4951 1 12 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.334 0.026 18115
4952 1 12 . 1 1 53 53 GLU C C 588 177.945 177.945 178.509 -0.564 18115
4953 1 12 . 1 1 53 53 GLU CA C 588 55.737 55.737 56.454 -0.717 18115
4954 1 12 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.364 0.835 18115
4955 1 12 . 1 1 53 53 GLU H H 588 8.429 8.429 8.369 0.060 18115
4956 1 12 . 1 1 54 54 LYS N N 589 121.635 121.635 122.060 -0.425 18115
4957 1 12 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.218 -0.068 18115
4958 1 12 . 1 1 54 54 LYS C C 589 178.445 178.445 178.210 0.235 18115
4959 1 12 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.162 0.545 18115
4960 1 12 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.182 0.608 18115
4961 1 12 . 1 1 54 54 LYS H H 589 8.763 8.763 8.819 -0.056 18115
4962 1 12 . 1 1 55 55 ASP N N 590 116.537 116.537 119.087 -2.550 18115
4963 1 12 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.236 0.084 18115
4964 1 12 . 1 1 55 55 ASP C C 590 178.649 178.649 178.394 0.255 18115
4965 1 12 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.738 -0.726 18115
4966 1 12 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.765 0.324 18115
4967 1 12 . 1 1 55 55 ASP H H 590 8.814 8.814 8.756 0.058 18115
4968 1 12 . 1 1 56 56 GLU N N 591 119.611 119.611 119.736 -0.125 18115
4969 1 12 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.105 -0.040 18115
4970 1 12 . 1 1 56 56 GLU C C 591 179.582 179.582 178.760 0.822 18115
4971 1 12 . 1 1 56 56 GLU CA C 591 59.513 59.513 58.903 0.610 18115
4972 1 12 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.314 0.499 18115
4973 1 12 . 1 1 56 56 GLU H H 591 7.785 7.785 7.751 0.034 18115
4974 1 12 . 1 1 57 57 PHE N N 592 117.509 117.509 118.555 -1.046 18115
4975 1 12 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.305 -0.080 18115
4976 1 12 . 1 1 57 57 PHE C C 592 178.436 178.436 177.961 0.475 18115
4977 1 12 . 1 1 57 57 PHE CA C 592 61.611 61.611 62.132 -0.521 18115
4978 1 12 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.524 0.310 18115
4979 1 12 . 1 1 57 57 PHE H H 592 7.443 7.443 7.487 -0.044 18115
4980 1 12 . 1 1 58 58 GLU N N 593 118.501 118.501 119.547 -1.046 18115
4981 1 12 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.953 0.181 18115
4982 1 12 . 1 1 58 58 GLU C C 593 178.855 178.855 179.472 -0.617 18115
4983 1 12 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.648 -0.664 18115
4984 1 12 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.908 0.159 18115
4985 1 12 . 1 1 58 58 GLU H H 593 7.952 7.952 8.461 -0.509 18115
4986 1 12 . 1 1 59 59 HIS N N 594 118.563 118.563 118.390 0.173 18115
4987 1 12 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.257 -0.044 18115
4988 1 12 . 1 1 59 59 HIS C C 594 177.856 177.856 177.609 0.247 18115
4989 1 12 . 1 1 59 59 HIS CA C 594 59.268 59.268 58.532 0.736 18115
4990 1 12 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.731 -0.694 18115
4991 1 12 . 1 1 59 59 HIS H H 594 8.126 8.126 8.182 -0.056 18115
4992 1 12 . 1 1 60 60 LYS N N 595 119.034 119.034 120.153 -1.119 18115
4993 1 12 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.821 -0.127 18115
4994 1 12 . 1 1 60 60 LYS C C 595 178.057 178.057 178.480 -0.423 18115
4995 1 12 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.570 -1.423 18115
4996 1 12 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.867 -1.090 18115
4997 1 12 . 1 1 60 60 LYS H H 595 7.733 7.733 7.754 -0.021 18115
4998 1 12 . 1 1 61 61 ARG N N 596 120.071 120.071 119.305 0.766 18115
4999 1 12 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.712 -0.064 18115
5000 1 12 . 1 1 61 61 ARG C C 596 177.921 177.921 178.181 -0.260 18115
5001 1 12 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.748 0.430 18115
5002 1 12 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.027 -0.223 18115
5003 1 12 . 1 1 61 61 ARG H H 596 8.167 8.167 8.450 -0.283 18115
5004 1 12 . 1 1 62 62 LYS N N 597 118.731 118.731 118.495 0.236 18115
5005 1 12 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.048 -0.162 18115
5006 1 12 . 1 1 62 62 LYS C C 597 178.963 178.963 179.175 -0.212 18115
5007 1 12 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.495 0.742 18115
5008 1 12 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.672 0.227 18115
5009 1 12 . 1 1 62 62 LYS H H 597 7.948 7.948 7.641 0.307 18115
5010 1 12 . 1 1 63 63 GLU N N 598 118.881 118.881 120.490 -1.609 18115
5011 1 12 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.966 -0.090 18115
5012 1 12 . 1 1 63 63 GLU C C 598 179.408 179.408 179.085 0.323 18115
5013 1 12 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.275 0.110 18115
5014 1 12 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.585 0.817 18115
5015 1 12 . 1 1 63 63 GLU H H 598 7.794 7.794 8.130 -0.336 18115
5016 1 12 . 1 1 64 64 LEU N N 599 119.904 119.904 120.525 -0.621 18115
5017 1 12 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.956 0.114 18115
5018 1 12 . 1 1 64 64 LEU C C 599 178.814 178.814 178.303 0.511 18115
5019 1 12 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.603 0.393 18115
5020 1 12 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.381 0.639 18115
5021 1 12 . 1 1 64 64 LEU H H 599 7.800 7.800 8.325 -0.525 18115
5022 1 12 . 1 1 65 65 GLU N N 600 122.446 122.446 120.279 2.167 18115
5023 1 12 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.050 0.116 18115
5024 1 12 . 1 1 65 65 GLU C C 600 178.550 178.550 179.239 -0.689 18115
5025 1 12 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.695 0.036 18115
5026 1 12 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.559 0.710 18115
5027 1 12 . 1 1 65 65 GLU H H 600 8.948 8.948 8.170 0.778 18115
5028 1 12 . 1 1 66 66 GLN N N 601 116.068 116.068 117.702 -1.634 18115
5029 1 12 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.098 -0.147 18115
5030 1 12 . 1 1 66 66 GLN C C 601 178.277 178.277 178.556 -0.279 18115
5031 1 12 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.169 0.357 18115
5032 1 12 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.752 -0.130 18115
5033 1 12 . 1 1 66 66 GLN H H 601 8.109 8.109 8.051 0.058 18115
5034 1 12 . 1 1 67 67 VAL N N 602 116.121 116.121 118.773 -2.652 18115
5035 1 12 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.924 -0.119 18115
5036 1 12 . 1 1 67 67 VAL C C 602 177.423 177.423 176.896 0.527 18115
5037 1 12 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.635 0.470 18115
5038 1 12 . 1 1 67 67 VAL CB C 602 33.177 33.177 31.972 1.205 18115
5039 1 12 . 1 1 67 67 VAL H H 602 7.171 7.171 7.645 -0.474 18115
5040 1 12 . 1 1 68 68 CYS N N 603 114.504 114.504 115.000 -0.496 18115
5041 1 12 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.310 -0.312 18115
5042 1 12 . 1 1 68 68 CYS C C 603 176.503 176.503 176.509 -0.006 18115
5043 1 12 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.179 3.146 18115
5044 1 12 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.396 0.269 18115
5045 1 12 . 1 1 68 68 CYS H H 603 8.138 8.138 8.148 -0.010 18115
5046 1 12 . 1 1 69 69 ASN N N 604 119.915 119.915 121.288 -1.373 18115
5047 1 12 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.504 0.070 18115
5048 1 12 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.982 -0.167 18115
5049 1 12 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.712 -0.897 18115
5050 1 12 . 1 1 69 69 ASN H H 604 9.045 9.045 8.794 0.251 18115
5051 1 12 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.255 0.016 18115
5052 1 12 . 1 1 70 70 PRO C C 605 177.471 177.471 176.841 0.630 18115
5053 1 12 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.439 0.230 18115
5054 1 12 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.483 0.105 18115
5055 1 12 . 1 1 71 71 ILE N N 606 115.752 115.752 114.045 1.707 18115
5056 1 12 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.097 -0.279 18115
5057 1 12 . 1 1 71 71 ILE C C 606 177.032 177.032 177.904 -0.872 18115
5058 1 12 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.545 -0.227 18115
5059 1 12 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.493 1.131 18115
5060 1 12 . 1 1 71 71 ILE H H 606 6.851 6.851 7.443 -0.592 18115
5061 1 12 . 1 1 72 72 ILE N N 607 116.042 116.042 122.550 -6.508 18115
5062 1 12 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.793 0.213 18115
5063 1 12 . 1 1 72 72 ILE C C 607 177.236 177.236 178.350 -1.114 18115
5064 1 12 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.996 -2.270 18115
5065 1 12 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.719 0.583 18115
5066 1 12 . 1 1 72 72 ILE H H 607 8.032 8.032 8.831 -0.799 18115
5067 1 12 . 1 1 73 73 SER N N 608 115.855 115.855 115.696 0.159 18115
5068 1 12 . 1 1 73 73 SER HA H 608 4.277 4.277 4.322 -0.045 18115
5069 1 12 . 1 1 73 73 SER C C 608 175.111 175.111 175.540 -0.429 18115
5070 1 12 . 1 1 73 73 SER CA C 608 60.134 60.134 60.684 -0.550 18115
5071 1 12 . 1 1 73 73 SER CB C 608 63.480 63.480 63.002 0.478 18115
5072 1 12 . 1 1 73 73 SER H H 608 8.001 8.001 8.411 -0.410 18115
5073 1 12 . 1 1 74 74 GLY N N 609 109.991 109.991 108.934 1.057 18115
5074 1 12 . 1 1 74 74 GLY C C 609 173.508 173.508 173.920 -0.412 18115
5075 1 12 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.893 0.422 18115
5076 1 12 . 1 1 74 74 GLY H H 609 7.924 7.924 7.760 0.164 18115
5077 1 13 . 1 1 3 3 ALA N N 538 127.340 127.340 126.591 0.749 18115
5078 1 13 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.931 0.176 18115
5079 1 13 . 1 1 3 3 ALA C C 538 179.658 179.658 178.326 1.332 18115
5080 1 13 . 1 1 3 3 ALA CA C 538 54.791 54.791 55.010 -0.219 18115
5081 1 13 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.859 -0.252 18115
5082 1 13 . 1 1 3 3 ALA H H 538 8.781 8.781 8.288 0.493 18115
5083 1 13 . 1 1 4 4 LYS N N 539 120.439 120.439 118.439 2.000 18115
5084 1 13 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.347 -0.082 18115
5085 1 13 . 1 1 4 4 LYS C C 539 177.428 177.428 177.892 -0.464 18115
5086 1 13 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.529 1.212 18115
5087 1 13 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.198 1.044 18115
5088 1 13 . 1 1 4 4 LYS H H 539 8.006 8.006 7.807 0.199 18115
5089 1 13 . 1 1 5 5 ASN N N 540 117.109 117.109 116.448 0.661 18115
5090 1 13 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.423 -0.042 18115
5091 1 13 . 1 1 5 5 ASN C C 540 177.598 177.598 177.743 -0.145 18115
5092 1 13 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.101 -0.343 18115
5093 1 13 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.679 0.607 18115
5094 1 13 . 1 1 5 5 ASN H H 540 7.789 7.789 8.119 -0.330 18115
5095 1 13 . 1 1 6 6 ALA N N 541 122.489 122.489 123.302 -0.813 18115
5096 1 13 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.191 -0.087 18115
5097 1 13 . 1 1 6 6 ALA C C 541 180.393 180.393 179.965 0.428 18115
5098 1 13 . 1 1 6 6 ALA CA C 541 55.036 55.036 54.969 0.067 18115
5099 1 13 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.451 -0.296 18115
5100 1 13 . 1 1 6 6 ALA H H 541 8.209 8.209 8.441 -0.232 18115
5101 1 13 . 1 1 7 7 LEU N N 542 120.603 120.603 120.398 0.205 18115
5102 1 13 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.111 0.082 18115
5103 1 13 . 1 1 7 7 LEU C C 542 177.015 177.015 178.760 -1.745 18115
5104 1 13 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.190 -0.235 18115
5105 1 13 . 1 1 7 7 LEU CB C 542 41.223 41.223 41.174 0.049 18115
5106 1 13 . 1 1 7 7 LEU H H 542 7.775 7.775 8.482 -0.707 18115
5107 1 13 . 1 1 8 8 GLU N N 543 119.550 119.550 120.033 -0.483 18115
5108 1 13 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.132 -0.577 18115
5109 1 13 . 1 1 8 8 GLU C C 543 177.949 177.949 179.010 -1.061 18115
5110 1 13 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.079 0.233 18115
5111 1 13 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.750 0.675 18115
5112 1 13 . 1 1 8 8 GLU H H 543 8.418 8.418 8.792 -0.374 18115
5113 1 13 . 1 1 9 9 SER N N 544 112.181 112.181 115.615 -3.434 18115
5114 1 13 . 1 1 9 9 SER HA H 544 4.192 4.192 4.172 0.020 18115
5115 1 13 . 1 1 9 9 SER C C 544 176.285 176.285 176.815 -0.530 18115
5116 1 13 . 1 1 9 9 SER CA C 544 61.890 61.890 61.527 0.363 18115
5117 1 13 . 1 1 9 9 SER CB C 544 63.000 63.000 63.142 -0.142 18115
5118 1 13 . 1 1 9 9 SER H H 544 8.313 8.313 8.200 0.113 18115
5119 1 13 . 1 1 10 10 TYR N N 545 122.309 122.309 122.810 -0.501 18115
5120 1 13 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.165 0.224 18115
5121 1 13 . 1 1 10 10 TYR C C 545 177.193 177.193 177.046 0.147 18115
5122 1 13 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.526 -0.184 18115
5123 1 13 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.431 0.456 18115
5124 1 13 . 1 1 10 10 TYR H H 545 7.811 7.811 8.186 -0.375 18115
5125 1 13 . 1 1 11 11 ALA N N 546 120.404 120.404 122.198 -1.794 18115
5126 1 13 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.177 -0.388 18115
5127 1 13 . 1 1 11 11 ALA C C 546 179.480 179.480 179.734 -0.254 18115
5128 1 13 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.878 0.810 18115
5129 1 13 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.215 -0.590 18115
5130 1 13 . 1 1 11 11 ALA H H 546 8.456 8.456 8.322 0.134 18115
5131 1 13 . 1 1 12 12 PHE N N 547 116.158 116.158 118.161 -2.003 18115
5132 1 13 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.113 0.032 18115
5133 1 13 . 1 1 12 12 PHE C C 547 179.133 179.133 177.984 1.149 18115
5134 1 13 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.715 -1.302 18115
5135 1 13 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.705 -0.425 18115
5136 1 13 . 1 1 12 12 PHE H H 547 8.430 8.430 9.005 -0.575 18115
5137 1 13 . 1 1 13 13 ASN N N 548 120.231 120.231 118.571 1.660 18115
5138 1 13 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.461 -0.042 18115
5139 1 13 . 1 1 13 13 ASN C C 548 178.326 178.326 177.905 0.421 18115
5140 1 13 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.668 -0.716 18115
5141 1 13 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.569 -0.615 18115
5142 1 13 . 1 1 13 13 ASN H H 548 8.654 8.654 8.356 0.298 18115
5143 1 13 . 1 1 14 14 MET N N 549 121.990 121.990 118.385 3.605 18115
5144 1 13 . 1 1 14 14 MET HA H 549 4.278 4.278 4.199 0.079 18115
5145 1 13 . 1 1 14 14 MET C C 549 176.929 176.929 178.152 -1.223 18115
5146 1 13 . 1 1 14 14 MET CA C 549 57.182 57.182 57.789 -0.607 18115
5147 1 13 . 1 1 14 14 MET CB C 549 32.998 32.998 31.798 1.200 18115
5148 1 13 . 1 1 14 14 MET H H 549 8.331 8.331 8.236 0.095 18115
5149 1 13 . 1 1 15 15 LYS N N 550 119.946 119.946 120.327 -0.381 18115
5150 1 13 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.887 -0.172 18115
5151 1 13 . 1 1 15 15 LYS C C 550 177.879 177.879 178.892 -1.013 18115
5152 1 13 . 1 1 15 15 LYS CA C 550 59.971 59.971 59.986 -0.014 18115
5153 1 13 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.163 0.647 18115
5154 1 13 . 1 1 15 15 LYS H H 550 7.731 7.731 8.241 -0.510 18115
5155 1 13 . 1 1 16 16 SER N N 551 111.477 111.477 114.884 -3.407 18115
5156 1 13 . 1 1 16 16 SER HA H 551 4.093 4.093 4.238 -0.145 18115
5157 1 13 . 1 1 16 16 SER C C 551 177.031 177.031 175.977 1.054 18115
5158 1 13 . 1 1 16 16 SER CA C 551 61.173 61.173 61.065 0.108 18115
5159 1 13 . 1 1 16 16 SER CB C 551 63.007 63.007 63.087 -0.081 18115
5160 1 13 . 1 1 16 16 SER H H 551 7.766 7.766 8.236 -0.470 18115
5161 1 13 . 1 1 17 17 ALA N N 552 123.689 123.689 122.306 1.383 18115
5162 1 13 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.141 -0.058 18115
5163 1 13 . 1 1 17 17 ALA C C 552 180.384 180.384 180.338 0.046 18115
5164 1 13 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.675 0.613 18115
5165 1 13 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.817 -0.652 18115
5166 1 13 . 1 1 17 17 ALA H H 552 8.089 8.089 7.710 0.379 18115
5167 1 13 . 1 1 18 18 VAL N N 553 109.294 109.294 114.403 -5.109 18115
5168 1 13 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.852 0.164 18115
5169 1 13 . 1 1 18 18 VAL C C 553 176.352 176.352 177.745 -1.393 18115
5170 1 13 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.289 -1.531 18115
5171 1 13 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.717 -0.065 18115
5172 1 13 . 1 1 18 18 VAL H H 553 7.560 7.560 7.623 -0.063 18115
5173 1 13 . 1 1 19 19 GLU N N 554 118.414 118.414 118.168 0.246 18115
5174 1 13 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.331 -0.116 18115
5175 1 13 . 1 1 19 19 GLU C C 554 176.794 176.794 176.094 0.700 18115
5176 1 13 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.162 0.582 18115
5177 1 13 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.236 0.923 18115
5178 1 13 . 1 1 19 19 GLU H H 554 7.389 7.389 7.858 -0.469 18115
5179 1 13 . 1 1 20 20 ASP N N 555 120.735 120.735 120.890 -0.155 18115
5180 1 13 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.525 -0.158 18115
5181 1 13 . 1 1 20 20 ASP C C 555 178.171 178.171 177.044 1.127 18115
5182 1 13 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.307 1.560 18115
5183 1 13 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.328 0.546 18115
5184 1 13 . 1 1 20 20 ASP H H 555 7.224 7.224 7.292 -0.068 18115
5185 1 13 . 1 1 21 21 GLU N N 556 126.927 126.927 123.605 3.322 18115
5186 1 13 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.200 -0.219 18115
5187 1 13 . 1 1 21 21 GLU C C 556 178.691 178.691 177.280 1.411 18115
5188 1 13 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.403 1.741 18115
5189 1 13 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.309 0.240 18115
5190 1 13 . 1 1 21 21 GLU H H 556 9.007 9.007 8.796 0.211 18115
5191 1 13 . 1 1 22 22 GLY N N 557 108.255 108.255 105.651 2.604 18115
5192 1 13 . 1 1 22 22 GLY C C 557 175.344 175.344 174.555 0.789 18115
5193 1 13 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.250 1.158 18115
5194 1 13 . 1 1 22 22 GLY H H 557 9.031 9.031 8.448 0.583 18115
5195 1 13 . 1 1 23 23 LEU N N 558 119.463 119.463 120.536 -1.073 18115
5196 1 13 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.445 -0.099 18115
5197 1 13 . 1 1 23 23 LEU C C 558 177.893 177.893 175.724 2.169 18115
5198 1 13 . 1 1 23 23 LEU CA C 558 54.920 54.920 53.840 1.080 18115
5199 1 13 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.717 -0.331 18115
5200 1 13 . 1 1 23 23 LEU H H 558 7.606 7.606 7.510 0.096 18115
5201 1 13 . 1 1 24 24 LYS N N 559 120.994 120.994 119.690 1.304 18115
5202 1 13 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.165 -0.093 18115
5203 1 13 . 1 1 24 24 LYS C C 559 177.830 177.830 177.284 0.546 18115
5204 1 13 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.606 0.871 18115
5205 1 13 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.997 0.362 18115
5206 1 13 . 1 1 24 24 LYS H H 559 7.572 7.572 7.467 0.105 18115
5207 1 13 . 1 1 25 25 GLY N N 560 111.895 111.895 115.081 -3.186 18115
5208 1 13 . 1 1 25 25 GLY C C 560 174.451 174.451 175.251 -0.800 18115
5209 1 13 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.750 -0.164 18115
5210 1 13 . 1 1 25 25 GLY H H 560 8.770 8.770 8.682 0.088 18115
5211 1 13 . 1 1 26 26 LYS N N 561 118.925 118.925 120.707 -1.782 18115
5212 1 13 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.301 0.035 18115
5213 1 13 . 1 1 26 26 LYS C C 561 175.860 175.860 177.258 -1.398 18115
5214 1 13 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.483 -0.617 18115
5215 1 13 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.312 0.889 18115
5216 1 13 . 1 1 26 26 LYS H H 561 8.116 8.116 7.788 0.328 18115
5217 1 13 . 1 1 27 27 ILE N N 562 116.463 116.463 120.242 -3.779 18115
5218 1 13 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.212 0.286 18115
5219 1 13 . 1 1 27 27 ILE C C 562 174.838 174.838 174.229 0.609 18115
5220 1 13 . 1 1 27 27 ILE CA C 562 59.388 59.388 60.303 -0.916 18115
5221 1 13 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.253 0.416 18115
5222 1 13 . 1 1 27 27 ILE H H 562 7.430 7.430 7.550 -0.120 18115
5223 1 13 . 1 1 28 28 SER N N 563 124.501 124.501 121.785 2.716 18115
5224 1 13 . 1 1 28 28 SER HA H 563 4.404 4.404 4.622 -0.218 18115
5225 1 13 . 1 1 28 28 SER C C 563 174.870 174.870 175.427 -0.557 18115
5226 1 13 . 1 1 28 28 SER CA C 563 57.432 57.432 57.369 0.063 18115
5227 1 13 . 1 1 28 28 SER CB C 563 64.793 64.793 64.014 0.778 18115
5228 1 13 . 1 1 28 28 SER H H 563 9.375 9.375 8.567 0.808 18115
5229 1 13 . 1 1 29 29 GLU N N 564 122.048 122.048 124.808 -2.760 18115
5230 1 13 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.890 0.010 18115
5231 1 13 . 1 1 29 29 GLU C C 564 179.396 179.396 178.322 1.074 18115
5232 1 13 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.785 -0.071 18115
5233 1 13 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.107 0.111 18115
5234 1 13 . 1 1 29 29 GLU H H 564 8.970 8.970 9.016 -0.046 18115
5235 1 13 . 1 1 30 30 ALA N N 565 120.829 120.829 122.025 -1.196 18115
5236 1 13 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.045 0.001 18115
5237 1 13 . 1 1 30 30 ALA C C 565 180.524 180.524 179.731 0.793 18115
5238 1 13 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.148 -0.110 18115
5239 1 13 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.732 0.731 18115
5240 1 13 . 1 1 30 30 ALA H H 565 8.465 8.465 8.510 -0.045 18115
5241 1 13 . 1 1 31 31 ASP N N 566 121.111 121.111 119.077 2.034 18115
5242 1 13 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.338 0.101 18115
5243 1 13 . 1 1 31 31 ASP C C 566 177.738 177.738 178.552 -0.814 18115
5244 1 13 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.585 -0.279 18115
5245 1 13 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.529 -0.574 18115
5246 1 13 . 1 1 31 31 ASP H H 566 7.835 7.835 7.787 0.048 18115
5247 1 13 . 1 1 32 32 LYS N N 567 121.278 121.278 121.342 -0.064 18115
5248 1 13 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.857 -0.264 18115
5249 1 13 . 1 1 32 32 LYS C C 567 177.700 177.700 178.896 -1.196 18115
5250 1 13 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.809 0.745 18115
5251 1 13 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.411 0.185 18115
5252 1 13 . 1 1 32 32 LYS H H 567 8.379 8.379 8.108 0.271 18115
5253 1 13 . 1 1 33 33 LYS N N 568 117.531 117.531 118.392 -0.861 18115
5254 1 13 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.974 -0.135 18115
5255 1 13 . 1 1 33 33 LYS C C 568 177.391 177.391 178.862 -1.471 18115
5256 1 13 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.755 -0.348 18115
5257 1 13 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.528 -0.047 18115
5258 1 13 . 1 1 33 33 LYS H H 568 7.846 7.846 8.466 -0.620 18115
5259 1 13 . 1 1 34 34 LYS N N 569 118.376 118.376 119.896 -1.520 18115
5260 1 13 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.027 -0.028 18115
5261 1 13 . 1 1 34 34 LYS C C 569 180.064 180.064 178.996 1.068 18115
5262 1 13 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.331 0.622 18115
5263 1 13 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.162 0.692 18115
5264 1 13 . 1 1 34 34 LYS H H 569 7.647 7.647 8.088 -0.441 18115
5265 1 13 . 1 1 35 35 VAL N N 570 118.353 118.353 120.863 -2.510 18115
5266 1 13 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.747 -0.273 18115
5267 1 13 . 1 1 35 35 VAL C C 570 178.019 178.019 177.433 0.586 18115
5268 1 13 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.935 1.017 18115
5269 1 13 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.112 0.421 18115
5270 1 13 . 1 1 35 35 VAL H H 570 7.638 7.638 7.898 -0.260 18115
5271 1 13 . 1 1 36 36 LEU N N 571 120.671 120.671 121.253 -0.582 18115
5272 1 13 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.842 -0.052 18115
5273 1 13 . 1 1 36 36 LEU C C 571 180.444 180.444 179.046 1.398 18115
5274 1 13 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.671 0.242 18115
5275 1 13 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.367 -0.160 18115
5276 1 13 . 1 1 36 36 LEU H H 571 8.693 8.693 8.173 0.520 18115
5277 1 13 . 1 1 37 37 ASP N N 572 120.071 120.071 119.181 0.890 18115
5278 1 13 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.280 0.039 18115
5279 1 13 . 1 1 37 37 ASP C C 572 179.345 179.345 178.460 0.885 18115
5280 1 13 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.913 -0.630 18115
5281 1 13 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.910 -1.234 18115
5282 1 13 . 1 1 37 37 ASP H H 572 9.265 9.265 8.478 0.787 18115
5283 1 13 . 1 1 38 38 LYS N N 573 121.858 121.858 120.817 1.041 18115
5284 1 13 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.357 -0.097 18115
5285 1 13 . 1 1 38 38 LYS C C 573 178.856 178.856 178.744 0.112 18115
5286 1 13 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.372 -1.311 18115
5287 1 13 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.901 -0.915 18115
5288 1 13 . 1 1 38 38 LYS H H 573 7.674 7.674 8.003 -0.329 18115
5289 1 13 . 1 1 39 39 CYS N N 574 117.635 117.635 118.746 -1.111 18115
5290 1 13 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.086 -0.223 18115
5291 1 13 . 1 1 39 39 CYS C C 574 176.479 176.479 176.964 -0.485 18115
5292 1 13 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.389 1.181 18115
5293 1 13 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.986 -0.306 18115
5294 1 13 . 1 1 39 39 CYS H H 574 8.818 8.818 8.771 0.047 18115
5295 1 13 . 1 1 40 40 GLN N N 575 118.089 118.089 119.315 -1.226 18115
5296 1 13 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.003 -0.044 18115
5297 1 13 . 1 1 40 40 GLN C C 575 178.023 178.023 178.697 -0.674 18115
5298 1 13 . 1 1 40 40 GLN CA C 575 58.669 58.669 59.161 -0.492 18115
5299 1 13 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.343 -0.253 18115
5300 1 13 . 1 1 40 40 GLN H H 575 8.203 8.203 8.371 -0.168 18115
5301 1 13 . 1 1 41 41 GLU N N 576 121.535 121.535 120.561 0.974 18115
5302 1 13 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.034 -0.042 18115
5303 1 13 . 1 1 41 41 GLU C C 576 179.586 179.586 179.223 0.363 18115
5304 1 13 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.493 0.396 18115
5305 1 13 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.579 0.434 18115
5306 1 13 . 1 1 41 41 GLU H H 576 8.074 8.074 8.005 0.069 18115
5307 1 13 . 1 1 42 42 VAL N N 577 120.038 120.038 120.096 -0.058 18115
5308 1 13 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.849 -0.138 18115
5309 1 13 . 1 1 42 42 VAL C C 577 177.102 177.102 177.744 -0.642 18115
5310 1 13 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.723 1.397 18115
5311 1 13 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.877 -0.345 18115
5312 1 13 . 1 1 42 42 VAL H H 577 8.144 8.144 8.066 0.078 18115
5313 1 13 . 1 1 43 43 ILE N N 578 122.306 122.306 120.749 1.557 18115
5314 1 13 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.730 -0.033 18115
5315 1 13 . 1 1 43 43 ILE C C 578 178.491 178.491 177.864 0.627 18115
5316 1 13 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.370 -0.752 18115
5317 1 13 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.706 -0.019 18115
5318 1 13 . 1 1 43 43 ILE H H 578 8.504 8.504 8.537 -0.033 18115
5319 1 13 . 1 1 44 44 SER N N 579 115.928 115.928 115.559 0.369 18115
5320 1 13 . 1 1 44 44 SER HA H 579 4.265 4.265 4.211 0.054 18115
5321 1 13 . 1 1 44 44 SER C C 579 177.129 177.129 176.729 0.400 18115
5322 1 13 . 1 1 44 44 SER CA C 579 62.208 62.208 61.407 0.801 18115
5323 1 13 . 1 1 44 44 SER CB C 579 62.906 62.906 63.053 -0.147 18115
5324 1 13 . 1 1 44 44 SER H H 579 8.562 8.562 8.328 0.234 18115
5325 1 13 . 1 1 45 45 TRP N N 580 124.917 124.917 123.988 0.929 18115
5326 1 13 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.393 -0.352 18115
5327 1 13 . 1 1 45 45 TRP C C 580 179.278 179.278 177.698 1.580 18115
5328 1 13 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.123 1.382 18115
5329 1 13 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.502 -0.984 18115
5330 1 13 . 1 1 45 45 TRP H H 580 8.406 8.406 8.256 0.150 18115
5331 1 13 . 1 1 46 46 LEU N N 581 122.211 122.211 120.053 2.158 18115
5332 1 13 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.767 -0.111 18115
5333 1 13 . 1 1 46 46 LEU C C 581 179.119 179.119 179.308 -0.189 18115
5334 1 13 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.093 0.341 18115
5335 1 13 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.787 0.752 18115
5336 1 13 . 1 1 46 46 LEU H H 581 9.012 9.012 8.603 0.409 18115
5337 1 13 . 1 1 47 47 ASP N N 582 117.724 117.724 117.713 0.011 18115
5338 1 13 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.392 -0.114 18115
5339 1 13 . 1 1 47 47 ASP C C 582 177.154 177.154 176.954 0.200 18115
5340 1 13 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.615 0.179 18115
5341 1 13 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.174 0.015 18115
5342 1 13 . 1 1 47 47 ASP H H 582 7.665 7.665 7.812 -0.147 18115
5343 1 13 . 1 1 48 48 ALA N N 583 118.604 118.604 119.186 -0.582 18115
5344 1 13 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.236 0.052 18115
5345 1 13 . 1 1 48 48 ALA C C 583 177.776 177.776 178.256 -0.480 18115
5346 1 13 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.345 -0.992 18115
5347 1 13 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.472 0.421 18115
5348 1 13 . 1 1 48 48 ALA H H 583 7.129 7.129 6.969 0.160 18115
5349 1 13 . 1 1 49 49 ASN N N 584 118.883 118.883 116.198 2.685 18115
5350 1 13 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.849 -0.178 18115
5351 1 13 . 1 1 49 49 ASN C C 584 174.761 174.761 175.345 -0.584 18115
5352 1 13 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.170 0.678 18115
5353 1 13 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.370 -0.402 18115
5354 1 13 . 1 1 49 49 ASN H H 584 7.284 7.284 7.955 -0.671 18115
5355 1 13 . 1 1 50 50 THR N N 585 112.258 112.258 114.265 -2.007 18115
5356 1 13 . 1 1 50 50 THR HA H 585 3.967 3.967 4.225 -0.258 18115
5357 1 13 . 1 1 50 50 THR C C 585 175.787 175.787 175.109 0.678 18115
5358 1 13 . 1 1 50 50 THR CA C 585 65.175 65.175 64.600 0.575 18115
5359 1 13 . 1 1 50 50 THR CB C 585 69.336 69.336 68.832 0.504 18115
5360 1 13 . 1 1 50 50 THR H H 585 7.615 7.615 8.050 -0.435 18115
5361 1 13 . 1 1 51 51 LEU N N 586 120.550 120.550 119.032 1.518 18115
5362 1 13 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.520 0.023 18115
5363 1 13 . 1 1 51 51 LEU C C 586 176.635 176.635 176.965 -0.330 18115
5364 1 13 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.543 0.418 18115
5365 1 13 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.457 0.615 18115
5366 1 13 . 1 1 51 51 LEU H H 586 8.254 8.254 7.598 0.656 18115
5367 1 13 . 1 1 52 52 ALA N N 587 123.048 123.048 122.147 0.901 18115
5368 1 13 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.082 -0.006 18115
5369 1 13 . 1 1 52 52 ALA C C 587 176.356 176.356 177.332 -0.976 18115
5370 1 13 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.435 0.161 18115
5371 1 13 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.561 -0.129 18115
5372 1 13 . 1 1 52 52 ALA H H 587 7.124 7.124 7.215 -0.091 18115
5373 1 13 . 1 1 53 53 GLU N N 588 118.471 118.471 119.917 -1.446 18115
5374 1 13 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.371 -0.011 18115
5375 1 13 . 1 1 53 53 GLU C C 588 177.945 177.945 178.508 -0.563 18115
5376 1 13 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.823 -0.086 18115
5377 1 13 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.552 0.647 18115
5378 1 13 . 1 1 53 53 GLU H H 588 8.429 8.429 8.468 -0.039 18115
5379 1 13 . 1 1 54 54 LYS N N 589 121.635 121.635 122.041 -0.406 18115
5380 1 13 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.190 -0.040 18115
5381 1 13 . 1 1 54 54 LYS C C 589 178.445 178.445 177.764 0.681 18115
5382 1 13 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.176 0.531 18115
5383 1 13 . 1 1 54 54 LYS CB C 589 32.790 32.790 31.683 1.107 18115
5384 1 13 . 1 1 54 54 LYS H H 589 8.763 8.763 8.753 0.010 18115
5385 1 13 . 1 1 55 55 ASP N N 590 116.537 116.537 117.125 -0.588 18115
5386 1 13 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.521 -0.201 18115
5387 1 13 . 1 1 55 55 ASP C C 590 178.649 178.649 178.336 0.313 18115
5388 1 13 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.214 -0.202 18115
5389 1 13 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.825 0.264 18115
5390 1 13 . 1 1 55 55 ASP H H 590 8.814 8.814 8.781 0.033 18115
5391 1 13 . 1 1 56 56 GLU N N 591 119.611 119.611 120.944 -1.333 18115
5392 1 13 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.072 -0.007 18115
5393 1 13 . 1 1 56 56 GLU C C 591 179.582 179.582 178.602 0.980 18115
5394 1 13 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.241 0.272 18115
5395 1 13 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.180 0.633 18115
5396 1 13 . 1 1 56 56 GLU H H 591 7.785 7.785 7.794 -0.009 18115
5397 1 13 . 1 1 57 57 PHE N N 592 117.509 117.509 118.201 -0.692 18115
5398 1 13 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.427 -0.202 18115
5399 1 13 . 1 1 57 57 PHE C C 592 178.436 178.436 178.318 0.118 18115
5400 1 13 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.599 0.012 18115
5401 1 13 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.787 0.047 18115
5402 1 13 . 1 1 57 57 PHE H H 592 7.443 7.443 7.584 -0.141 18115
5403 1 13 . 1 1 58 58 GLU N N 593 118.501 118.501 119.457 -0.956 18115
5404 1 13 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.992 0.142 18115
5405 1 13 . 1 1 58 58 GLU C C 593 178.855 178.855 179.171 -0.316 18115
5406 1 13 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.722 -0.738 18115
5407 1 13 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.063 0.004 18115
5408 1 13 . 1 1 58 58 GLU H H 593 7.952 7.952 8.428 -0.476 18115
5409 1 13 . 1 1 59 59 HIS N N 594 118.563 118.563 119.006 -0.443 18115
5410 1 13 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.302 -0.089 18115
5411 1 13 . 1 1 59 59 HIS C C 594 177.856 177.856 177.391 0.465 18115
5412 1 13 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.611 -0.343 18115
5413 1 13 . 1 1 59 59 HIS CB C 594 29.037 29.037 30.333 -1.296 18115
5414 1 13 . 1 1 59 59 HIS H H 594 8.126 8.126 8.417 -0.291 18115
5415 1 13 . 1 1 60 60 LYS N N 595 119.034 119.034 119.753 -0.719 18115
5416 1 13 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.937 -0.243 18115
5417 1 13 . 1 1 60 60 LYS C C 595 178.057 178.057 178.686 -0.629 18115
5418 1 13 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.217 -1.070 18115
5419 1 13 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.820 -1.043 18115
5420 1 13 . 1 1 60 60 LYS H H 595 7.733 7.733 7.823 -0.090 18115
5421 1 13 . 1 1 61 61 ARG N N 596 120.071 120.071 119.513 0.558 18115
5422 1 13 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.712 -0.064 18115
5423 1 13 . 1 1 61 61 ARG C C 596 177.921 177.921 178.153 -0.232 18115
5424 1 13 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.912 0.266 18115
5425 1 13 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.906 -0.101 18115
5426 1 13 . 1 1 61 61 ARG H H 596 8.167 8.167 8.260 -0.093 18115
5427 1 13 . 1 1 62 62 LYS N N 597 118.731 118.731 118.532 0.199 18115
5428 1 13 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.113 -0.227 18115
5429 1 13 . 1 1 62 62 LYS C C 597 178.963 178.963 179.321 -0.358 18115
5430 1 13 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.233 1.004 18115
5431 1 13 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.413 0.486 18115
5432 1 13 . 1 1 62 62 LYS H H 597 7.948 7.948 7.531 0.417 18115
5433 1 13 . 1 1 63 63 GLU N N 598 118.881 118.881 120.221 -1.340 18115
5434 1 13 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.866 0.010 18115
5435 1 13 . 1 1 63 63 GLU C C 598 179.408 179.408 179.039 0.369 18115
5436 1 13 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.122 0.263 18115
5437 1 13 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.442 0.962 18115
5438 1 13 . 1 1 63 63 GLU H H 598 7.794 7.794 7.632 0.162 18115
5439 1 13 . 1 1 64 64 LEU N N 599 119.904 119.904 120.565 -0.661 18115
5440 1 13 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.882 0.188 18115
5441 1 13 . 1 1 64 64 LEU C C 599 178.814 178.814 178.563 0.251 18115
5442 1 13 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.741 0.255 18115
5443 1 13 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.424 0.596 18115
5444 1 13 . 1 1 64 64 LEU H H 599 7.800 7.800 8.333 -0.533 18115
5445 1 13 . 1 1 65 65 GLU N N 600 122.446 122.446 119.726 2.720 18115
5446 1 13 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.035 0.131 18115
5447 1 13 . 1 1 65 65 GLU C C 600 178.550 178.550 179.418 -0.868 18115
5448 1 13 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.528 0.203 18115
5449 1 13 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.408 0.861 18115
5450 1 13 . 1 1 65 65 GLU H H 600 8.948 8.948 8.360 0.588 18115
5451 1 13 . 1 1 66 66 GLN N N 601 116.068 116.068 117.651 -1.583 18115
5452 1 13 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.050 -0.099 18115
5453 1 13 . 1 1 66 66 GLN C C 601 178.277 178.277 178.347 -0.070 18115
5454 1 13 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.349 0.177 18115
5455 1 13 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.332 0.289 18115
5456 1 13 . 1 1 66 66 GLN H H 601 8.109 8.109 7.867 0.242 18115
5457 1 13 . 1 1 67 67 VAL N N 602 116.121 116.121 119.325 -3.204 18115
5458 1 13 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.919 -0.114 18115
5459 1 13 . 1 1 67 67 VAL C C 602 177.423 177.423 177.169 0.254 18115
5460 1 13 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.229 0.876 18115
5461 1 13 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.079 1.098 18115
5462 1 13 . 1 1 67 67 VAL H H 602 7.171 7.171 7.653 -0.482 18115
5463 1 13 . 1 1 68 68 CYS N N 603 114.504 114.504 114.796 -0.292 18115
5464 1 13 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.298 -0.300 18115
5465 1 13 . 1 1 68 68 CYS C C 603 176.503 176.503 176.584 -0.081 18115
5466 1 13 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.042 3.283 18115
5467 1 13 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.367 0.298 18115
5468 1 13 . 1 1 68 68 CYS H H 603 8.138 8.138 8.122 0.016 18115
5469 1 13 . 1 1 69 69 ASN N N 604 119.915 119.915 121.633 -1.718 18115
5470 1 13 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.512 0.062 18115
5471 1 13 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.507 0.308 18115
5472 1 13 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.416 -0.601 18115
5473 1 13 . 1 1 69 69 ASN H H 604 9.045 9.045 8.875 0.170 18115
5474 1 13 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.283 -0.012 18115
5475 1 13 . 1 1 70 70 PRO C C 605 177.471 177.471 177.010 0.461 18115
5476 1 13 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.443 0.227 18115
5477 1 13 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.488 0.100 18115
5478 1 13 . 1 1 71 71 ILE N N 606 115.752 115.752 114.484 1.268 18115
5479 1 13 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.073 -0.255 18115
5480 1 13 . 1 1 71 71 ILE C C 606 177.032 177.032 177.946 -0.914 18115
5481 1 13 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.691 -0.373 18115
5482 1 13 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.416 1.208 18115
5483 1 13 . 1 1 71 71 ILE H H 606 6.851 6.851 7.418 -0.567 18115
5484 1 13 . 1 1 72 72 ILE N N 607 116.042 116.042 122.616 -6.574 18115
5485 1 13 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.782 0.224 18115
5486 1 13 . 1 1 72 72 ILE C C 607 177.236 177.236 178.411 -1.175 18115
5487 1 13 . 1 1 72 72 ILE CA C 607 61.726 61.726 64.078 -2.352 18115
5488 1 13 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.746 0.556 18115
5489 1 13 . 1 1 72 72 ILE H H 607 8.032 8.032 8.744 -0.712 18115
5490 1 13 . 1 1 73 73 SER N N 608 115.855 115.855 116.389 -0.534 18115
5491 1 13 . 1 1 73 73 SER HA H 608 4.277 4.277 4.307 -0.030 18115
5492 1 13 . 1 1 73 73 SER C C 608 175.111 175.111 175.960 -0.849 18115
5493 1 13 . 1 1 73 73 SER CA C 608 60.134 60.134 61.190 -1.056 18115
5494 1 13 . 1 1 73 73 SER CB C 608 63.480 63.480 62.784 0.696 18115
5495 1 13 . 1 1 73 73 SER H H 608 8.001 8.001 8.616 -0.615 18115
5496 1 13 . 1 1 74 74 GLY N N 609 109.991 109.991 109.340 0.651 18115
5497 1 13 . 1 1 74 74 GLY C C 609 173.508 173.508 173.951 -0.443 18115
5498 1 13 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.928 0.387 18115
5499 1 13 . 1 1 74 74 GLY H H 609 7.924 7.924 7.680 0.244 18115
5500 1 14 . 1 1 3 3 ALA N N 538 127.340 127.340 130.776 -3.436 18115
5501 1 14 . 1 1 3 3 ALA HA H 538 4.107 4.107 4.073 0.034 18115
5502 1 14 . 1 1 3 3 ALA C C 538 179.658 179.658 178.481 1.177 18115
5503 1 14 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.294 0.497 18115
5504 1 14 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.892 -0.285 18115
5505 1 14 . 1 1 3 3 ALA H H 538 8.781 8.781 8.731 0.050 18115
5506 1 14 . 1 1 4 4 LYS N N 539 120.439 120.439 117.788 2.651 18115
5507 1 14 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.363 -0.098 18115
5508 1 14 . 1 1 4 4 LYS C C 539 177.428 177.428 177.968 -0.540 18115
5509 1 14 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.715 1.026 18115
5510 1 14 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.742 0.499 18115
5511 1 14 . 1 1 4 4 LYS H H 539 8.006 8.006 7.200 0.806 18115
5512 1 14 . 1 1 5 5 ASN N N 540 117.109 117.109 118.130 -1.021 18115
5513 1 14 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.350 0.031 18115
5514 1 14 . 1 1 5 5 ASN C C 540 177.598 177.598 177.586 0.012 18115
5515 1 14 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.077 -0.319 18115
5516 1 14 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.763 0.523 18115
5517 1 14 . 1 1 5 5 ASN H H 540 7.789 7.789 7.454 0.335 18115
5518 1 14 . 1 1 6 6 ALA N N 541 122.489 122.489 123.530 -1.041 18115
5519 1 14 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.145 -0.041 18115
5520 1 14 . 1 1 6 6 ALA C C 541 180.393 180.393 179.888 0.505 18115
5521 1 14 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.173 -0.137 18115
5522 1 14 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.409 -0.254 18115
5523 1 14 . 1 1 6 6 ALA H H 541 8.209 8.209 8.315 -0.106 18115
5524 1 14 . 1 1 7 7 LEU N N 542 120.603 120.603 119.940 0.663 18115
5525 1 14 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.065 0.128 18115
5526 1 14 . 1 1 7 7 LEU C C 542 177.015 177.015 179.107 -2.092 18115
5527 1 14 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.234 -0.279 18115
5528 1 14 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.896 0.327 18115
5529 1 14 . 1 1 7 7 LEU H H 542 7.775 7.775 8.453 -0.678 18115
5530 1 14 . 1 1 8 8 GLU N N 543 119.550 119.550 119.684 -0.134 18115
5531 1 14 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.134 -0.579 18115
5532 1 14 . 1 1 8 8 GLU C C 543 177.949 177.949 179.176 -1.227 18115
5533 1 14 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.138 0.174 18115
5534 1 14 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.860 0.565 18115
5535 1 14 . 1 1 8 8 GLU H H 543 8.418 8.418 8.841 -0.423 18115
5536 1 14 . 1 1 9 9 SER N N 544 112.181 112.181 116.740 -4.559 18115
5537 1 14 . 1 1 9 9 SER HA H 544 4.192 4.192 4.219 -0.027 18115
5538 1 14 . 1 1 9 9 SER C C 544 176.285 176.285 176.677 -0.392 18115
5539 1 14 . 1 1 9 9 SER CA C 544 61.890 61.890 62.340 -0.450 18115
5540 1 14 . 1 1 9 9 SER CB C 544 63.000 63.000 63.056 -0.056 18115
5541 1 14 . 1 1 9 9 SER H H 544 8.313 8.313 8.215 0.098 18115
5542 1 14 . 1 1 10 10 TYR N N 545 122.309 122.309 123.372 -1.063 18115
5543 1 14 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.129 0.260 18115
5544 1 14 . 1 1 10 10 TYR C C 545 177.193 177.193 177.105 0.088 18115
5545 1 14 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.482 -0.140 18115
5546 1 14 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.316 0.571 18115
5547 1 14 . 1 1 10 10 TYR H H 545 7.811 7.811 8.488 -0.677 18115
5548 1 14 . 1 1 11 11 ALA N N 546 120.404 120.404 122.162 -1.758 18115
5549 1 14 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.187 -0.398 18115
5550 1 14 . 1 1 11 11 ALA C C 546 179.480 179.480 180.159 -0.679 18115
5551 1 14 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.880 0.808 18115
5552 1 14 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.190 -0.564 18115
5553 1 14 . 1 1 11 11 ALA H H 546 8.456 8.456 8.673 -0.217 18115
5554 1 14 . 1 1 12 12 PHE N N 547 116.158 116.158 119.102 -2.944 18115
5555 1 14 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.105 0.040 18115
5556 1 14 . 1 1 12 12 PHE C C 547 179.133 179.133 177.828 1.305 18115
5557 1 14 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.660 -1.247 18115
5558 1 14 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.756 -0.476 18115
5559 1 14 . 1 1 12 12 PHE H H 547 8.430 8.430 9.049 -0.619 18115
5560 1 14 . 1 1 13 13 ASN N N 548 120.231 120.231 118.516 1.715 18115
5561 1 14 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.461 -0.042 18115
5562 1 14 . 1 1 13 13 ASN C C 548 178.326 178.326 177.969 0.357 18115
5563 1 14 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.338 -0.386 18115
5564 1 14 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.097 -0.143 18115
5565 1 14 . 1 1 13 13 ASN H H 548 8.654 8.654 8.724 -0.070 18115
5566 1 14 . 1 1 14 14 MET N N 549 121.990 121.990 118.640 3.350 18115
5567 1 14 . 1 1 14 14 MET HA H 549 4.278 4.278 4.211 0.067 18115
5568 1 14 . 1 1 14 14 MET C C 549 176.929 176.929 178.247 -1.318 18115
5569 1 14 . 1 1 14 14 MET CA C 549 57.182 57.182 57.785 -0.603 18115
5570 1 14 . 1 1 14 14 MET CB C 549 32.998 32.998 31.807 1.191 18115
5571 1 14 . 1 1 14 14 MET H H 549 8.331 8.331 8.372 -0.041 18115
5572 1 14 . 1 1 15 15 LYS N N 550 119.946 119.946 120.929 -0.983 18115
5573 1 14 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.877 -0.162 18115
5574 1 14 . 1 1 15 15 LYS C C 550 177.879 177.879 179.028 -1.149 18115
5575 1 14 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.180 -0.209 18115
5576 1 14 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.148 0.662 18115
5577 1 14 . 1 1 15 15 LYS H H 550 7.731 7.731 8.474 -0.743 18115
5578 1 14 . 1 1 16 16 SER N N 551 111.477 111.477 114.998 -3.521 18115
5579 1 14 . 1 1 16 16 SER HA H 551 4.093 4.093 4.227 -0.134 18115
5580 1 14 . 1 1 16 16 SER C C 551 177.031 177.031 176.041 0.990 18115
5581 1 14 . 1 1 16 16 SER CA C 551 61.173 61.173 60.781 0.392 18115
5582 1 14 . 1 1 16 16 SER CB C 551 63.007 63.007 62.937 0.070 18115
5583 1 14 . 1 1 16 16 SER H H 551 7.766 7.766 8.394 -0.628 18115
5584 1 14 . 1 1 17 17 ALA N N 552 123.689 123.689 122.029 1.660 18115
5585 1 14 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.153 -0.070 18115
5586 1 14 . 1 1 17 17 ALA C C 552 180.384 180.384 180.274 0.110 18115
5587 1 14 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.624 0.664 18115
5588 1 14 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.798 -0.633 18115
5589 1 14 . 1 1 17 17 ALA H H 552 8.089 8.089 7.808 0.281 18115
5590 1 14 . 1 1 18 18 VAL N N 553 109.294 109.294 114.490 -5.196 18115
5591 1 14 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.851 0.165 18115
5592 1 14 . 1 1 18 18 VAL C C 553 176.352 176.352 177.699 -1.347 18115
5593 1 14 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.273 -1.515 18115
5594 1 14 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.740 -0.088 18115
5595 1 14 . 1 1 18 18 VAL H H 553 7.560 7.560 7.817 -0.257 18115
5596 1 14 . 1 1 19 19 GLU N N 554 118.414 118.414 117.736 0.678 18115
5597 1 14 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.332 -0.117 18115
5598 1 14 . 1 1 19 19 GLU C C 554 176.794 176.794 176.111 0.683 18115
5599 1 14 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.191 0.553 18115
5600 1 14 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.269 0.890 18115
5601 1 14 . 1 1 19 19 GLU H H 554 7.389 7.389 7.897 -0.508 18115
5602 1 14 . 1 1 20 20 ASP N N 555 120.735 120.735 120.849 -0.114 18115
5603 1 14 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.541 -0.174 18115
5604 1 14 . 1 1 20 20 ASP C C 555 178.171 178.171 176.940 1.231 18115
5605 1 14 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.681 1.186 18115
5606 1 14 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.310 0.564 18115
5607 1 14 . 1 1 20 20 ASP H H 555 7.224 7.224 7.291 -0.067 18115
5608 1 14 . 1 1 21 21 GLU N N 556 126.927 126.927 124.409 2.518 18115
5609 1 14 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.105 -0.124 18115
5610 1 14 . 1 1 21 21 GLU C C 556 178.691 178.691 176.961 1.730 18115
5611 1 14 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.729 1.415 18115
5612 1 14 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.049 0.501 18115
5613 1 14 . 1 1 21 21 GLU H H 556 9.007 9.007 8.683 0.324 18115
5614 1 14 . 1 1 22 22 GLY N N 557 108.255 108.255 106.478 1.777 18115
5615 1 14 . 1 1 22 22 GLY C C 557 175.344 175.344 175.246 0.098 18115
5616 1 14 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.196 1.212 18115
5617 1 14 . 1 1 22 22 GLY H H 557 9.031 9.031 8.509 0.522 18115
5618 1 14 . 1 1 23 23 LEU N N 558 119.463 119.463 121.436 -1.973 18115
5619 1 14 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.419 -0.073 18115
5620 1 14 . 1 1 23 23 LEU C C 558 177.893 177.893 175.980 1.913 18115
5621 1 14 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.378 0.542 18115
5622 1 14 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.498 -0.112 18115
5623 1 14 . 1 1 23 23 LEU H H 558 7.606 7.606 7.675 -0.069 18115
5624 1 14 . 1 1 24 24 LYS N N 559 120.994 120.994 118.981 2.013 18115
5625 1 14 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.124 -0.052 18115
5626 1 14 . 1 1 24 24 LYS C C 559 177.830 177.830 177.141 0.689 18115
5627 1 14 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.489 0.988 18115
5628 1 14 . 1 1 24 24 LYS CB C 559 32.359 32.359 32.286 0.073 18115
5629 1 14 . 1 1 24 24 LYS H H 559 7.572 7.572 7.453 0.119 18115
5630 1 14 . 1 1 25 25 GLY N N 560 111.895 111.895 115.097 -3.202 18115
5631 1 14 . 1 1 25 25 GLY C C 560 174.451 174.451 175.399 -0.948 18115
5632 1 14 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.614 -0.028 18115
5633 1 14 . 1 1 25 25 GLY H H 560 8.770 8.770 8.663 0.107 18115
5634 1 14 . 1 1 26 26 LYS N N 561 118.925 118.925 121.143 -2.218 18115
5635 1 14 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.237 0.099 18115
5636 1 14 . 1 1 26 26 LYS C C 561 175.860 175.860 177.048 -1.188 18115
5637 1 14 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.614 -0.748 18115
5638 1 14 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.057 1.144 18115
5639 1 14 . 1 1 26 26 LYS H H 561 8.116 8.116 7.754 0.362 18115
5640 1 14 . 1 1 27 27 ILE N N 562 116.463 116.463 120.013 -3.550 18115
5641 1 14 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.212 0.286 18115
5642 1 14 . 1 1 27 27 ILE C C 562 174.838 174.838 174.232 0.606 18115
5643 1 14 . 1 1 27 27 ILE CA C 562 59.388 59.388 60.261 -0.873 18115
5644 1 14 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.192 0.477 18115
5645 1 14 . 1 1 27 27 ILE H H 562 7.430 7.430 7.401 0.029 18115
5646 1 14 . 1 1 28 28 SER N N 563 124.501 124.501 122.135 2.366 18115
5647 1 14 . 1 1 28 28 SER HA H 563 4.404 4.404 4.588 -0.184 18115
5648 1 14 . 1 1 28 28 SER C C 563 174.870 174.870 175.168 -0.298 18115
5649 1 14 . 1 1 28 28 SER CA C 563 57.432 57.432 57.392 0.040 18115
5650 1 14 . 1 1 28 28 SER CB C 563 64.793 64.793 64.178 0.615 18115
5651 1 14 . 1 1 28 28 SER H H 563 9.375 9.375 8.704 0.671 18115
5652 1 14 . 1 1 29 29 GLU N N 564 122.048 122.048 125.078 -3.030 18115
5653 1 14 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.999 -0.099 18115
5654 1 14 . 1 1 29 29 GLU C C 564 179.396 179.396 178.480 0.916 18115
5655 1 14 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.637 0.077 18115
5656 1 14 . 1 1 29 29 GLU CB C 564 29.218 29.218 28.770 0.448 18115
5657 1 14 . 1 1 29 29 GLU H H 564 8.970 8.970 8.965 0.005 18115
5658 1 14 . 1 1 30 30 ALA N N 565 120.829 120.829 121.540 -0.711 18115
5659 1 14 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.049 -0.003 18115
5660 1 14 . 1 1 30 30 ALA C C 565 180.524 180.524 179.804 0.720 18115
5661 1 14 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.138 -0.100 18115
5662 1 14 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.764 0.699 18115
5663 1 14 . 1 1 30 30 ALA H H 565 8.465 8.465 8.473 -0.008 18115
5664 1 14 . 1 1 31 31 ASP N N 566 121.111 121.111 119.082 2.029 18115
5665 1 14 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.331 0.108 18115
5666 1 14 . 1 1 31 31 ASP C C 566 177.738 177.738 178.538 -0.800 18115
5667 1 14 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.668 -0.362 18115
5668 1 14 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.503 -0.548 18115
5669 1 14 . 1 1 31 31 ASP H H 566 7.835 7.835 7.737 0.098 18115
5670 1 14 . 1 1 32 32 LYS N N 567 121.278 121.278 121.293 -0.015 18115
5671 1 14 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.859 -0.266 18115
5672 1 14 . 1 1 32 32 LYS C C 567 177.700 177.700 178.900 -1.200 18115
5673 1 14 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.869 0.684 18115
5674 1 14 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.410 0.186 18115
5675 1 14 . 1 1 32 32 LYS H H 567 8.379 8.379 8.172 0.207 18115
5676 1 14 . 1 1 33 33 LYS N N 568 117.531 117.531 118.440 -0.909 18115
5677 1 14 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.964 -0.125 18115
5678 1 14 . 1 1 33 33 LYS C C 568 177.391 177.391 178.958 -1.567 18115
5679 1 14 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.878 -0.471 18115
5680 1 14 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.501 -0.020 18115
5681 1 14 . 1 1 33 33 LYS H H 568 7.846 7.846 8.445 -0.599 18115
5682 1 14 . 1 1 34 34 LYS N N 569 118.376 118.376 119.883 -1.507 18115
5683 1 14 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.036 -0.037 18115
5684 1 14 . 1 1 34 34 LYS C C 569 180.064 180.064 178.939 1.125 18115
5685 1 14 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.329 0.624 18115
5686 1 14 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.235 0.619 18115
5687 1 14 . 1 1 34 34 LYS H H 569 7.647 7.647 8.020 -0.373 18115
5688 1 14 . 1 1 35 35 VAL N N 570 118.353 118.353 120.964 -2.611 18115
5689 1 14 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.744 -0.270 18115
5690 1 14 . 1 1 35 35 VAL C C 570 178.019 178.019 177.402 0.617 18115
5691 1 14 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.899 1.053 18115
5692 1 14 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.096 0.437 18115
5693 1 14 . 1 1 35 35 VAL H H 570 7.638 7.638 7.999 -0.361 18115
5694 1 14 . 1 1 36 36 LEU N N 571 120.671 120.671 121.334 -0.663 18115
5695 1 14 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.823 -0.033 18115
5696 1 14 . 1 1 36 36 LEU C C 571 180.444 180.444 178.995 1.449 18115
5697 1 14 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.780 0.133 18115
5698 1 14 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.355 -0.147 18115
5699 1 14 . 1 1 36 36 LEU H H 571 8.693 8.693 8.273 0.420 18115
5700 1 14 . 1 1 37 37 ASP N N 572 120.071 120.071 118.856 1.215 18115
5701 1 14 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.279 0.040 18115
5702 1 14 . 1 1 37 37 ASP C C 572 179.345 179.345 178.511 0.834 18115
5703 1 14 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.757 -0.474 18115
5704 1 14 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.877 -1.201 18115
5705 1 14 . 1 1 37 37 ASP H H 572 9.265 9.265 8.228 1.037 18115
5706 1 14 . 1 1 38 38 LYS N N 573 121.858 121.858 120.415 1.443 18115
5707 1 14 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.118 0.142 18115
5708 1 14 . 1 1 38 38 LYS C C 573 178.856 178.856 178.814 0.042 18115
5709 1 14 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.624 -1.563 18115
5710 1 14 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.788 -0.802 18115
5711 1 14 . 1 1 38 38 LYS H H 573 7.674 7.674 8.032 -0.358 18115
5712 1 14 . 1 1 39 39 CYS N N 574 117.635 117.635 118.384 -0.749 18115
5713 1 14 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.060 -0.197 18115
5714 1 14 . 1 1 39 39 CYS C C 574 176.479 176.479 176.967 -0.488 18115
5715 1 14 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.267 1.303 18115
5716 1 14 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.924 -0.244 18115
5717 1 14 . 1 1 39 39 CYS H H 574 8.818 8.818 8.827 -0.009 18115
5718 1 14 . 1 1 40 40 GLN N N 575 118.089 118.089 119.178 -1.089 18115
5719 1 14 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.025 -0.066 18115
5720 1 14 . 1 1 40 40 GLN C C 575 178.023 178.023 178.346 -0.323 18115
5721 1 14 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.752 -0.083 18115
5722 1 14 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.094 -0.004 18115
5723 1 14 . 1 1 40 40 GLN H H 575 8.203 8.203 8.265 -0.062 18115
5724 1 14 . 1 1 41 41 GLU N N 576 121.535 121.535 120.530 1.005 18115
5725 1 14 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.072 -0.080 18115
5726 1 14 . 1 1 41 41 GLU C C 576 179.586 179.586 179.021 0.565 18115
5727 1 14 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.775 0.114 18115
5728 1 14 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.627 0.386 18115
5729 1 14 . 1 1 41 41 GLU H H 576 8.074 8.074 7.864 0.210 18115
5730 1 14 . 1 1 42 42 VAL N N 577 120.038 120.038 120.368 -0.330 18115
5731 1 14 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.837 -0.126 18115
5732 1 14 . 1 1 42 42 VAL C C 577 177.102 177.102 177.999 -0.897 18115
5733 1 14 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.666 1.454 18115
5734 1 14 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.929 -0.397 18115
5735 1 14 . 1 1 42 42 VAL H H 577 8.144 8.144 7.993 0.151 18115
5736 1 14 . 1 1 43 43 ILE N N 578 122.306 122.306 120.394 1.912 18115
5737 1 14 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.750 -0.053 18115
5738 1 14 . 1 1 43 43 ILE C C 578 178.491 178.491 178.048 0.443 18115
5739 1 14 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.176 -0.558 18115
5740 1 14 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.686 0.001 18115
5741 1 14 . 1 1 43 43 ILE H H 578 8.504 8.504 8.657 -0.153 18115
5742 1 14 . 1 1 44 44 SER N N 579 115.928 115.928 115.726 0.202 18115
5743 1 14 . 1 1 44 44 SER HA H 579 4.265 4.265 4.266 -0.001 18115
5744 1 14 . 1 1 44 44 SER C C 579 177.129 177.129 176.419 0.710 18115
5745 1 14 . 1 1 44 44 SER CA C 579 62.208 62.208 61.625 0.583 18115
5746 1 14 . 1 1 44 44 SER CB C 579 62.906 62.906 63.020 -0.114 18115
5747 1 14 . 1 1 44 44 SER H H 579 8.562 8.562 8.294 0.268 18115
5748 1 14 . 1 1 45 45 TRP N N 580 124.917 124.917 124.095 0.822 18115
5749 1 14 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.404 -0.363 18115
5750 1 14 . 1 1 45 45 TRP C C 580 179.278 179.278 177.964 1.314 18115
5751 1 14 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.238 1.267 18115
5752 1 14 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.499 -0.981 18115
5753 1 14 . 1 1 45 45 TRP H H 580 8.406 8.406 8.156 0.249 18115
5754 1 14 . 1 1 46 46 LEU N N 581 122.211 122.211 119.591 2.620 18115
5755 1 14 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.840 -0.184 18115
5756 1 14 . 1 1 46 46 LEU C C 581 179.119 179.119 178.330 0.789 18115
5757 1 14 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.010 0.424 18115
5758 1 14 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.814 0.725 18115
5759 1 14 . 1 1 46 46 LEU H H 581 9.012 9.012 8.610 0.402 18115
5760 1 14 . 1 1 47 47 ASP N N 582 117.724 117.724 116.567 1.157 18115
5761 1 14 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.377 -0.099 18115
5762 1 14 . 1 1 47 47 ASP C C 582 177.154 177.154 177.504 -0.350 18115
5763 1 14 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.609 0.185 18115
5764 1 14 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.233 -0.044 18115
5765 1 14 . 1 1 47 47 ASP H H 582 7.665 7.665 7.794 -0.129 18115
5766 1 14 . 1 1 48 48 ALA N N 583 118.604 118.604 119.844 -1.240 18115
5767 1 14 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.233 0.055 18115
5768 1 14 . 1 1 48 48 ALA C C 583 177.776 177.776 177.616 0.160 18115
5769 1 14 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.438 -1.085 18115
5770 1 14 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.492 0.401 18115
5771 1 14 . 1 1 48 48 ALA H H 583 7.129 7.129 7.130 -0.001 18115
5772 1 14 . 1 1 49 49 ASN N N 584 118.883 118.883 117.025 1.858 18115
5773 1 14 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.824 -0.153 18115
5774 1 14 . 1 1 49 49 ASN C C 584 174.761 174.761 175.344 -0.583 18115
5775 1 14 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.226 0.622 18115
5776 1 14 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.417 -0.449 18115
5777 1 14 . 1 1 49 49 ASN H H 584 7.284 7.284 7.895 -0.611 18115
5778 1 14 . 1 1 50 50 THR N N 585 112.258 112.258 113.402 -1.144 18115
5779 1 14 . 1 1 50 50 THR HA H 585 3.967 3.967 4.264 -0.297 18115
5780 1 14 . 1 1 50 50 THR C C 585 175.787 175.787 175.205 0.582 18115
5781 1 14 . 1 1 50 50 THR CA C 585 65.175 65.175 63.696 1.480 18115
5782 1 14 . 1 1 50 50 THR CB C 585 69.336 69.336 68.800 0.536 18115
5783 1 14 . 1 1 50 50 THR H H 585 7.615 7.615 8.308 -0.693 18115
5784 1 14 . 1 1 51 51 LEU N N 586 120.550 120.550 119.010 1.540 18115
5785 1 14 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.552 -0.009 18115
5786 1 14 . 1 1 51 51 LEU C C 586 176.635 176.635 176.930 -0.295 18115
5787 1 14 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.773 0.188 18115
5788 1 14 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.712 0.360 18115
5789 1 14 . 1 1 51 51 LEU H H 586 8.254 8.254 7.655 0.599 18115
5790 1 14 . 1 1 52 52 ALA N N 587 123.048 123.048 122.895 0.153 18115
5791 1 14 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.155 -0.079 18115
5792 1 14 . 1 1 52 52 ALA C C 587 176.356 176.356 177.454 -1.098 18115
5793 1 14 . 1 1 52 52 ALA CA C 587 52.596 52.596 51.812 0.784 18115
5794 1 14 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.342 0.089 18115
5795 1 14 . 1 1 52 52 ALA H H 587 7.124 7.124 7.095 0.029 18115
5796 1 14 . 1 1 53 53 GLU N N 588 118.471 118.471 120.413 -1.942 18115
5797 1 14 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.419 -0.059 18115
5798 1 14 . 1 1 53 53 GLU C C 588 177.945 177.945 178.256 -0.311 18115
5799 1 14 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.987 -0.250 18115
5800 1 14 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.407 0.792 18115
5801 1 14 . 1 1 53 53 GLU H H 588 8.429 8.429 8.321 0.108 18115
5802 1 14 . 1 1 54 54 LYS N N 589 121.635 121.635 121.636 -0.001 18115
5803 1 14 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.175 -0.025 18115
5804 1 14 . 1 1 54 54 LYS C C 589 178.445 178.445 177.788 0.657 18115
5805 1 14 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.295 0.412 18115
5806 1 14 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.088 0.702 18115
5807 1 14 . 1 1 54 54 LYS H H 589 8.763 8.763 8.744 0.019 18115
5808 1 14 . 1 1 55 55 ASP N N 590 116.537 116.537 117.181 -0.644 18115
5809 1 14 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.544 -0.224 18115
5810 1 14 . 1 1 55 55 ASP C C 590 178.649 178.649 178.494 0.155 18115
5811 1 14 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.116 -0.104 18115
5812 1 14 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.746 0.343 18115
5813 1 14 . 1 1 55 55 ASP H H 590 8.814 8.814 8.908 -0.094 18115
5814 1 14 . 1 1 56 56 GLU N N 591 119.611 119.611 120.876 -1.265 18115
5815 1 14 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.248 -0.183 18115
5816 1 14 . 1 1 56 56 GLU C C 591 179.582 179.582 179.088 0.494 18115
5817 1 14 . 1 1 56 56 GLU CA C 591 59.513 59.513 58.840 0.673 18115
5818 1 14 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.059 0.754 18115
5819 1 14 . 1 1 56 56 GLU H H 591 7.785 7.785 7.661 0.124 18115
5820 1 14 . 1 1 57 57 PHE N N 592 117.509 117.509 119.038 -1.529 18115
5821 1 14 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.421 -0.196 18115
5822 1 14 . 1 1 57 57 PHE C C 592 178.436 178.436 178.221 0.215 18115
5823 1 14 . 1 1 57 57 PHE CA C 592 61.611 61.611 62.096 -0.485 18115
5824 1 14 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.636 0.198 18115
5825 1 14 . 1 1 57 57 PHE H H 592 7.443 7.443 7.867 -0.424 18115
5826 1 14 . 1 1 58 58 GLU N N 593 118.501 118.501 118.808 -0.307 18115
5827 1 14 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.954 0.180 18115
5828 1 14 . 1 1 58 58 GLU C C 593 178.855 178.855 178.936 -0.081 18115
5829 1 14 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.652 -0.668 18115
5830 1 14 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.103 -0.036 18115
5831 1 14 . 1 1 58 58 GLU H H 593 7.952 7.952 8.480 -0.528 18115
5832 1 14 . 1 1 59 59 HIS N N 594 118.563 118.563 118.393 0.170 18115
5833 1 14 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.375 -0.162 18115
5834 1 14 . 1 1 59 59 HIS C C 594 177.856 177.856 177.164 0.692 18115
5835 1 14 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.349 -0.081 18115
5836 1 14 . 1 1 59 59 HIS CB C 594 29.037 29.037 30.101 -1.064 18115
5837 1 14 . 1 1 59 59 HIS H H 594 8.126 8.126 8.444 -0.318 18115
5838 1 14 . 1 1 60 60 LYS N N 595 119.034 119.034 121.292 -2.258 18115
5839 1 14 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.653 0.041 18115
5840 1 14 . 1 1 60 60 LYS C C 595 178.057 178.057 178.630 -0.573 18115
5841 1 14 . 1 1 60 60 LYS CA C 595 57.147 57.147 57.847 -0.700 18115
5842 1 14 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.456 -0.679 18115
5843 1 14 . 1 1 60 60 LYS H H 595 7.733 7.733 7.650 0.083 18115
5844 1 14 . 1 1 61 61 ARG N N 596 120.071 120.071 119.114 0.957 18115
5845 1 14 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.695 -0.047 18115
5846 1 14 . 1 1 61 61 ARG C C 596 177.921 177.921 178.172 -0.251 18115
5847 1 14 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.773 0.405 18115
5848 1 14 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.959 -0.154 18115
5849 1 14 . 1 1 61 61 ARG H H 596 8.167 8.167 8.543 -0.376 18115
5850 1 14 . 1 1 62 62 LYS N N 597 118.731 118.731 118.381 0.350 18115
5851 1 14 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.014 -0.128 18115
5852 1 14 . 1 1 62 62 LYS C C 597 178.963 178.963 178.949 0.014 18115
5853 1 14 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.356 0.881 18115
5854 1 14 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.541 0.358 18115
5855 1 14 . 1 1 62 62 LYS H H 597 7.948 7.948 7.594 0.354 18115
5856 1 14 . 1 1 63 63 GLU N N 598 118.881 118.881 120.605 -1.724 18115
5857 1 14 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.913 -0.037 18115
5858 1 14 . 1 1 63 63 GLU C C 598 179.408 179.408 179.027 0.381 18115
5859 1 14 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.260 0.125 18115
5860 1 14 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.432 0.971 18115
5861 1 14 . 1 1 63 63 GLU H H 598 7.794 7.794 7.716 0.078 18115
5862 1 14 . 1 1 64 64 LEU N N 599 119.904 119.904 120.469 -0.565 18115
5863 1 14 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.947 0.123 18115
5864 1 14 . 1 1 64 64 LEU C C 599 178.814 178.814 178.348 0.466 18115
5865 1 14 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.529 0.467 18115
5866 1 14 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.382 0.638 18115
5867 1 14 . 1 1 64 64 LEU H H 599 7.800 7.800 8.348 -0.548 18115
5868 1 14 . 1 1 65 65 GLU N N 600 122.446 122.446 120.240 2.206 18115
5869 1 14 . 1 1 65 65 GLU HA H 600 4.166 4.166 3.988 0.178 18115
5870 1 14 . 1 1 65 65 GLU C C 600 178.550 178.550 179.287 -0.737 18115
5871 1 14 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.655 0.076 18115
5872 1 14 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.540 0.729 18115
5873 1 14 . 1 1 65 65 GLU H H 600 8.948 8.948 8.427 0.521 18115
5874 1 14 . 1 1 66 66 GLN N N 601 116.068 116.068 117.914 -1.846 18115
5875 1 14 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.066 -0.115 18115
5876 1 14 . 1 1 66 66 GLN C C 601 178.277 178.277 178.207 0.070 18115
5877 1 14 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.339 0.187 18115
5878 1 14 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.775 -0.153 18115
5879 1 14 . 1 1 66 66 GLN H H 601 8.109 8.109 7.996 0.113 18115
5880 1 14 . 1 1 67 67 VAL N N 602 116.121 116.121 119.578 -3.457 18115
5881 1 14 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.920 -0.115 18115
5882 1 14 . 1 1 67 67 VAL C C 602 177.423 177.423 177.019 0.404 18115
5883 1 14 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.477 0.628 18115
5884 1 14 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.145 1.032 18115
5885 1 14 . 1 1 67 67 VAL H H 602 7.171 7.171 7.620 -0.449 18115
5886 1 14 . 1 1 68 68 CYS N N 603 114.504 114.504 114.800 -0.296 18115
5887 1 14 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.305 -0.307 18115
5888 1 14 . 1 1 68 68 CYS C C 603 176.503 176.503 176.467 0.036 18115
5889 1 14 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.316 3.009 18115
5890 1 14 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.329 0.336 18115
5891 1 14 . 1 1 68 68 CYS H H 603 8.138 8.138 8.347 -0.209 18115
5892 1 14 . 1 1 69 69 ASN N N 604 119.915 119.915 121.406 -1.491 18115
5893 1 14 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.520 0.054 18115
5894 1 14 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.538 0.277 18115
5895 1 14 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.446 -0.631 18115
5896 1 14 . 1 1 69 69 ASN H H 604 9.045 9.045 8.668 0.377 18115
5897 1 14 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.287 -0.016 18115
5898 1 14 . 1 1 70 70 PRO C C 605 177.471 177.471 177.133 0.338 18115
5899 1 14 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.546 0.124 18115
5900 1 14 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.530 0.058 18115
5901 1 14 . 1 1 71 71 ILE N N 606 115.752 115.752 114.824 0.928 18115
5902 1 14 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.060 -0.242 18115
5903 1 14 . 1 1 71 71 ILE C C 606 177.032 177.032 178.002 -0.970 18115
5904 1 14 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.854 -0.536 18115
5905 1 14 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.321 1.303 18115
5906 1 14 . 1 1 71 71 ILE H H 606 6.851 6.851 7.399 -0.548 18115
5907 1 14 . 1 1 72 72 ILE N N 607 116.042 116.042 122.748 -6.706 18115
5908 1 14 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.801 0.205 18115
5909 1 14 . 1 1 72 72 ILE C C 607 177.236 177.236 178.287 -1.051 18115
5910 1 14 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.952 -2.226 18115
5911 1 14 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.800 0.502 18115
5912 1 14 . 1 1 72 72 ILE H H 607 8.032 8.032 8.852 -0.820 18115
5913 1 14 . 1 1 73 73 SER N N 608 115.855 115.855 116.301 -0.446 18115
5914 1 14 . 1 1 73 73 SER HA H 608 4.277 4.277 4.324 -0.047 18115
5915 1 14 . 1 1 73 73 SER C C 608 175.111 175.111 175.812 -0.701 18115
5916 1 14 . 1 1 73 73 SER CA C 608 60.134 60.134 60.971 -0.837 18115
5917 1 14 . 1 1 73 73 SER CB C 608 63.480 63.480 62.778 0.702 18115
5918 1 14 . 1 1 73 73 SER H H 608 8.001 8.001 8.633 -0.632 18115
5919 1 14 . 1 1 74 74 GLY N N 609 109.991 109.991 109.312 0.679 18115
5920 1 14 . 1 1 74 74 GLY C C 609 173.508 173.508 173.488 0.020 18115
5921 1 14 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.899 0.416 18115
5922 1 14 . 1 1 74 74 GLY H H 609 7.924 7.924 7.661 0.263 18115
5923 1 15 . 1 1 3 3 ALA N N 538 127.340 127.340 124.382 2.958 18115
5924 1 15 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.959 0.148 18115
5925 1 15 . 1 1 3 3 ALA C C 538 179.658 179.658 178.862 0.796 18115
5926 1 15 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.686 0.105 18115
5927 1 15 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.373 0.234 18115
5928 1 15 . 1 1 3 3 ALA H H 538 8.781 8.781 8.354 0.427 18115
5929 1 15 . 1 1 4 4 LYS N N 539 120.439 120.439 117.597 2.842 18115
5930 1 15 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.395 -0.130 18115
5931 1 15 . 1 1 4 4 LYS C C 539 177.428 177.428 178.468 -1.040 18115
5932 1 15 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.558 1.183 18115
5933 1 15 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.532 0.710 18115
5934 1 15 . 1 1 4 4 LYS H H 539 8.006 8.006 7.746 0.260 18115
5935 1 15 . 1 1 5 5 ASN N N 540 117.109 117.109 117.775 -0.666 18115
5936 1 15 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.438 -0.057 18115
5937 1 15 . 1 1 5 5 ASN C C 540 177.598 177.598 177.614 -0.016 18115
5938 1 15 . 1 1 5 5 ASN CA C 540 55.758 55.758 55.913 -0.155 18115
5939 1 15 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.804 0.481 18115
5940 1 15 . 1 1 5 5 ASN H H 540 7.789 7.789 7.572 0.217 18115
5941 1 15 . 1 1 6 6 ALA N N 541 122.489 122.489 123.348 -0.859 18115
5942 1 15 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.036 0.068 18115
5943 1 15 . 1 1 6 6 ALA C C 541 180.393 180.393 179.257 1.136 18115
5944 1 15 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.179 -0.143 18115
5945 1 15 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.618 -0.463 18115
5946 1 15 . 1 1 6 6 ALA H H 541 8.209 8.209 7.533 0.676 18115
5947 1 15 . 1 1 7 7 LEU N N 542 120.603 120.603 119.982 0.621 18115
5948 1 15 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.106 0.087 18115
5949 1 15 . 1 1 7 7 LEU C C 542 177.015 177.015 178.955 -1.940 18115
5950 1 15 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.107 -0.152 18115
5951 1 15 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.914 0.309 18115
5952 1 15 . 1 1 7 7 LEU H H 542 7.775 7.775 8.624 -0.849 18115
5953 1 15 . 1 1 8 8 GLU N N 543 119.550 119.550 120.108 -0.558 18115
5954 1 15 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.077 -0.522 18115
5955 1 15 . 1 1 8 8 GLU C C 543 177.949 177.949 179.268 -1.319 18115
5956 1 15 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.173 0.139 18115
5957 1 15 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.675 0.750 18115
5958 1 15 . 1 1 8 8 GLU H H 543 8.418 8.418 8.437 -0.019 18115
5959 1 15 . 1 1 9 9 SER N N 544 112.181 112.181 115.766 -3.585 18115
5960 1 15 . 1 1 9 9 SER HA H 544 4.192 4.192 4.178 0.014 18115
5961 1 15 . 1 1 9 9 SER C C 544 176.285 176.285 176.790 -0.505 18115
5962 1 15 . 1 1 9 9 SER CA C 544 61.890 61.890 62.078 -0.188 18115
5963 1 15 . 1 1 9 9 SER CB C 544 63.000 63.000 63.112 -0.112 18115
5964 1 15 . 1 1 9 9 SER H H 544 8.313 8.313 8.148 0.165 18115
5965 1 15 . 1 1 10 10 TYR N N 545 122.309 122.309 123.102 -0.793 18115
5966 1 15 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.220 0.169 18115
5967 1 15 . 1 1 10 10 TYR C C 545 177.193 177.193 177.352 -0.159 18115
5968 1 15 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.532 -0.190 18115
5969 1 15 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.213 0.674 18115
5970 1 15 . 1 1 10 10 TYR H H 545 7.811 7.811 8.511 -0.700 18115
5971 1 15 . 1 1 11 11 ALA N N 546 120.404 120.404 122.129 -1.725 18115
5972 1 15 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.178 -0.389 18115
5973 1 15 . 1 1 11 11 ALA C C 546 179.480 179.480 179.678 -0.198 18115
5974 1 15 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.932 0.756 18115
5975 1 15 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.210 -0.584 18115
5976 1 15 . 1 1 11 11 ALA H H 546 8.456 8.456 8.584 -0.128 18115
5977 1 15 . 1 1 12 12 PHE N N 547 116.158 116.158 118.617 -2.459 18115
5978 1 15 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.071 0.074 18115
5979 1 15 . 1 1 12 12 PHE C C 547 179.133 179.133 177.909 1.224 18115
5980 1 15 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.640 -1.227 18115
5981 1 15 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.720 -0.440 18115
5982 1 15 . 1 1 12 12 PHE H H 547 8.430 8.430 8.970 -0.540 18115
5983 1 15 . 1 1 13 13 ASN N N 548 120.231 120.231 117.859 2.372 18115
5984 1 15 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.337 0.082 18115
5985 1 15 . 1 1 13 13 ASN C C 548 178.326 178.326 177.586 0.740 18115
5986 1 15 . 1 1 13 13 ASN CA C 548 55.952 55.952 57.139 -1.187 18115
5987 1 15 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.388 -0.434 18115
5988 1 15 . 1 1 13 13 ASN H H 548 8.654 8.654 8.944 -0.290 18115
5989 1 15 . 1 1 14 14 MET N N 549 121.990 121.990 118.392 3.598 18115
5990 1 15 . 1 1 14 14 MET HA H 549 4.278 4.278 4.163 0.115 18115
5991 1 15 . 1 1 14 14 MET C C 549 176.929 176.929 178.065 -1.136 18115
5992 1 15 . 1 1 14 14 MET CA C 549 57.182 57.182 57.590 -0.409 18115
5993 1 15 . 1 1 14 14 MET CB C 549 32.998 32.998 31.800 1.198 18115
5994 1 15 . 1 1 14 14 MET H H 549 8.331 8.331 8.299 0.032 18115
5995 1 15 . 1 1 15 15 LYS N N 550 119.946 119.946 120.557 -0.611 18115
5996 1 15 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.884 -0.169 18115
5997 1 15 . 1 1 15 15 LYS C C 550 177.879 177.879 178.880 -1.001 18115
5998 1 15 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.023 -0.051 18115
5999 1 15 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.169 0.641 18115
6000 1 15 . 1 1 15 15 LYS H H 550 7.731 7.731 8.369 -0.638 18115
6001 1 15 . 1 1 16 16 SER N N 551 111.477 111.477 114.694 -3.217 18115
6002 1 15 . 1 1 16 16 SER HA H 551 4.093 4.093 4.231 -0.138 18115
6003 1 15 . 1 1 16 16 SER C C 551 177.031 177.031 176.664 0.367 18115
6004 1 15 . 1 1 16 16 SER CA C 551 61.173 61.173 61.192 -0.019 18115
6005 1 15 . 1 1 16 16 SER CB C 551 63.007 63.007 63.152 -0.145 18115
6006 1 15 . 1 1 16 16 SER H H 551 7.766 7.766 8.406 -0.640 18115
6007 1 15 . 1 1 17 17 ALA N N 552 123.689 123.689 123.679 0.010 18115
6008 1 15 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.125 -0.042 18115
6009 1 15 . 1 1 17 17 ALA C C 552 180.384 180.384 179.735 0.649 18115
6010 1 15 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.856 0.432 18115
6011 1 15 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.512 -0.347 18115
6012 1 15 . 1 1 17 17 ALA H H 552 8.089 8.089 7.895 0.194 18115
6013 1 15 . 1 1 18 18 VAL N N 553 109.294 109.294 113.374 -4.080 18115
6014 1 15 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.871 0.145 18115
6015 1 15 . 1 1 18 18 VAL C C 553 176.352 176.352 177.524 -1.172 18115
6016 1 15 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.024 -1.266 18115
6017 1 15 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.975 -0.323 18115
6018 1 15 . 1 1 18 18 VAL H H 553 7.560 7.560 7.613 -0.053 18115
6019 1 15 . 1 1 19 19 GLU N N 554 118.414 118.414 117.568 0.846 18115
6020 1 15 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.265 -0.050 18115
6021 1 15 . 1 1 19 19 GLU C C 554 176.794 176.794 176.416 0.378 18115
6022 1 15 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.252 0.492 18115
6023 1 15 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.578 0.582 18115
6024 1 15 . 1 1 19 19 GLU H H 554 7.389 7.389 7.761 -0.372 18115
6025 1 15 . 1 1 20 20 ASP N N 555 120.735 120.735 120.580 0.155 18115
6026 1 15 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.503 -0.136 18115
6027 1 15 . 1 1 20 20 ASP C C 555 178.171 178.171 177.219 0.952 18115
6028 1 15 . 1 1 20 20 ASP CA C 555 55.867 55.867 53.985 1.882 18115
6029 1 15 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.433 0.441 18115
6030 1 15 . 1 1 20 20 ASP H H 555 7.224 7.224 7.520 -0.296 18115
6031 1 15 . 1 1 21 21 GLU N N 556 126.927 126.927 123.770 3.157 18115
6032 1 15 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.177 -0.196 18115
6033 1 15 . 1 1 21 21 GLU C C 556 178.691 178.691 177.267 1.424 18115
6034 1 15 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.772 1.372 18115
6035 1 15 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.371 0.179 18115
6036 1 15 . 1 1 21 21 GLU H H 556 9.007 9.007 8.797 0.210 18115
6037 1 15 . 1 1 22 22 GLY N N 557 108.255 108.255 105.896 2.359 18115
6038 1 15 . 1 1 22 22 GLY C C 557 175.344 175.344 175.873 -0.529 18115
6039 1 15 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.475 0.933 18115
6040 1 15 . 1 1 22 22 GLY H H 557 9.031 9.031 8.506 0.525 18115
6041 1 15 . 1 1 23 23 LEU N N 558 119.463 119.463 122.761 -3.298 18115
6042 1 15 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.170 0.176 18115
6043 1 15 . 1 1 23 23 LEU C C 558 177.893 177.893 177.759 0.134 18115
6044 1 15 . 1 1 23 23 LEU CA C 558 54.920 54.920 56.248 -1.328 18115
6045 1 15 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.090 0.296 18115
6046 1 15 . 1 1 23 23 LEU H H 558 7.606 7.606 8.565 -0.959 18115
6047 1 15 . 1 1 24 24 LYS N N 559 120.994 120.994 117.669 3.325 18115
6048 1 15 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.245 -0.173 18115
6049 1 15 . 1 1 24 24 LYS C C 559 177.830 177.830 177.622 0.208 18115
6050 1 15 . 1 1 24 24 LYS CA C 559 58.477 58.477 58.676 -0.199 18115
6051 1 15 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.864 0.495 18115
6052 1 15 . 1 1 24 24 LYS H H 559 7.572 7.572 8.037 -0.465 18115
6053 1 15 . 1 1 25 25 GLY N N 560 111.895 111.895 105.746 6.149 18115
6054 1 15 . 1 1 25 25 GLY C C 560 174.451 174.451 175.063 -0.612 18115
6055 1 15 . 1 1 25 25 GLY CA C 560 45.586 45.586 44.997 0.589 18115
6056 1 15 . 1 1 25 25 GLY H H 560 8.770 8.770 7.688 1.082 18115
6057 1 15 . 1 1 26 26 LYS N N 561 118.925 118.925 119.249 -0.324 18115
6058 1 15 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.439 -0.103 18115
6059 1 15 . 1 1 26 26 LYS C C 561 175.860 175.860 176.679 -0.819 18115
6060 1 15 . 1 1 26 26 LYS CA C 561 56.866 56.866 56.574 0.292 18115
6061 1 15 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.961 0.240 18115
6062 1 15 . 1 1 26 26 LYS H H 561 8.116 8.116 7.816 0.300 18115
6063 1 15 . 1 1 27 27 ILE N N 562 116.463 116.463 119.512 -3.049 18115
6064 1 15 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.176 0.322 18115
6065 1 15 . 1 1 27 27 ILE C C 562 174.838 174.838 174.575 0.263 18115
6066 1 15 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.993 -0.605 18115
6067 1 15 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.390 0.279 18115
6068 1 15 . 1 1 27 27 ILE H H 562 7.430 7.430 7.796 -0.366 18115
6069 1 15 . 1 1 28 28 SER N N 563 124.501 124.501 120.449 4.052 18115
6070 1 15 . 1 1 28 28 SER HA H 563 4.404 4.404 4.512 -0.108 18115
6071 1 15 . 1 1 28 28 SER C C 563 174.870 174.870 176.010 -1.140 18115
6072 1 15 . 1 1 28 28 SER CA C 563 57.432 57.432 57.322 0.110 18115
6073 1 15 . 1 1 28 28 SER CB C 563 64.793 64.793 64.232 0.561 18115
6074 1 15 . 1 1 28 28 SER H H 563 9.375 9.375 8.553 0.822 18115
6075 1 15 . 1 1 29 29 GLU N N 564 122.048 122.048 126.784 -4.736 18115
6076 1 15 . 1 1 29 29 GLU HA H 564 3.900 3.900 4.006 -0.106 18115
6077 1 15 . 1 1 29 29 GLU C C 564 179.396 179.396 178.041 1.355 18115
6078 1 15 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.916 -0.202 18115
6079 1 15 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.187 0.031 18115
6080 1 15 . 1 1 29 29 GLU H H 564 8.970 8.970 9.049 -0.079 18115
6081 1 15 . 1 1 30 30 ALA N N 565 120.829 120.829 121.836 -1.007 18115
6082 1 15 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.026 0.020 18115
6083 1 15 . 1 1 30 30 ALA C C 565 180.524 180.524 179.517 1.007 18115
6084 1 15 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.568 -0.530 18115
6085 1 15 . 1 1 30 30 ALA CB C 565 18.463 18.463 18.069 0.394 18115
6086 1 15 . 1 1 30 30 ALA H H 565 8.465 8.465 7.767 0.698 18115
6087 1 15 . 1 1 31 31 ASP N N 566 121.111 121.111 118.872 2.239 18115
6088 1 15 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.341 0.098 18115
6089 1 15 . 1 1 31 31 ASP C C 566 177.738 177.738 178.498 -0.760 18115
6090 1 15 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.825 -0.519 18115
6091 1 15 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.531 -0.576 18115
6092 1 15 . 1 1 31 31 ASP H H 566 7.835 7.835 7.565 0.270 18115
6093 1 15 . 1 1 32 32 LYS N N 567 121.278 121.278 121.407 -0.129 18115
6094 1 15 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.855 -0.262 18115
6095 1 15 . 1 1 32 32 LYS C C 567 177.700 177.700 178.936 -1.236 18115
6096 1 15 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.856 0.697 18115
6097 1 15 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.420 0.176 18115
6098 1 15 . 1 1 32 32 LYS H H 567 8.379 8.379 8.414 -0.035 18115
6099 1 15 . 1 1 33 33 LYS N N 568 117.531 117.531 118.269 -0.738 18115
6100 1 15 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.951 -0.112 18115
6101 1 15 . 1 1 33 33 LYS C C 568 177.391 177.391 178.907 -1.516 18115
6102 1 15 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.819 -0.412 18115
6103 1 15 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.495 -0.014 18115
6104 1 15 . 1 1 33 33 LYS H H 568 7.846 7.846 8.508 -0.662 18115
6105 1 15 . 1 1 34 34 LYS N N 569 118.376 118.376 119.677 -1.301 18115
6106 1 15 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.067 -0.068 18115
6107 1 15 . 1 1 34 34 LYS C C 569 180.064 180.064 178.975 1.089 18115
6108 1 15 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.263 0.690 18115
6109 1 15 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.246 0.608 18115
6110 1 15 . 1 1 34 34 LYS H H 569 7.647 7.647 7.872 -0.225 18115
6111 1 15 . 1 1 35 35 VAL N N 570 118.353 118.353 121.091 -2.738 18115
6112 1 15 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.752 -0.278 18115
6113 1 15 . 1 1 35 35 VAL C C 570 178.019 178.019 177.459 0.560 18115
6114 1 15 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.921 1.031 18115
6115 1 15 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.103 0.430 18115
6116 1 15 . 1 1 35 35 VAL H H 570 7.638 7.638 8.169 -0.531 18115
6117 1 15 . 1 1 36 36 LEU N N 571 120.671 120.671 121.214 -0.543 18115
6118 1 15 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.823 -0.033 18115
6119 1 15 . 1 1 36 36 LEU C C 571 180.444 180.444 178.788 1.656 18115
6120 1 15 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.831 0.082 18115
6121 1 15 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.268 -0.060 18115
6122 1 15 . 1 1 36 36 LEU H H 571 8.693 8.693 8.328 0.365 18115
6123 1 15 . 1 1 37 37 ASP N N 572 120.071 120.071 119.320 0.751 18115
6124 1 15 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.306 0.013 18115
6125 1 15 . 1 1 37 37 ASP C C 572 179.345 179.345 178.601 0.744 18115
6126 1 15 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.945 -0.662 18115
6127 1 15 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.963 -1.287 18115
6128 1 15 . 1 1 37 37 ASP H H 572 9.265 9.265 8.322 0.943 18115
6129 1 15 . 1 1 38 38 LYS N N 573 121.858 121.858 120.867 0.991 18115
6130 1 15 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.086 0.174 18115
6131 1 15 . 1 1 38 38 LYS C C 573 178.856 178.856 178.815 0.041 18115
6132 1 15 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.825 -1.764 18115
6133 1 15 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.801 -0.815 18115
6134 1 15 . 1 1 38 38 LYS H H 573 7.674 7.674 8.118 -0.444 18115
6135 1 15 . 1 1 39 39 CYS N N 574 117.635 117.635 118.462 -0.827 18115
6136 1 15 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.119 -0.256 18115
6137 1 15 . 1 1 39 39 CYS C C 574 176.479 176.479 176.967 -0.488 18115
6138 1 15 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.208 1.362 18115
6139 1 15 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.948 -0.268 18115
6140 1 15 . 1 1 39 39 CYS H H 574 8.818 8.818 8.700 0.118 18115
6141 1 15 . 1 1 40 40 GLN N N 575 118.089 118.089 119.071 -0.982 18115
6142 1 15 . 1 1 40 40 GLN HA H 575 3.959 3.959 3.977 -0.018 18115
6143 1 15 . 1 1 40 40 GLN C C 575 178.023 178.023 178.403 -0.380 18115
6144 1 15 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.998 -0.329 18115
6145 1 15 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.196 -0.106 18115
6146 1 15 . 1 1 40 40 GLN H H 575 8.203 8.203 8.366 -0.163 18115
6147 1 15 . 1 1 41 41 GLU N N 576 121.535 121.535 120.429 1.106 18115
6148 1 15 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.073 -0.081 18115
6149 1 15 . 1 1 41 41 GLU C C 576 179.586 179.586 179.124 0.462 18115
6150 1 15 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.742 0.147 18115
6151 1 15 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.653 0.360 18115
6152 1 15 . 1 1 41 41 GLU H H 576 8.074 8.074 8.011 0.063 18115
6153 1 15 . 1 1 42 42 VAL N N 577 120.038 120.038 120.284 -0.246 18115
6154 1 15 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.831 -0.120 18115
6155 1 15 . 1 1 42 42 VAL C C 577 177.102 177.102 177.966 -0.864 18115
6156 1 15 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.674 1.446 18115
6157 1 15 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.958 -0.426 18115
6158 1 15 . 1 1 42 42 VAL H H 577 8.144 8.144 8.084 0.060 18115
6159 1 15 . 1 1 43 43 ILE N N 578 122.306 122.306 120.487 1.819 18115
6160 1 15 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.716 -0.019 18115
6161 1 15 . 1 1 43 43 ILE C C 578 178.491 178.491 177.958 0.533 18115
6162 1 15 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.271 -0.653 18115
6163 1 15 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.596 0.091 18115
6164 1 15 . 1 1 43 43 ILE H H 578 8.504 8.504 8.467 0.037 18115
6165 1 15 . 1 1 44 44 SER N N 579 115.928 115.928 115.570 0.358 18115
6166 1 15 . 1 1 44 44 SER HA H 579 4.265 4.265 4.255 0.010 18115
6167 1 15 . 1 1 44 44 SER C C 579 177.129 177.129 176.765 0.364 18115
6168 1 15 . 1 1 44 44 SER CA C 579 62.208 62.208 61.789 0.419 18115
6169 1 15 . 1 1 44 44 SER CB C 579 62.906 62.906 63.105 -0.199 18115
6170 1 15 . 1 1 44 44 SER H H 579 8.562 8.562 8.313 0.249 18115
6171 1 15 . 1 1 45 45 TRP N N 580 124.917 124.917 124.428 0.489 18115
6172 1 15 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.425 -0.384 18115
6173 1 15 . 1 1 45 45 TRP C C 580 179.278 179.278 178.000 1.278 18115
6174 1 15 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.465 1.040 18115
6175 1 15 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.462 -0.944 18115
6176 1 15 . 1 1 45 45 TRP H H 580 8.406 8.406 8.093 0.313 18115
6177 1 15 . 1 1 46 46 LEU N N 581 122.211 122.211 119.484 2.727 18115
6178 1 15 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.872 -0.216 18115
6179 1 15 . 1 1 46 46 LEU C C 581 179.119 179.119 178.416 0.703 18115
6180 1 15 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.105 0.329 18115
6181 1 15 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.848 0.691 18115
6182 1 15 . 1 1 46 46 LEU H H 581 9.012 9.012 8.477 0.535 18115
6183 1 15 . 1 1 47 47 ASP N N 582 117.724 117.724 117.067 0.657 18115
6184 1 15 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.386 -0.108 18115
6185 1 15 . 1 1 47 47 ASP C C 582 177.154 177.154 177.974 -0.820 18115
6186 1 15 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.694 0.100 18115
6187 1 15 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.208 -0.019 18115
6188 1 15 . 1 1 47 47 ASP H H 582 7.665 7.665 7.754 -0.089 18115
6189 1 15 . 1 1 48 48 ALA N N 583 118.604 118.604 120.633 -2.029 18115
6190 1 15 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.208 0.080 18115
6191 1 15 . 1 1 48 48 ALA C C 583 177.776 177.776 177.874 -0.098 18115
6192 1 15 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.789 -1.436 18115
6193 1 15 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.351 0.542 18115
6194 1 15 . 1 1 48 48 ALA H H 583 7.129 7.129 7.380 -0.251 18115
6195 1 15 . 1 1 49 49 ASN N N 584 118.883 118.883 117.244 1.639 18115
6196 1 15 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.836 -0.165 18115
6197 1 15 . 1 1 49 49 ASN C C 584 174.761 174.761 175.034 -0.273 18115
6198 1 15 . 1 1 49 49 ASN CA C 584 52.848 52.848 51.607 1.241 18115
6199 1 15 . 1 1 49 49 ASN CB C 584 37.968 37.968 37.361 0.607 18115
6200 1 15 . 1 1 49 49 ASN H H 584 7.284 7.284 7.886 -0.602 18115
6201 1 15 . 1 1 50 50 THR N N 585 112.258 112.258 112.864 -0.606 18115
6202 1 15 . 1 1 50 50 THR HA H 585 3.967 3.967 4.238 -0.271 18115
6203 1 15 . 1 1 50 50 THR C C 585 175.787 175.787 175.320 0.467 18115
6204 1 15 . 1 1 50 50 THR CA C 585 65.175 65.175 63.577 1.598 18115
6205 1 15 . 1 1 50 50 THR CB C 585 69.336 69.336 68.897 0.439 18115
6206 1 15 . 1 1 50 50 THR H H 585 7.615 7.615 7.646 -0.031 18115
6207 1 15 . 1 1 51 51 LEU N N 586 120.550 120.550 119.933 0.617 18115
6208 1 15 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.484 0.059 18115
6209 1 15 . 1 1 51 51 LEU C C 586 176.635 176.635 176.923 -0.288 18115
6210 1 15 . 1 1 51 51 LEU CA C 586 53.961 53.961 54.087 -0.126 18115
6211 1 15 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.292 0.780 18115
6212 1 15 . 1 1 51 51 LEU H H 586 8.254 8.254 7.729 0.525 18115
6213 1 15 . 1 1 52 52 ALA N N 587 123.048 123.048 123.235 -0.187 18115
6214 1 15 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.171 -0.095 18115
6215 1 15 . 1 1 52 52 ALA C C 587 176.356 176.356 177.011 -0.655 18115
6216 1 15 . 1 1 52 52 ALA CA C 587 52.596 52.596 51.665 0.931 18115
6217 1 15 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.408 0.023 18115
6218 1 15 . 1 1 52 52 ALA H H 587 7.124 7.124 7.102 0.022 18115
6219 1 15 . 1 1 53 53 GLU N N 588 118.471 118.471 119.744 -1.273 18115
6220 1 15 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.457 -0.097 18115
6221 1 15 . 1 1 53 53 GLU C C 588 177.945 177.945 178.156 -0.211 18115
6222 1 15 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.765 -0.028 18115
6223 1 15 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.716 0.483 18115
6224 1 15 . 1 1 53 53 GLU H H 588 8.429 8.429 8.288 0.141 18115
6225 1 15 . 1 1 54 54 LYS N N 589 121.635 121.635 121.423 0.212 18115
6226 1 15 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.289 -0.139 18115
6227 1 15 . 1 1 54 54 LYS C C 589 178.445 178.445 178.071 0.374 18115
6228 1 15 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.299 0.408 18115
6229 1 15 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.134 0.656 18115
6230 1 15 . 1 1 54 54 LYS H H 589 8.763 8.763 8.745 0.018 18115
6231 1 15 . 1 1 55 55 ASP N N 590 116.537 116.537 119.098 -2.561 18115
6232 1 15 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.262 0.058 18115
6233 1 15 . 1 1 55 55 ASP C C 590 178.649 178.649 178.339 0.310 18115
6234 1 15 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.904 -0.892 18115
6235 1 15 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.843 0.246 18115
6236 1 15 . 1 1 55 55 ASP H H 590 8.814 8.814 8.771 0.043 18115
6237 1 15 . 1 1 56 56 GLU N N 591 119.611 119.611 119.657 -0.046 18115
6238 1 15 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.180 -0.115 18115
6239 1 15 . 1 1 56 56 GLU C C 591 179.582 179.582 178.845 0.737 18115
6240 1 15 . 1 1 56 56 GLU CA C 591 59.513 59.513 58.897 0.616 18115
6241 1 15 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.320 0.492 18115
6242 1 15 . 1 1 56 56 GLU H H 591 7.785 7.785 7.797 -0.012 18115
6243 1 15 . 1 1 57 57 PHE N N 592 117.509 117.509 119.134 -1.625 18115
6244 1 15 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.475 -0.250 18115
6245 1 15 . 1 1 57 57 PHE C C 592 178.436 178.436 178.205 0.231 18115
6246 1 15 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.690 -0.079 18115
6247 1 15 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.497 0.337 18115
6248 1 15 . 1 1 57 57 PHE H H 592 7.443 7.443 7.383 0.060 18115
6249 1 15 . 1 1 58 58 GLU N N 593 118.501 118.501 119.473 -0.972 18115
6250 1 15 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.971 0.163 18115
6251 1 15 . 1 1 58 58 GLU C C 593 178.855 178.855 179.504 -0.649 18115
6252 1 15 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.543 -0.559 18115
6253 1 15 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.823 0.244 18115
6254 1 15 . 1 1 58 58 GLU H H 593 7.952 7.952 8.473 -0.521 18115
6255 1 15 . 1 1 59 59 HIS N N 594 118.563 118.563 118.697 -0.134 18115
6256 1 15 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.280 -0.067 18115
6257 1 15 . 1 1 59 59 HIS C C 594 177.856 177.856 177.621 0.235 18115
6258 1 15 . 1 1 59 59 HIS CA C 594 59.268 59.268 58.687 0.581 18115
6259 1 15 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.790 -0.753 18115
6260 1 15 . 1 1 59 59 HIS H H 594 8.126 8.126 8.134 -0.008 18115
6261 1 15 . 1 1 60 60 LYS N N 595 119.034 119.034 120.229 -1.195 18115
6262 1 15 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.990 -0.296 18115
6263 1 15 . 1 1 60 60 LYS C C 595 178.057 178.057 178.352 -0.295 18115
6264 1 15 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.292 -1.145 18115
6265 1 15 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.686 -0.909 18115
6266 1 15 . 1 1 60 60 LYS H H 595 7.733 7.733 7.951 -0.218 18115
6267 1 15 . 1 1 61 61 ARG N N 596 120.071 120.071 119.090 0.981 18115
6268 1 15 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.723 -0.075 18115
6269 1 15 . 1 1 61 61 ARG C C 596 177.921 177.921 178.331 -0.410 18115
6270 1 15 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.755 0.423 18115
6271 1 15 . 1 1 61 61 ARG CB C 596 29.805 29.805 29.977 -0.172 18115
6272 1 15 . 1 1 61 61 ARG H H 596 8.167 8.167 8.525 -0.358 18115
6273 1 15 . 1 1 62 62 LYS N N 597 118.731 118.731 118.646 0.085 18115
6274 1 15 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.026 -0.140 18115
6275 1 15 . 1 1 62 62 LYS C C 597 178.963 178.963 178.876 0.087 18115
6276 1 15 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.521 0.716 18115
6277 1 15 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.640 0.260 18115
6278 1 15 . 1 1 62 62 LYS H H 597 7.948 7.948 7.571 0.377 18115
6279 1 15 . 1 1 63 63 GLU N N 598 118.881 118.881 120.507 -1.626 18115
6280 1 15 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.947 -0.071 18115
6281 1 15 . 1 1 63 63 GLU C C 598 179.408 179.408 179.126 0.282 18115
6282 1 15 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.209 0.176 18115
6283 1 15 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.530 0.873 18115
6284 1 15 . 1 1 63 63 GLU H H 598 7.794 7.794 7.962 -0.168 18115
6285 1 15 . 1 1 64 64 LEU N N 599 119.904 119.904 119.962 -0.058 18115
6286 1 15 . 1 1 64 64 LEU HA H 599 4.070 4.070 4.020 0.050 18115
6287 1 15 . 1 1 64 64 LEU C C 599 178.814 178.814 178.486 0.328 18115
6288 1 15 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.936 0.060 18115
6289 1 15 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.489 0.531 18115
6290 1 15 . 1 1 64 64 LEU H H 599 7.800 7.800 8.565 -0.765 18115
6291 1 15 . 1 1 65 65 GLU N N 600 122.446 122.446 119.946 2.500 18115
6292 1 15 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.086 0.080 18115
6293 1 15 . 1 1 65 65 GLU C C 600 178.550 178.550 179.222 -0.672 18115
6294 1 15 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.411 0.320 18115
6295 1 15 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.540 0.729 18115
6296 1 15 . 1 1 65 65 GLU H H 600 8.948 8.948 7.856 1.092 18115
6297 1 15 . 1 1 66 66 GLN N N 601 116.068 116.068 117.736 -1.668 18115
6298 1 15 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.072 -0.121 18115
6299 1 15 . 1 1 66 66 GLN C C 601 178.277 178.277 178.629 -0.352 18115
6300 1 15 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.354 0.172 18115
6301 1 15 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.438 0.184 18115
6302 1 15 . 1 1 66 66 GLN H H 601 8.109 8.109 8.107 0.002 18115
6303 1 15 . 1 1 67 67 VAL N N 602 116.121 116.121 118.208 -2.087 18115
6304 1 15 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.925 -0.120 18115
6305 1 15 . 1 1 67 67 VAL C C 602 177.423 177.423 177.210 0.213 18115
6306 1 15 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.575 0.530 18115
6307 1 15 . 1 1 67 67 VAL CB C 602 33.177 33.177 31.839 1.338 18115
6308 1 15 . 1 1 67 67 VAL H H 602 7.171 7.171 7.528 -0.357 18115
6309 1 15 . 1 1 68 68 CYS N N 603 114.504 114.504 114.983 -0.479 18115
6310 1 15 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.293 -0.295 18115
6311 1 15 . 1 1 68 68 CYS C C 603 176.503 176.503 176.516 -0.013 18115
6312 1 15 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.399 2.926 18115
6313 1 15 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.284 0.381 18115
6314 1 15 . 1 1 68 68 CYS H H 603 8.138 8.138 8.077 0.061 18115
6315 1 15 . 1 1 69 69 ASN N N 604 119.915 119.915 121.503 -1.588 18115
6316 1 15 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.515 0.059 18115
6317 1 15 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.575 0.240 18115
6318 1 15 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.422 -0.607 18115
6319 1 15 . 1 1 69 69 ASN H H 604 9.045 9.045 8.820 0.225 18115
6320 1 15 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.266 0.005 18115
6321 1 15 . 1 1 70 70 PRO C C 605 177.471 177.471 177.292 0.179 18115
6322 1 15 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.225 0.445 18115
6323 1 15 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.266 0.322 18115
6324 1 15 . 1 1 71 71 ILE N N 606 115.752 115.752 114.248 1.504 18115
6325 1 15 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.061 -0.243 18115
6326 1 15 . 1 1 71 71 ILE C C 606 177.032 177.032 177.964 -0.932 18115
6327 1 15 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.658 -0.340 18115
6328 1 15 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.371 1.253 18115
6329 1 15 . 1 1 71 71 ILE H H 606 6.851 6.851 7.386 -0.535 18115
6330 1 15 . 1 1 72 72 ILE N N 607 116.042 116.042 122.611 -6.569 18115
6331 1 15 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.797 0.209 18115
6332 1 15 . 1 1 72 72 ILE C C 607 177.236 177.236 178.554 -1.318 18115
6333 1 15 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.949 -2.223 18115
6334 1 15 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.255 1.047 18115
6335 1 15 . 1 1 72 72 ILE H H 607 8.032 8.032 8.782 -0.750 18115
6336 1 15 . 1 1 73 73 SER N N 608 115.855 115.855 116.270 -0.415 18115
6337 1 15 . 1 1 73 73 SER HA H 608 4.277 4.277 4.326 -0.049 18115
6338 1 15 . 1 1 73 73 SER C C 608 175.111 175.111 175.403 -0.292 18115
6339 1 15 . 1 1 73 73 SER CA C 608 60.134 60.134 60.451 -0.317 18115
6340 1 15 . 1 1 73 73 SER CB C 608 63.480 63.480 63.005 0.475 18115
6341 1 15 . 1 1 73 73 SER H H 608 8.001 8.001 8.682 -0.681 18115
6342 1 15 . 1 1 74 74 GLY N N 609 109.991 109.991 107.548 2.443 18115
6343 1 15 . 1 1 74 74 GLY C C 609 173.508 173.508 173.445 0.063 18115
6344 1 15 . 1 1 74 74 GLY CA C 609 45.315 45.315 45.018 0.297 18115
6345 1 15 . 1 1 74 74 GLY H H 609 7.924 7.924 7.870 0.054 18115
6346 1 16 . 1 1 3 3 ALA N N 538 127.340 127.340 125.735 1.605 18115
6347 1 16 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.867 0.240 18115
6348 1 16 . 1 1 3 3 ALA C C 538 179.658 179.658 177.982 1.676 18115
6349 1 16 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.126 0.666 18115
6350 1 16 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.380 0.227 18115
6351 1 16 . 1 1 3 3 ALA H H 538 8.781 8.781 8.351 0.430 18115
6352 1 16 . 1 1 4 4 LYS N N 539 120.439 120.439 118.058 2.381 18115
6353 1 16 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.579 -0.314 18115
6354 1 16 . 1 1 4 4 LYS C C 539 177.428 177.428 178.175 -0.747 18115
6355 1 16 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.576 1.165 18115
6356 1 16 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.779 0.463 18115
6357 1 16 . 1 1 4 4 LYS H H 539 8.006 8.006 7.480 0.526 18115
6358 1 16 . 1 1 5 5 ASN N N 540 117.109 117.109 117.911 -0.802 18115
6359 1 16 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.395 -0.014 18115
6360 1 16 . 1 1 5 5 ASN C C 540 177.598 177.598 177.363 0.235 18115
6361 1 16 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.692 -0.934 18115
6362 1 16 . 1 1 5 5 ASN CB C 540 38.286 38.286 38.367 -0.081 18115
6363 1 16 . 1 1 5 5 ASN H H 540 7.789 7.789 7.658 0.131 18115
6364 1 16 . 1 1 6 6 ALA N N 541 122.489 122.489 123.718 -1.229 18115
6365 1 16 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.116 -0.012 18115
6366 1 16 . 1 1 6 6 ALA C C 541 180.393 180.393 180.071 0.322 18115
6367 1 16 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.193 -0.157 18115
6368 1 16 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.332 -0.177 18115
6369 1 16 . 1 1 6 6 ALA H H 541 8.209 8.209 7.460 0.749 18115
6370 1 16 . 1 1 7 7 LEU N N 542 120.603 120.603 119.738 0.865 18115
6371 1 16 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.105 0.088 18115
6372 1 16 . 1 1 7 7 LEU C C 542 177.015 177.015 179.034 -2.019 18115
6373 1 16 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.067 -0.112 18115
6374 1 16 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.921 0.302 18115
6375 1 16 . 1 1 7 7 LEU H H 542 7.775 7.775 8.354 -0.579 18115
6376 1 16 . 1 1 8 8 GLU N N 543 119.550 119.550 119.878 -0.328 18115
6377 1 16 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.152 -0.597 18115
6378 1 16 . 1 1 8 8 GLU C C 543 177.949 177.949 179.140 -1.191 18115
6379 1 16 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.203 0.109 18115
6380 1 16 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.880 0.545 18115
6381 1 16 . 1 1 8 8 GLU H H 543 8.418 8.418 8.860 -0.442 18115
6382 1 16 . 1 1 9 9 SER N N 544 112.181 112.181 116.425 -4.244 18115
6383 1 16 . 1 1 9 9 SER HA H 544 4.192 4.192 4.221 -0.029 18115
6384 1 16 . 1 1 9 9 SER C C 544 176.285 176.285 176.684 -0.399 18115
6385 1 16 . 1 1 9 9 SER CA C 544 61.890 61.890 62.203 -0.313 18115
6386 1 16 . 1 1 9 9 SER CB C 544 63.000 63.000 63.041 -0.041 18115
6387 1 16 . 1 1 9 9 SER H H 544 8.313 8.313 8.183 0.130 18115
6388 1 16 . 1 1 10 10 TYR N N 545 122.309 122.309 123.477 -1.168 18115
6389 1 16 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.138 0.251 18115
6390 1 16 . 1 1 10 10 TYR C C 545 177.193 177.193 177.036 0.157 18115
6391 1 16 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.624 -0.282 18115
6392 1 16 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.340 0.547 18115
6393 1 16 . 1 1 10 10 TYR H H 545 7.811 7.811 8.224 -0.413 18115
6394 1 16 . 1 1 11 11 ALA N N 546 120.404 120.404 122.111 -1.707 18115
6395 1 16 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.175 -0.386 18115
6396 1 16 . 1 1 11 11 ALA C C 546 179.480 179.480 179.678 -0.198 18115
6397 1 16 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.904 0.784 18115
6398 1 16 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.223 -0.597 18115
6399 1 16 . 1 1 11 11 ALA H H 546 8.456 8.456 8.629 -0.173 18115
6400 1 16 . 1 1 12 12 PHE N N 547 116.158 116.158 118.500 -2.342 18115
6401 1 16 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.099 0.046 18115
6402 1 16 . 1 1 12 12 PHE C C 547 179.133 179.133 177.919 1.214 18115
6403 1 16 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.703 -1.290 18115
6404 1 16 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.671 -0.391 18115
6405 1 16 . 1 1 12 12 PHE H H 547 8.430 8.430 9.120 -0.690 18115
6406 1 16 . 1 1 13 13 ASN N N 548 120.231 120.231 118.455 1.776 18115
6407 1 16 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.472 -0.053 18115
6408 1 16 . 1 1 13 13 ASN C C 548 178.326 178.326 177.971 0.355 18115
6409 1 16 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.355 -0.403 18115
6410 1 16 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.138 -0.184 18115
6411 1 16 . 1 1 13 13 ASN H H 548 8.654 8.654 8.575 0.079 18115
6412 1 16 . 1 1 14 14 MET N N 549 121.990 121.990 118.570 3.420 18115
6413 1 16 . 1 1 14 14 MET HA H 549 4.278 4.278 4.235 0.043 18115
6414 1 16 . 1 1 14 14 MET C C 549 176.929 176.929 178.231 -1.302 18115
6415 1 16 . 1 1 14 14 MET CA C 549 57.182 57.182 57.688 -0.506 18115
6416 1 16 . 1 1 14 14 MET CB C 549 32.998 32.998 31.844 1.154 18115
6417 1 16 . 1 1 14 14 MET H H 549 8.331 8.331 8.174 0.157 18115
6418 1 16 . 1 1 15 15 LYS N N 550 119.946 119.946 121.266 -1.320 18115
6419 1 16 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.868 -0.153 18115
6420 1 16 . 1 1 15 15 LYS C C 550 177.879 177.879 178.929 -1.050 18115
6421 1 16 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.212 -0.241 18115
6422 1 16 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.126 0.684 18115
6423 1 16 . 1 1 15 15 LYS H H 550 7.731 7.731 8.488 -0.757 18115
6424 1 16 . 1 1 16 16 SER N N 551 111.477 111.477 114.763 -3.286 18115
6425 1 16 . 1 1 16 16 SER HA H 551 4.093 4.093 4.235 -0.142 18115
6426 1 16 . 1 1 16 16 SER C C 551 177.031 177.031 176.345 0.686 18115
6427 1 16 . 1 1 16 16 SER CA C 551 61.173 61.173 61.103 0.070 18115
6428 1 16 . 1 1 16 16 SER CB C 551 63.007 63.007 63.090 -0.083 18115
6429 1 16 . 1 1 16 16 SER H H 551 7.766 7.766 8.403 -0.637 18115
6430 1 16 . 1 1 17 17 ALA N N 552 123.689 123.689 122.925 0.764 18115
6431 1 16 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.144 -0.061 18115
6432 1 16 . 1 1 17 17 ALA C C 552 180.384 180.384 179.868 0.516 18115
6433 1 16 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.714 0.574 18115
6434 1 16 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.712 -0.547 18115
6435 1 16 . 1 1 17 17 ALA H H 552 8.089 8.089 7.852 0.237 18115
6436 1 16 . 1 1 18 18 VAL N N 553 109.294 109.294 113.726 -4.432 18115
6437 1 16 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.902 0.114 18115
6438 1 16 . 1 1 18 18 VAL C C 553 176.352 176.352 177.872 -1.520 18115
6439 1 16 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.107 -1.349 18115
6440 1 16 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.912 -0.260 18115
6441 1 16 . 1 1 18 18 VAL H H 553 7.560 7.560 7.655 -0.095 18115
6442 1 16 . 1 1 19 19 GLU N N 554 118.414 118.414 118.460 -0.046 18115
6443 1 16 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.262 -0.047 18115
6444 1 16 . 1 1 19 19 GLU C C 554 176.794 176.794 176.403 0.391 18115
6445 1 16 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.483 0.261 18115
6446 1 16 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.160 0.999 18115
6447 1 16 . 1 1 19 19 GLU H H 554 7.389 7.389 7.989 -0.600 18115
6448 1 16 . 1 1 20 20 ASP N N 555 120.735 120.735 120.529 0.206 18115
6449 1 16 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.496 -0.129 18115
6450 1 16 . 1 1 20 20 ASP C C 555 178.171 178.171 177.211 0.960 18115
6451 1 16 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.705 1.162 18115
6452 1 16 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.107 0.767 18115
6453 1 16 . 1 1 20 20 ASP H H 555 7.224 7.224 7.333 -0.109 18115
6454 1 16 . 1 1 21 21 GLU N N 556 126.927 126.927 123.914 3.013 18115
6455 1 16 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.128 -0.147 18115
6456 1 16 . 1 1 21 21 GLU C C 556 178.691 178.691 176.291 2.400 18115
6457 1 16 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.740 1.404 18115
6458 1 16 . 1 1 21 21 GLU CB C 556 29.550 29.550 28.800 0.750 18115
6459 1 16 . 1 1 21 21 GLU H H 556 9.007 9.007 8.767 0.240 18115
6460 1 16 . 1 1 22 22 GLY N N 557 108.255 108.255 106.831 1.424 18115
6461 1 16 . 1 1 22 22 GLY C C 557 175.344 175.344 175.219 0.125 18115
6462 1 16 . 1 1 22 22 GLY CA C 557 46.408 46.408 44.968 1.440 18115
6463 1 16 . 1 1 22 22 GLY H H 557 9.031 9.031 8.432 0.599 18115
6464 1 16 . 1 1 23 23 LEU N N 558 119.463 119.463 121.204 -1.741 18115
6465 1 16 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.460 -0.114 18115
6466 1 16 . 1 1 23 23 LEU C C 558 177.893 177.893 175.876 2.017 18115
6467 1 16 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.199 0.721 18115
6468 1 16 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.677 -0.291 18115
6469 1 16 . 1 1 23 23 LEU H H 558 7.606 7.606 7.663 -0.057 18115
6470 1 16 . 1 1 24 24 LYS N N 559 120.994 120.994 119.409 1.585 18115
6471 1 16 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.135 -0.063 18115
6472 1 16 . 1 1 24 24 LYS C C 559 177.830 177.830 177.054 0.776 18115
6473 1 16 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.496 0.981 18115
6474 1 16 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.904 0.456 18115
6475 1 16 . 1 1 24 24 LYS H H 559 7.572 7.572 7.368 0.204 18115
6476 1 16 . 1 1 25 25 GLY N N 560 111.895 111.895 115.421 -3.526 18115
6477 1 16 . 1 1 25 25 GLY C C 560 174.451 174.451 175.285 -0.834 18115
6478 1 16 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.163 0.423 18115
6479 1 16 . 1 1 25 25 GLY H H 560 8.770 8.770 8.679 0.091 18115
6480 1 16 . 1 1 26 26 LYS N N 561 118.925 118.925 121.508 -2.583 18115
6481 1 16 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.192 0.144 18115
6482 1 16 . 1 1 26 26 LYS C C 561 175.860 175.860 177.048 -1.188 18115
6483 1 16 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.779 -0.912 18115
6484 1 16 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.070 1.131 18115
6485 1 16 . 1 1 26 26 LYS H H 561 8.116 8.116 7.871 0.245 18115
6486 1 16 . 1 1 27 27 ILE N N 562 116.463 116.463 119.570 -3.107 18115
6487 1 16 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.241 0.257 18115
6488 1 16 . 1 1 27 27 ILE C C 562 174.838 174.838 174.450 0.388 18115
6489 1 16 . 1 1 27 27 ILE CA C 562 59.388 59.388 60.184 -0.796 18115
6490 1 16 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.142 0.527 18115
6491 1 16 . 1 1 27 27 ILE H H 562 7.430 7.430 7.379 0.051 18115
6492 1 16 . 1 1 28 28 SER N N 563 124.501 124.501 120.920 3.581 18115
6493 1 16 . 1 1 28 28 SER HA H 563 4.404 4.404 4.456 -0.052 18115
6494 1 16 . 1 1 28 28 SER C C 563 174.870 174.870 175.612 -0.742 18115
6495 1 16 . 1 1 28 28 SER CA C 563 57.432 57.432 57.427 0.005 18115
6496 1 16 . 1 1 28 28 SER CB C 563 64.793 64.793 64.237 0.556 18115
6497 1 16 . 1 1 28 28 SER H H 563 9.375 9.375 8.693 0.682 18115
6498 1 16 . 1 1 29 29 GLU N N 564 122.048 122.048 126.455 -4.407 18115
6499 1 16 . 1 1 29 29 GLU HA H 564 3.900 3.900 4.013 -0.113 18115
6500 1 16 . 1 1 29 29 GLU C C 564 179.396 179.396 177.999 1.397 18115
6501 1 16 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.025 0.689 18115
6502 1 16 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.313 -0.095 18115
6503 1 16 . 1 1 29 29 GLU H H 564 8.970 8.970 9.028 -0.058 18115
6504 1 16 . 1 1 30 30 ALA N N 565 120.829 120.829 122.670 -1.841 18115
6505 1 16 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.020 0.026 18115
6506 1 16 . 1 1 30 30 ALA C C 565 180.524 180.524 179.413 1.111 18115
6507 1 16 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.409 -0.371 18115
6508 1 16 . 1 1 30 30 ALA CB C 565 18.463 18.463 18.011 0.452 18115
6509 1 16 . 1 1 30 30 ALA H H 565 8.465 8.465 7.810 0.655 18115
6510 1 16 . 1 1 31 31 ASP N N 566 121.111 121.111 119.047 2.064 18115
6511 1 16 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.321 0.118 18115
6512 1 16 . 1 1 31 31 ASP C C 566 177.738 177.738 178.522 -0.784 18115
6513 1 16 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.818 -0.512 18115
6514 1 16 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.505 -0.550 18115
6515 1 16 . 1 1 31 31 ASP H H 566 7.835 7.835 7.690 0.145 18115
6516 1 16 . 1 1 32 32 LYS N N 567 121.278 121.278 121.172 0.106 18115
6517 1 16 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.866 -0.273 18115
6518 1 16 . 1 1 32 32 LYS C C 567 177.700 177.700 178.838 -1.138 18115
6519 1 16 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.835 0.718 18115
6520 1 16 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.412 0.184 18115
6521 1 16 . 1 1 32 32 LYS H H 567 8.379 8.379 8.273 0.106 18115
6522 1 16 . 1 1 33 33 LYS N N 568 117.531 117.531 118.430 -0.899 18115
6523 1 16 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.960 -0.121 18115
6524 1 16 . 1 1 33 33 LYS C C 568 177.391 177.391 178.896 -1.505 18115
6525 1 16 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.801 -0.394 18115
6526 1 16 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.514 -0.034 18115
6527 1 16 . 1 1 33 33 LYS H H 568 7.846 7.846 8.484 -0.638 18115
6528 1 16 . 1 1 34 34 LYS N N 569 118.376 118.376 119.725 -1.349 18115
6529 1 16 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.050 -0.051 18115
6530 1 16 . 1 1 34 34 LYS C C 569 180.064 180.064 178.979 1.085 18115
6531 1 16 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.331 0.622 18115
6532 1 16 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.200 0.654 18115
6533 1 16 . 1 1 34 34 LYS H H 569 7.647 7.647 8.043 -0.396 18115
6534 1 16 . 1 1 35 35 VAL N N 570 118.353 118.353 120.905 -2.552 18115
6535 1 16 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.756 -0.282 18115
6536 1 16 . 1 1 35 35 VAL C C 570 178.019 178.019 177.452 0.567 18115
6537 1 16 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.925 1.027 18115
6538 1 16 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.112 0.421 18115
6539 1 16 . 1 1 35 35 VAL H H 570 7.638 7.638 7.922 -0.284 18115
6540 1 16 . 1 1 36 36 LEU N N 571 120.671 120.671 121.270 -0.599 18115
6541 1 16 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.846 -0.056 18115
6542 1 16 . 1 1 36 36 LEU C C 571 180.444 180.444 178.987 1.457 18115
6543 1 16 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.694 0.219 18115
6544 1 16 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.344 -0.136 18115
6545 1 16 . 1 1 36 36 LEU H H 571 8.693 8.693 8.347 0.346 18115
6546 1 16 . 1 1 37 37 ASP N N 572 120.071 120.071 119.182 0.889 18115
6547 1 16 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.281 0.038 18115
6548 1 16 . 1 1 37 37 ASP C C 572 179.345 179.345 178.528 0.817 18115
6549 1 16 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.730 -0.447 18115
6550 1 16 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.846 -1.169 18115
6551 1 16 . 1 1 37 37 ASP H H 572 9.265 9.265 8.464 0.801 18115
6552 1 16 . 1 1 38 38 LYS N N 573 121.858 121.858 120.189 1.669 18115
6553 1 16 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.130 0.130 18115
6554 1 16 . 1 1 38 38 LYS C C 573 178.856 178.856 178.812 0.044 18115
6555 1 16 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.666 -1.605 18115
6556 1 16 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.907 -0.920 18115
6557 1 16 . 1 1 38 38 LYS H H 573 7.674 7.674 7.970 -0.296 18115
6558 1 16 . 1 1 39 39 CYS N N 574 117.635 117.635 118.669 -1.034 18115
6559 1 16 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.125 -0.262 18115
6560 1 16 . 1 1 39 39 CYS C C 574 176.479 176.479 177.011 -0.532 18115
6561 1 16 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.243 1.327 18115
6562 1 16 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.996 -0.316 18115
6563 1 16 . 1 1 39 39 CYS H H 574 8.818 8.818 8.715 0.103 18115
6564 1 16 . 1 1 40 40 GLN N N 575 118.089 118.089 118.879 -0.790 18115
6565 1 16 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.018 -0.059 18115
6566 1 16 . 1 1 40 40 GLN C C 575 178.023 178.023 178.551 -0.528 18115
6567 1 16 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.957 -0.288 18115
6568 1 16 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.157 -0.067 18115
6569 1 16 . 1 1 40 40 GLN H H 575 8.203 8.203 8.321 -0.118 18115
6570 1 16 . 1 1 41 41 GLU N N 576 121.535 121.535 120.557 0.978 18115
6571 1 16 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.090 -0.098 18115
6572 1 16 . 1 1 41 41 GLU C C 576 179.586 179.586 179.115 0.471 18115
6573 1 16 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.714 0.175 18115
6574 1 16 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.572 0.441 18115
6575 1 16 . 1 1 41 41 GLU H H 576 8.074 8.074 7.815 0.259 18115
6576 1 16 . 1 1 42 42 VAL N N 577 120.038 120.038 120.341 -0.303 18115
6577 1 16 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.815 -0.104 18115
6578 1 16 . 1 1 42 42 VAL C C 577 177.102 177.102 178.055 -0.953 18115
6579 1 16 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.708 1.412 18115
6580 1 16 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.937 -0.405 18115
6581 1 16 . 1 1 42 42 VAL H H 577 8.144 8.144 7.946 0.198 18115
6582 1 16 . 1 1 43 43 ILE N N 578 122.306 122.306 120.239 2.067 18115
6583 1 16 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.776 -0.079 18115
6584 1 16 . 1 1 43 43 ILE C C 578 178.491 178.491 178.124 0.367 18115
6585 1 16 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.116 -0.498 18115
6586 1 16 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.715 -0.028 18115
6587 1 16 . 1 1 43 43 ILE H H 578 8.504 8.504 8.540 -0.036 18115
6588 1 16 . 1 1 44 44 SER N N 579 115.928 115.928 115.678 0.250 18115
6589 1 16 . 1 1 44 44 SER HA H 579 4.265 4.265 4.289 -0.024 18115
6590 1 16 . 1 1 44 44 SER C C 579 177.129 177.129 176.367 0.762 18115
6591 1 16 . 1 1 44 44 SER CA C 579 62.208 62.208 61.489 0.719 18115
6592 1 16 . 1 1 44 44 SER CB C 579 62.906 62.906 62.982 -0.076 18115
6593 1 16 . 1 1 44 44 SER H H 579 8.562 8.562 8.322 0.240 18115
6594 1 16 . 1 1 45 45 TRP N N 580 124.917 124.917 123.741 1.176 18115
6595 1 16 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.425 -0.384 18115
6596 1 16 . 1 1 45 45 TRP C C 580 179.278 179.278 177.821 1.457 18115
6597 1 16 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.258 1.247 18115
6598 1 16 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.708 -1.190 18115
6599 1 16 . 1 1 45 45 TRP H H 580 8.406 8.406 7.994 0.412 18115
6600 1 16 . 1 1 46 46 LEU N N 581 122.211 122.211 119.793 2.418 18115
6601 1 16 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.883 -0.227 18115
6602 1 16 . 1 1 46 46 LEU C C 581 179.119 179.119 178.739 0.380 18115
6603 1 16 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.061 0.373 18115
6604 1 16 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.804 0.735 18115
6605 1 16 . 1 1 46 46 LEU H H 581 9.012 9.012 8.781 0.231 18115
6606 1 16 . 1 1 47 47 ASP N N 582 117.724 117.724 117.622 0.102 18115
6607 1 16 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.368 -0.090 18115
6608 1 16 . 1 1 47 47 ASP C C 582 177.154 177.154 177.910 -0.756 18115
6609 1 16 . 1 1 47 47 ASP CA C 582 56.794 56.794 57.008 -0.214 18115
6610 1 16 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.092 0.097 18115
6611 1 16 . 1 1 47 47 ASP H H 582 7.665 7.665 7.862 -0.197 18115
6612 1 16 . 1 1 48 48 ALA N N 583 118.604 118.604 119.922 -1.318 18115
6613 1 16 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.193 0.095 18115
6614 1 16 . 1 1 48 48 ALA C C 583 177.776 177.776 177.985 -0.209 18115
6615 1 16 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.671 -1.318 18115
6616 1 16 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.293 0.601 18115
6617 1 16 . 1 1 48 48 ALA H H 583 7.129 7.129 7.300 -0.171 18115
6618 1 16 . 1 1 49 49 ASN N N 584 118.883 118.883 116.424 2.459 18115
6619 1 16 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.857 -0.186 18115
6620 1 16 . 1 1 49 49 ASN C C 584 174.761 174.761 175.248 -0.487 18115
6621 1 16 . 1 1 49 49 ASN CA C 584 52.848 52.848 51.764 1.084 18115
6622 1 16 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.249 -0.281 18115
6623 1 16 . 1 1 49 49 ASN H H 584 7.284 7.284 7.871 -0.587 18115
6624 1 16 . 1 1 50 50 THR N N 585 112.258 112.258 114.352 -2.094 18115
6625 1 16 . 1 1 50 50 THR HA H 585 3.967 3.967 4.296 -0.329 18115
6626 1 16 . 1 1 50 50 THR C C 585 175.787 175.787 174.834 0.953 18115
6627 1 16 . 1 1 50 50 THR CA C 585 65.175 65.175 64.509 0.666 18115
6628 1 16 . 1 1 50 50 THR CB C 585 69.336 69.336 68.980 0.356 18115
6629 1 16 . 1 1 50 50 THR H H 585 7.615 7.615 8.102 -0.487 18115
6630 1 16 . 1 1 51 51 LEU N N 586 120.550 120.550 118.900 1.650 18115
6631 1 16 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.630 -0.087 18115
6632 1 16 . 1 1 51 51 LEU C C 586 176.635 176.635 176.793 -0.158 18115
6633 1 16 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.257 0.704 18115
6634 1 16 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.751 0.321 18115
6635 1 16 . 1 1 51 51 LEU H H 586 8.254 8.254 7.601 0.653 18115
6636 1 16 . 1 1 52 52 ALA N N 587 123.048 123.048 122.539 0.509 18115
6637 1 16 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.122 -0.046 18115
6638 1 16 . 1 1 52 52 ALA C C 587 176.356 176.356 177.592 -1.236 18115
6639 1 16 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.203 0.393 18115
6640 1 16 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.393 0.038 18115
6641 1 16 . 1 1 52 52 ALA H H 587 7.124 7.124 7.270 -0.146 18115
6642 1 16 . 1 1 53 53 GLU N N 588 118.471 118.471 120.548 -2.077 18115
6643 1 16 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.483 -0.123 18115
6644 1 16 . 1 1 53 53 GLU C C 588 177.945 177.945 178.352 -0.407 18115
6645 1 16 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.857 -0.120 18115
6646 1 16 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.948 0.251 18115
6647 1 16 . 1 1 53 53 GLU H H 588 8.429 8.429 8.969 -0.540 18115
6648 1 16 . 1 1 54 54 LYS N N 589 121.635 121.635 122.082 -0.447 18115
6649 1 16 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.218 -0.068 18115
6650 1 16 . 1 1 54 54 LYS C C 589 178.445 178.445 178.106 0.339 18115
6651 1 16 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.230 0.477 18115
6652 1 16 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.099 0.692 18115
6653 1 16 . 1 1 54 54 LYS H H 589 8.763 8.763 8.822 -0.059 18115
6654 1 16 . 1 1 55 55 ASP N N 590 116.537 116.537 117.368 -0.831 18115
6655 1 16 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.292 0.028 18115
6656 1 16 . 1 1 55 55 ASP C C 590 178.649 178.649 178.372 0.277 18115
6657 1 16 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.128 -0.116 18115
6658 1 16 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.625 0.464 18115
6659 1 16 . 1 1 55 55 ASP H H 590 8.814 8.814 8.848 -0.034 18115
6660 1 16 . 1 1 56 56 GLU N N 591 119.611 119.611 120.947 -1.336 18115
6661 1 16 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.163 -0.098 18115
6662 1 16 . 1 1 56 56 GLU C C 591 179.582 179.582 178.741 0.841 18115
6663 1 16 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.268 0.245 18115
6664 1 16 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.670 0.143 18115
6665 1 16 . 1 1 56 56 GLU H H 591 7.785 7.785 7.820 -0.035 18115
6666 1 16 . 1 1 57 57 PHE N N 592 117.509 117.509 118.577 -1.068 18115
6667 1 16 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.355 -0.130 18115
6668 1 16 . 1 1 57 57 PHE C C 592 178.436 178.436 178.108 0.328 18115
6669 1 16 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.507 0.104 18115
6670 1 16 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.623 0.211 18115
6671 1 16 . 1 1 57 57 PHE H H 592 7.443 7.443 7.521 -0.078 18115
6672 1 16 . 1 1 58 58 GLU N N 593 118.501 118.501 119.392 -0.891 18115
6673 1 16 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.953 0.181 18115
6674 1 16 . 1 1 58 58 GLU C C 593 178.855 178.855 179.428 -0.573 18115
6675 1 16 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.593 -0.608 18115
6676 1 16 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.870 0.197 18115
6677 1 16 . 1 1 58 58 GLU H H 593 7.952 7.952 8.701 -0.749 18115
6678 1 16 . 1 1 59 59 HIS N N 594 118.563 118.563 118.636 -0.073 18115
6679 1 16 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.257 -0.044 18115
6680 1 16 . 1 1 59 59 HIS C C 594 177.856 177.856 177.550 0.306 18115
6681 1 16 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.034 0.234 18115
6682 1 16 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.777 -0.740 18115
6683 1 16 . 1 1 59 59 HIS H H 594 8.126 8.126 8.239 -0.113 18115
6684 1 16 . 1 1 60 60 LYS N N 595 119.034 119.034 120.156 -1.122 18115
6685 1 16 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.827 -0.133 18115
6686 1 16 . 1 1 60 60 LYS C C 595 178.057 178.057 178.537 -0.480 18115
6687 1 16 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.564 -1.417 18115
6688 1 16 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.805 -1.028 18115
6689 1 16 . 1 1 60 60 LYS H H 595 7.733 7.733 7.661 0.072 18115
6690 1 16 . 1 1 61 61 ARG N N 596 120.071 120.071 119.459 0.612 18115
6691 1 16 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.720 -0.072 18115
6692 1 16 . 1 1 61 61 ARG C C 596 177.921 177.921 178.111 -0.190 18115
6693 1 16 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.908 0.270 18115
6694 1 16 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.026 -0.221 18115
6695 1 16 . 1 1 61 61 ARG H H 596 8.167 8.167 8.421 -0.254 18115
6696 1 16 . 1 1 62 62 LYS N N 597 118.731 118.731 118.425 0.306 18115
6697 1 16 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.205 -0.319 18115
6698 1 16 . 1 1 62 62 LYS C C 597 178.963 178.963 179.575 -0.612 18115
6699 1 16 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.370 0.867 18115
6700 1 16 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.624 0.275 18115
6701 1 16 . 1 1 62 62 LYS H H 597 7.948 7.948 7.723 0.225 18115
6702 1 16 . 1 1 63 63 GLU N N 598 118.881 118.881 119.962 -1.081 18115
6703 1 16 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.966 -0.090 18115
6704 1 16 . 1 1 63 63 GLU C C 598 179.408 179.408 179.057 0.351 18115
6705 1 16 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.157 0.228 18115
6706 1 16 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.526 0.877 18115
6707 1 16 . 1 1 63 63 GLU H H 598 7.794 7.794 7.715 0.079 18115
6708 1 16 . 1 1 64 64 LEU N N 599 119.904 119.904 120.388 -0.484 18115
6709 1 16 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.946 0.124 18115
6710 1 16 . 1 1 64 64 LEU C C 599 178.814 178.814 179.233 -0.419 18115
6711 1 16 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.973 0.023 18115
6712 1 16 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.354 0.666 18115
6713 1 16 . 1 1 64 64 LEU H H 599 7.800 7.800 8.223 -0.423 18115
6714 1 16 . 1 1 65 65 GLU N N 600 122.446 122.446 119.832 2.614 18115
6715 1 16 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.100 0.066 18115
6716 1 16 . 1 1 65 65 GLU C C 600 178.550 178.550 179.216 -0.666 18115
6717 1 16 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.487 0.244 18115
6718 1 16 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.405 0.864 18115
6719 1 16 . 1 1 65 65 GLU H H 600 8.948 8.948 8.420 0.528 18115
6720 1 16 . 1 1 66 66 GLN N N 601 116.068 116.068 118.105 -2.037 18115
6721 1 16 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.062 -0.111 18115
6722 1 16 . 1 1 66 66 GLN C C 601 178.277 178.277 178.407 -0.130 18115
6723 1 16 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.406 0.120 18115
6724 1 16 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.703 -0.081 18115
6725 1 16 . 1 1 66 66 GLN H H 601 8.109 8.109 7.679 0.430 18115
6726 1 16 . 1 1 67 67 VAL N N 602 116.121 116.121 118.369 -2.248 18115
6727 1 16 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.932 -0.127 18115
6728 1 16 . 1 1 67 67 VAL C C 602 177.423 177.423 177.196 0.227 18115
6729 1 16 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.679 0.426 18115
6730 1 16 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.050 1.127 18115
6731 1 16 . 1 1 67 67 VAL H H 602 7.171 7.171 7.607 -0.436 18115
6732 1 16 . 1 1 68 68 CYS N N 603 114.504 114.504 115.151 -0.647 18115
6733 1 16 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.350 -0.352 18115
6734 1 16 . 1 1 68 68 CYS C C 603 176.503 176.503 176.443 0.060 18115
6735 1 16 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.065 3.260 18115
6736 1 16 . 1 1 68 68 CYS CB C 603 28.665 28.665 27.352 1.313 18115
6737 1 16 . 1 1 68 68 CYS H H 603 8.138 8.138 8.144 -0.006 18115
6738 1 16 . 1 1 69 69 ASN N N 604 119.915 119.915 121.968 -2.053 18115
6739 1 16 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.515 0.059 18115
6740 1 16 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.629 0.186 18115
6741 1 16 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.433 -0.618 18115
6742 1 16 . 1 1 69 69 ASN H H 604 9.045 9.045 8.569 0.476 18115
6743 1 16 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.253 0.018 18115
6744 1 16 . 1 1 70 70 PRO C C 605 177.471 177.471 177.400 0.071 18115
6745 1 16 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.310 0.360 18115
6746 1 16 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.284 0.304 18115
6747 1 16 . 1 1 71 71 ILE N N 606 115.752 115.752 114.275 1.477 18115
6748 1 16 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.077 -0.259 18115
6749 1 16 . 1 1 71 71 ILE C C 606 177.032 177.032 177.900 -0.868 18115
6750 1 16 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.582 -0.264 18115
6751 1 16 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.401 1.223 18115
6752 1 16 . 1 1 71 71 ILE H H 606 6.851 6.851 7.365 -0.514 18115
6753 1 16 . 1 1 72 72 ILE N N 607 116.042 116.042 122.556 -6.514 18115
6754 1 16 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.801 0.205 18115
6755 1 16 . 1 1 72 72 ILE C C 607 177.236 177.236 178.381 -1.145 18115
6756 1 16 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.935 -2.209 18115
6757 1 16 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.378 0.924 18115
6758 1 16 . 1 1 72 72 ILE H H 607 8.032 8.032 8.841 -0.809 18115
6759 1 16 . 1 1 73 73 SER N N 608 115.855 115.855 116.661 -0.806 18115
6760 1 16 . 1 1 73 73 SER HA H 608 4.277 4.277 4.326 -0.049 18115
6761 1 16 . 1 1 73 73 SER C C 608 175.111 175.111 175.650 -0.539 18115
6762 1 16 . 1 1 73 73 SER CA C 608 60.134 60.134 60.891 -0.756 18115
6763 1 16 . 1 1 73 73 SER CB C 608 63.480 63.480 63.212 0.268 18115
6764 1 16 . 1 1 73 73 SER H H 608 8.001 8.001 8.326 -0.325 18115
6765 1 16 . 1 1 74 74 GLY N N 609 109.991 109.991 108.072 1.919 18115
6766 1 16 . 1 1 74 74 GLY C C 609 173.508 173.508 173.471 0.037 18115
6767 1 16 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.738 0.577 18115
6768 1 16 . 1 1 74 74 GLY H H 609 7.924 7.924 7.554 0.370 18115
6769 1 17 . 1 1 3 3 ALA N N 538 127.340 127.340 122.751 4.589 18115
6770 1 17 . 1 1 3 3 ALA HA H 538 4.107 4.107 4.009 0.098 18115
6771 1 17 . 1 1 3 3 ALA C C 538 179.658 179.658 179.043 0.615 18115
6772 1 17 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.979 -0.188 18115
6773 1 17 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.378 0.229 18115
6774 1 17 . 1 1 3 3 ALA H H 538 8.781 8.781 8.513 0.268 18115
6775 1 17 . 1 1 4 4 LYS N N 539 120.439 120.439 117.372 3.067 18115
6776 1 17 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.467 -0.202 18115
6777 1 17 . 1 1 4 4 LYS C C 539 177.428 177.428 178.192 -0.764 18115
6778 1 17 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.951 0.790 18115
6779 1 17 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.642 0.601 18115
6780 1 17 . 1 1 4 4 LYS H H 539 8.006 8.006 7.273 0.733 18115
6781 1 17 . 1 1 5 5 ASN N N 540 117.109 117.109 117.684 -0.575 18115
6782 1 17 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.411 -0.030 18115
6783 1 17 . 1 1 5 5 ASN C C 540 177.598 177.598 177.690 -0.092 18115
6784 1 17 . 1 1 5 5 ASN CA C 540 55.758 55.758 55.947 -0.189 18115
6785 1 17 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.794 0.492 18115
6786 1 17 . 1 1 5 5 ASN H H 540 7.789 7.789 7.485 0.304 18115
6787 1 17 . 1 1 6 6 ALA N N 541 122.489 122.489 123.295 -0.806 18115
6788 1 17 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.015 0.089 18115
6789 1 17 . 1 1 6 6 ALA C C 541 180.393 180.393 179.340 1.053 18115
6790 1 17 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.254 -0.218 18115
6791 1 17 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.606 -0.451 18115
6792 1 17 . 1 1 6 6 ALA H H 541 8.209 8.209 8.095 0.114 18115
6793 1 17 . 1 1 7 7 LEU N N 542 120.603 120.603 119.604 0.999 18115
6794 1 17 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.088 0.105 18115
6795 1 17 . 1 1 7 7 LEU C C 542 177.015 177.015 179.223 -2.208 18115
6796 1 17 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.221 -0.266 18115
6797 1 17 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.890 0.333 18115
6798 1 17 . 1 1 7 7 LEU H H 542 7.775 7.775 8.460 -0.685 18115
6799 1 17 . 1 1 8 8 GLU N N 543 119.550 119.550 120.362 -0.812 18115
6800 1 17 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.110 -0.555 18115
6801 1 17 . 1 1 8 8 GLU C C 543 177.949 177.949 179.201 -1.252 18115
6802 1 17 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.153 0.159 18115
6803 1 17 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.675 0.750 18115
6804 1 17 . 1 1 8 8 GLU H H 543 8.418 8.418 8.471 -0.053 18115
6805 1 17 . 1 1 9 9 SER N N 544 112.181 112.181 115.797 -3.616 18115
6806 1 17 . 1 1 9 9 SER HA H 544 4.192 4.192 4.135 0.057 18115
6807 1 17 . 1 1 9 9 SER C C 544 176.285 176.285 176.803 -0.518 18115
6808 1 17 . 1 1 9 9 SER CA C 544 61.890 61.890 61.755 0.135 18115
6809 1 17 . 1 1 9 9 SER CB C 544 63.000 63.000 63.222 -0.222 18115
6810 1 17 . 1 1 9 9 SER H H 544 8.313 8.313 8.121 0.192 18115
6811 1 17 . 1 1 10 10 TYR N N 545 122.309 122.309 123.307 -0.998 18115
6812 1 17 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.481 -0.092 18115
6813 1 17 . 1 1 10 10 TYR C C 545 177.193 177.193 177.466 -0.273 18115
6814 1 17 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.194 0.148 18115
6815 1 17 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.264 0.623 18115
6816 1 17 . 1 1 10 10 TYR H H 545 7.811 7.811 8.345 -0.534 18115
6817 1 17 . 1 1 11 11 ALA N N 546 120.404 120.404 122.234 -1.830 18115
6818 1 17 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.191 -0.402 18115
6819 1 17 . 1 1 11 11 ALA C C 546 179.480 179.480 180.155 -0.675 18115
6820 1 17 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.876 0.812 18115
6821 1 17 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.236 -0.610 18115
6822 1 17 . 1 1 11 11 ALA H H 546 8.456 8.456 8.704 -0.248 18115
6823 1 17 . 1 1 12 12 PHE N N 547 116.158 116.158 119.095 -2.937 18115
6824 1 17 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.099 0.046 18115
6825 1 17 . 1 1 12 12 PHE C C 547 179.133 179.133 177.943 1.190 18115
6826 1 17 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.992 -1.579 18115
6827 1 17 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.826 -0.546 18115
6828 1 17 . 1 1 12 12 PHE H H 547 8.430 8.430 9.052 -0.622 18115
6829 1 17 . 1 1 13 13 ASN N N 548 120.231 120.231 118.018 2.213 18115
6830 1 17 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.305 0.114 18115
6831 1 17 . 1 1 13 13 ASN C C 548 178.326 178.326 177.605 0.721 18115
6832 1 17 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.646 -0.694 18115
6833 1 17 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.478 -0.524 18115
6834 1 17 . 1 1 13 13 ASN H H 548 8.654 8.654 8.691 -0.037 18115
6835 1 17 . 1 1 14 14 MET N N 549 121.990 121.990 118.323 3.667 18115
6836 1 17 . 1 1 14 14 MET HA H 549 4.278 4.278 4.202 0.076 18115
6837 1 17 . 1 1 14 14 MET C C 549 176.929 176.929 178.032 -1.103 18115
6838 1 17 . 1 1 14 14 MET CA C 549 57.182 57.182 57.442 -0.260 18115
6839 1 17 . 1 1 14 14 MET CB C 549 32.998 32.998 31.813 1.185 18115
6840 1 17 . 1 1 14 14 MET H H 549 8.331 8.331 8.254 0.077 18115
6841 1 17 . 1 1 15 15 LYS N N 550 119.946 119.946 121.086 -1.140 18115
6842 1 17 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.875 -0.160 18115
6843 1 17 . 1 1 15 15 LYS C C 550 177.879 177.879 179.005 -1.126 18115
6844 1 17 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.222 -0.251 18115
6845 1 17 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.151 0.659 18115
6846 1 17 . 1 1 15 15 LYS H H 550 7.731 7.731 8.414 -0.683 18115
6847 1 17 . 1 1 16 16 SER N N 551 111.477 111.477 114.842 -3.365 18115
6848 1 17 . 1 1 16 16 SER HA H 551 4.093 4.093 4.239 -0.146 18115
6849 1 17 . 1 1 16 16 SER C C 551 177.031 177.031 176.026 1.005 18115
6850 1 17 . 1 1 16 16 SER CA C 551 61.173 61.173 60.707 0.466 18115
6851 1 17 . 1 1 16 16 SER CB C 551 63.007 63.007 62.857 0.150 18115
6852 1 17 . 1 1 16 16 SER H H 551 7.766 7.766 8.382 -0.616 18115
6853 1 17 . 1 1 17 17 ALA N N 552 123.689 123.689 122.208 1.481 18115
6854 1 17 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.143 -0.060 18115
6855 1 17 . 1 1 17 17 ALA C C 552 180.384 180.384 180.219 0.165 18115
6856 1 17 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.645 0.643 18115
6857 1 17 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.746 -0.581 18115
6858 1 17 . 1 1 17 17 ALA H H 552 8.089 8.089 7.692 0.397 18115
6859 1 17 . 1 1 18 18 VAL N N 553 109.294 109.294 114.278 -4.984 18115
6860 1 17 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.865 0.151 18115
6861 1 17 . 1 1 18 18 VAL C C 553 176.352 176.352 177.788 -1.436 18115
6862 1 17 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.184 -1.426 18115
6863 1 17 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.753 -0.101 18115
6864 1 17 . 1 1 18 18 VAL H H 553 7.560 7.560 7.716 -0.156 18115
6865 1 17 . 1 1 19 19 GLU N N 554 118.414 118.414 118.041 0.373 18115
6866 1 17 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.349 -0.134 18115
6867 1 17 . 1 1 19 19 GLU C C 554 176.794 176.794 176.204 0.590 18115
6868 1 17 . 1 1 19 19 GLU CA C 554 56.744 56.744 55.999 0.745 18115
6869 1 17 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.269 0.890 18115
6870 1 17 . 1 1 19 19 GLU H H 554 7.389 7.389 7.919 -0.530 18115
6871 1 17 . 1 1 20 20 ASP N N 555 120.735 120.735 120.516 0.219 18115
6872 1 17 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.530 -0.163 18115
6873 1 17 . 1 1 20 20 ASP C C 555 178.171 178.171 177.397 0.774 18115
6874 1 17 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.819 1.048 18115
6875 1 17 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.150 0.724 18115
6876 1 17 . 1 1 20 20 ASP H H 555 7.224 7.224 7.198 0.026 18115
6877 1 17 . 1 1 21 21 GLU N N 556 126.927 126.927 124.817 2.110 18115
6878 1 17 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.130 -0.149 18115
6879 1 17 . 1 1 21 21 GLU C C 556 178.691 178.691 176.280 2.411 18115
6880 1 17 . 1 1 21 21 GLU CA C 556 59.144 59.144 58.116 1.028 18115
6881 1 17 . 1 1 21 21 GLU CB C 556 29.550 29.550 28.902 0.648 18115
6882 1 17 . 1 1 21 21 GLU H H 556 9.007 9.007 8.895 0.112 18115
6883 1 17 . 1 1 22 22 GLY N N 557 108.255 108.255 106.785 1.470 18115
6884 1 17 . 1 1 22 22 GLY C C 557 175.344 175.344 174.961 0.383 18115
6885 1 17 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.109 1.299 18115
6886 1 17 . 1 1 22 22 GLY H H 557 9.031 9.031 8.312 0.719 18115
6887 1 17 . 1 1 23 23 LEU N N 558 119.463 119.463 120.568 -1.105 18115
6888 1 17 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.515 -0.169 18115
6889 1 17 . 1 1 23 23 LEU C C 558 177.893 177.893 177.528 0.365 18115
6890 1 17 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.500 0.420 18115
6891 1 17 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.166 0.220 18115
6892 1 17 . 1 1 23 23 LEU H H 558 7.606 7.606 7.447 0.159 18115
6893 1 17 . 1 1 24 24 LYS N N 559 120.994 120.994 120.096 0.898 18115
6894 1 17 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.027 0.045 18115
6895 1 17 . 1 1 24 24 LYS C C 559 177.830 177.830 178.397 -0.567 18115
6896 1 17 . 1 1 24 24 LYS CA C 559 58.477 58.477 59.273 -0.796 18115
6897 1 17 . 1 1 24 24 LYS CB C 559 32.359 32.359 32.009 0.350 18115
6898 1 17 . 1 1 24 24 LYS H H 559 7.572 7.572 7.556 0.016 18115
6899 1 17 . 1 1 25 25 GLY N N 560 111.895 111.895 103.478 8.417 18115
6900 1 17 . 1 1 25 25 GLY C C 560 174.451 174.451 175.059 -0.608 18115
6901 1 17 . 1 1 25 25 GLY CA C 560 45.586 45.586 44.515 1.071 18115
6902 1 17 . 1 1 25 25 GLY H H 560 8.770 8.770 8.358 0.412 18115
6903 1 17 . 1 1 26 26 LYS N N 561 118.925 118.925 119.536 -0.611 18115
6904 1 17 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.179 0.157 18115
6905 1 17 . 1 1 26 26 LYS C C 561 175.860 175.860 176.960 -1.100 18115
6906 1 17 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.264 -0.398 18115
6907 1 17 . 1 1 26 26 LYS CB C 561 34.201 34.201 32.795 1.406 18115
6908 1 17 . 1 1 26 26 LYS H H 561 8.116 8.116 7.642 0.474 18115
6909 1 17 . 1 1 27 27 ILE N N 562 116.463 116.463 119.673 -3.210 18115
6910 1 17 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.247 0.251 18115
6911 1 17 . 1 1 27 27 ILE C C 562 174.838 174.838 174.047 0.791 18115
6912 1 17 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.873 -0.485 18115
6913 1 17 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.566 0.103 18115
6914 1 17 . 1 1 27 27 ILE H H 562 7.430 7.430 7.414 0.016 18115
6915 1 17 . 1 1 28 28 SER N N 563 124.501 124.501 120.569 3.932 18115
6916 1 17 . 1 1 28 28 SER HA H 563 4.404 4.404 4.566 -0.162 18115
6917 1 17 . 1 1 28 28 SER C C 563 174.870 174.870 175.758 -0.888 18115
6918 1 17 . 1 1 28 28 SER CA C 563 57.432 57.432 58.134 -0.702 18115
6919 1 17 . 1 1 28 28 SER CB C 563 64.793 64.793 64.258 0.535 18115
6920 1 17 . 1 1 28 28 SER H H 563 9.375 9.375 8.543 0.832 18115
6921 1 17 . 1 1 29 29 GLU N N 564 122.048 122.048 124.605 -2.557 18115
6922 1 17 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.915 -0.015 18115
6923 1 17 . 1 1 29 29 GLU C C 564 179.396 179.396 178.511 0.885 18115
6924 1 17 . 1 1 29 29 GLU CA C 564 59.714 59.714 60.054 -0.340 18115
6925 1 17 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.380 -0.162 18115
6926 1 17 . 1 1 29 29 GLU H H 564 8.970 8.970 9.053 -0.083 18115
6927 1 17 . 1 1 30 30 ALA N N 565 120.829 120.829 123.053 -2.224 18115
6928 1 17 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.110 -0.064 18115
6929 1 17 . 1 1 30 30 ALA C C 565 180.524 180.524 179.246 1.278 18115
6930 1 17 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.351 -0.313 18115
6931 1 17 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.635 0.828 18115
6932 1 17 . 1 1 30 30 ALA H H 565 8.465 8.465 8.407 0.058 18115
6933 1 17 . 1 1 31 31 ASP N N 566 121.111 121.111 119.039 2.072 18115
6934 1 17 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.313 0.126 18115
6935 1 17 . 1 1 31 31 ASP C C 566 177.738 177.738 178.657 -0.919 18115
6936 1 17 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.868 -0.562 18115
6937 1 17 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.186 -0.231 18115
6938 1 17 . 1 1 31 31 ASP H H 566 7.835 7.835 8.425 -0.590 18115
6939 1 17 . 1 1 32 32 LYS N N 567 121.278 121.278 121.188 0.090 18115
6940 1 17 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.864 -0.271 18115
6941 1 17 . 1 1 32 32 LYS C C 567 177.700 177.700 178.904 -1.204 18115
6942 1 17 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.809 0.744 18115
6943 1 17 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.418 0.178 18115
6944 1 17 . 1 1 32 32 LYS H H 567 8.379 8.379 8.223 0.156 18115
6945 1 17 . 1 1 33 33 LYS N N 568 117.531 117.531 118.370 -0.839 18115
6946 1 17 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.968 -0.129 18115
6947 1 17 . 1 1 33 33 LYS C C 568 177.391 177.391 178.911 -1.520 18115
6948 1 17 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.772 -0.365 18115
6949 1 17 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.514 -0.033 18115
6950 1 17 . 1 1 33 33 LYS H H 568 7.846 7.846 8.414 -0.568 18115
6951 1 17 . 1 1 34 34 LYS N N 569 118.376 118.376 119.720 -1.344 18115
6952 1 17 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.044 -0.045 18115
6953 1 17 . 1 1 34 34 LYS C C 569 180.064 180.064 179.019 1.045 18115
6954 1 17 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.303 0.650 18115
6955 1 17 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.209 0.645 18115
6956 1 17 . 1 1 34 34 LYS H H 569 7.647 7.647 8.089 -0.442 18115
6957 1 17 . 1 1 35 35 VAL N N 570 118.353 118.353 120.955 -2.602 18115
6958 1 17 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.752 -0.278 18115
6959 1 17 . 1 1 35 35 VAL C C 570 178.019 178.019 177.425 0.594 18115
6960 1 17 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.850 1.102 18115
6961 1 17 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.109 0.424 18115
6962 1 17 . 1 1 35 35 VAL H H 570 7.638 7.638 7.865 -0.227 18115
6963 1 17 . 1 1 36 36 LEU N N 571 120.671 120.671 121.483 -0.812 18115
6964 1 17 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.831 -0.041 18115
6965 1 17 . 1 1 36 36 LEU C C 571 180.444 180.444 179.102 1.342 18115
6966 1 17 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.814 0.099 18115
6967 1 17 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.397 -0.189 18115
6968 1 17 . 1 1 36 36 LEU H H 571 8.693 8.693 8.234 0.459 18115
6969 1 17 . 1 1 37 37 ASP N N 572 120.071 120.071 118.727 1.344 18115
6970 1 17 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.332 -0.013 18115
6971 1 17 . 1 1 37 37 ASP C C 572 179.345 179.345 178.580 0.765 18115
6972 1 17 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.877 -0.594 18115
6973 1 17 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.886 -1.210 18115
6974 1 17 . 1 1 37 37 ASP H H 572 9.265 9.265 8.313 0.952 18115
6975 1 17 . 1 1 38 38 LYS N N 573 121.858 121.858 120.746 1.112 18115
6976 1 17 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.163 0.097 18115
6977 1 17 . 1 1 38 38 LYS C C 573 178.856 178.856 178.707 0.149 18115
6978 1 17 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.605 -1.544 18115
6979 1 17 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.773 -0.787 18115
6980 1 17 . 1 1 38 38 LYS H H 573 7.674 7.674 7.869 -0.195 18115
6981 1 17 . 1 1 39 39 CYS N N 574 117.635 117.635 118.559 -0.924 18115
6982 1 17 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.092 -0.229 18115
6983 1 17 . 1 1 39 39 CYS C C 574 176.479 176.479 177.044 -0.565 18115
6984 1 17 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.225 1.345 18115
6985 1 17 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.978 -0.298 18115
6986 1 17 . 1 1 39 39 CYS H H 574 8.818 8.818 8.762 0.056 18115
6987 1 17 . 1 1 40 40 GLN N N 575 118.089 118.089 118.811 -0.722 18115
6988 1 17 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.057 -0.098 18115
6989 1 17 . 1 1 40 40 GLN C C 575 178.023 178.023 178.353 -0.330 18115
6990 1 17 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.321 0.348 18115
6991 1 17 . 1 1 40 40 GLN CB C 575 28.090 28.090 27.894 0.196 18115
6992 1 17 . 1 1 40 40 GLN H H 575 8.203 8.203 8.373 -0.170 18115
6993 1 17 . 1 1 41 41 GLU N N 576 121.535 121.535 120.776 0.759 18115
6994 1 17 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.077 -0.085 18115
6995 1 17 . 1 1 41 41 GLU C C 576 179.586 179.586 179.067 0.519 18115
6996 1 17 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.837 0.052 18115
6997 1 17 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.623 0.390 18115
6998 1 17 . 1 1 41 41 GLU H H 576 8.074 8.074 7.979 0.095 18115
6999 1 17 . 1 1 42 42 VAL N N 577 120.038 120.038 120.261 -0.223 18115
7000 1 17 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.833 -0.122 18115
7001 1 17 . 1 1 42 42 VAL C C 577 177.102 177.102 178.041 -0.939 18115
7002 1 17 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.710 1.410 18115
7003 1 17 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.934 -0.402 18115
7004 1 17 . 1 1 42 42 VAL H H 577 8.144 8.144 8.109 0.035 18115
7005 1 17 . 1 1 43 43 ILE N N 578 122.306 122.306 120.677 1.629 18115
7006 1 17 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.774 -0.077 18115
7007 1 17 . 1 1 43 43 ILE C C 578 178.491 178.491 178.132 0.359 18115
7008 1 17 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.217 -0.599 18115
7009 1 17 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.733 -0.046 18115
7010 1 17 . 1 1 43 43 ILE H H 578 8.504 8.504 8.583 -0.079 18115
7011 1 17 . 1 1 44 44 SER N N 579 115.928 115.928 115.605 0.323 18115
7012 1 17 . 1 1 44 44 SER HA H 579 4.265 4.265 4.303 -0.038 18115
7013 1 17 . 1 1 44 44 SER C C 579 177.129 177.129 176.460 0.669 18115
7014 1 17 . 1 1 44 44 SER CA C 579 62.208 62.208 61.167 1.041 18115
7015 1 17 . 1 1 44 44 SER CB C 579 62.906 62.906 62.919 -0.013 18115
7016 1 17 . 1 1 44 44 SER H H 579 8.562 8.562 8.488 0.074 18115
7017 1 17 . 1 1 45 45 TRP N N 580 124.917 124.917 124.591 0.326 18115
7018 1 17 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.350 -0.309 18115
7019 1 17 . 1 1 45 45 TRP C C 580 179.278 179.278 177.622 1.656 18115
7020 1 17 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.707 0.798 18115
7021 1 17 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.495 -0.977 18115
7022 1 17 . 1 1 45 45 TRP H H 580 8.406 8.406 8.306 0.100 18115
7023 1 17 . 1 1 46 46 LEU N N 581 122.211 122.211 119.930 2.281 18115
7024 1 17 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.842 -0.186 18115
7025 1 17 . 1 1 46 46 LEU C C 581 179.119 179.119 179.513 -0.394 18115
7026 1 17 . 1 1 46 46 LEU CA C 581 58.434 58.434 57.943 0.491 18115
7027 1 17 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.838 0.701 18115
7028 1 17 . 1 1 46 46 LEU H H 581 9.012 9.012 8.760 0.252 18115
7029 1 17 . 1 1 47 47 ASP N N 582 117.724 117.724 118.652 -0.928 18115
7030 1 17 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.361 -0.083 18115
7031 1 17 . 1 1 47 47 ASP C C 582 177.154 177.154 177.540 -0.386 18115
7032 1 17 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.879 -0.085 18115
7033 1 17 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.018 0.171 18115
7034 1 17 . 1 1 47 47 ASP H H 582 7.665 7.665 7.938 -0.273 18115
7035 1 17 . 1 1 48 48 ALA N N 583 118.604 118.604 120.238 -1.634 18115
7036 1 17 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.191 0.097 18115
7037 1 17 . 1 1 48 48 ALA C C 583 177.776 177.776 177.629 0.147 18115
7038 1 17 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.584 -1.231 18115
7039 1 17 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.545 0.348 18115
7040 1 17 . 1 1 48 48 ALA H H 583 7.129 7.129 7.317 -0.188 18115
7041 1 17 . 1 1 49 49 ASN N N 584 118.883 118.883 116.511 2.372 18115
7042 1 17 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.866 -0.195 18115
7043 1 17 . 1 1 49 49 ASN C C 584 174.761 174.761 175.083 -0.322 18115
7044 1 17 . 1 1 49 49 ASN CA C 584 52.848 52.848 51.934 0.915 18115
7045 1 17 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.688 -0.720 18115
7046 1 17 . 1 1 49 49 ASN H H 584 7.284 7.284 7.727 -0.443 18115
7047 1 17 . 1 1 50 50 THR N N 585 112.258 112.258 112.996 -0.738 18115
7048 1 17 . 1 1 50 50 THR HA H 585 3.967 3.967 4.313 -0.346 18115
7049 1 17 . 1 1 50 50 THR C C 585 175.787 175.787 175.569 0.218 18115
7050 1 17 . 1 1 50 50 THR CA C 585 65.175 65.175 63.598 1.577 18115
7051 1 17 . 1 1 50 50 THR CB C 585 69.336 69.336 68.804 0.532 18115
7052 1 17 . 1 1 50 50 THR H H 585 7.615 7.615 7.976 -0.361 18115
7053 1 17 . 1 1 51 51 LEU N N 586 120.550 120.550 119.541 1.009 18115
7054 1 17 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.481 0.062 18115
7055 1 17 . 1 1 51 51 LEU C C 586 176.635 176.635 177.165 -0.530 18115
7056 1 17 . 1 1 51 51 LEU CA C 586 53.961 53.961 54.205 -0.244 18115
7057 1 17 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.550 0.522 18115
7058 1 17 . 1 1 51 51 LEU H H 586 8.254 8.254 7.712 0.542 18115
7059 1 17 . 1 1 52 52 ALA N N 587 123.048 123.048 123.279 -0.231 18115
7060 1 17 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.155 -0.079 18115
7061 1 17 . 1 1 52 52 ALA C C 587 176.356 176.356 177.178 -0.822 18115
7062 1 17 . 1 1 52 52 ALA CA C 587 52.596 52.596 51.984 0.612 18115
7063 1 17 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.352 0.079 18115
7064 1 17 . 1 1 52 52 ALA H H 587 7.124 7.124 7.104 0.020 18115
7065 1 17 . 1 1 53 53 GLU N N 588 118.471 118.471 120.619 -2.148 18115
7066 1 17 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.485 -0.125 18115
7067 1 17 . 1 1 53 53 GLU C C 588 177.945 177.945 178.302 -0.357 18115
7068 1 17 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.852 -0.115 18115
7069 1 17 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.917 0.282 18115
7070 1 17 . 1 1 53 53 GLU H H 588 8.429 8.429 8.342 0.087 18115
7071 1 17 . 1 1 54 54 LYS N N 589 121.635 121.635 121.093 0.542 18115
7072 1 17 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.262 -0.112 18115
7073 1 17 . 1 1 54 54 LYS C C 589 178.445 178.445 178.652 -0.207 18115
7074 1 17 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.050 0.657 18115
7075 1 17 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.309 0.481 18115
7076 1 17 . 1 1 54 54 LYS H H 589 8.763 8.763 8.818 -0.055 18115
7077 1 17 . 1 1 55 55 ASP N N 590 116.537 116.537 118.857 -2.320 18115
7078 1 17 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.473 -0.153 18115
7079 1 17 . 1 1 55 55 ASP C C 590 178.649 178.649 178.526 0.123 18115
7080 1 17 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.449 -0.437 18115
7081 1 17 . 1 1 55 55 ASP CB C 590 40.089 40.089 40.569 -0.480 18115
7082 1 17 . 1 1 55 55 ASP H H 590 8.814 8.814 8.690 0.124 18115
7083 1 17 . 1 1 56 56 GLU N N 591 119.611 119.611 119.618 -0.007 18115
7084 1 17 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.120 -0.055 18115
7085 1 17 . 1 1 56 56 GLU C C 591 179.582 179.582 178.873 0.709 18115
7086 1 17 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.448 0.065 18115
7087 1 17 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.364 0.449 18115
7088 1 17 . 1 1 56 56 GLU H H 591 7.785 7.785 7.948 -0.163 18115
7089 1 17 . 1 1 57 57 PHE N N 592 117.509 117.509 118.472 -0.963 18115
7090 1 17 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.358 -0.133 18115
7091 1 17 . 1 1 57 57 PHE C C 592 178.436 178.436 178.018 0.418 18115
7092 1 17 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.971 -0.360 18115
7093 1 17 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.515 0.319 18115
7094 1 17 . 1 1 57 57 PHE H H 592 7.443 7.443 7.442 0.001 18115
7095 1 17 . 1 1 58 58 GLU N N 593 118.501 118.501 119.900 -1.399 18115
7096 1 17 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.966 0.168 18115
7097 1 17 . 1 1 58 58 GLU C C 593 178.855 178.855 179.518 -0.663 18115
7098 1 17 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.734 -0.750 18115
7099 1 17 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.012 0.056 18115
7100 1 17 . 1 1 58 58 GLU H H 593 7.952 7.952 8.832 -0.880 18115
7101 1 17 . 1 1 59 59 HIS N N 594 118.563 118.563 117.869 0.694 18115
7102 1 17 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.265 -0.052 18115
7103 1 17 . 1 1 59 59 HIS C C 594 177.856 177.856 177.420 0.436 18115
7104 1 17 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.968 -0.700 18115
7105 1 17 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.847 -0.810 18115
7106 1 17 . 1 1 59 59 HIS H H 594 8.126 8.126 8.484 -0.358 18115
7107 1 17 . 1 1 60 60 LYS N N 595 119.034 119.034 120.307 -1.273 18115
7108 1 17 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.826 -0.132 18115
7109 1 17 . 1 1 60 60 LYS C C 595 178.057 178.057 178.503 -0.446 18115
7110 1 17 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.259 -1.112 18115
7111 1 17 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.735 -0.959 18115
7112 1 17 . 1 1 60 60 LYS H H 595 7.733 7.733 7.740 -0.007 18115
7113 1 17 . 1 1 61 61 ARG N N 596 120.071 120.071 119.082 0.989 18115
7114 1 17 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.688 -0.040 18115
7115 1 17 . 1 1 61 61 ARG C C 596 177.921 177.921 178.194 -0.273 18115
7116 1 17 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.607 0.571 18115
7117 1 17 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.000 -0.195 18115
7118 1 17 . 1 1 61 61 ARG H H 596 8.167 8.167 8.493 -0.326 18115
7119 1 17 . 1 1 62 62 LYS N N 597 118.731 118.731 118.510 0.221 18115
7120 1 17 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.035 -0.149 18115
7121 1 17 . 1 1 62 62 LYS C C 597 178.963 178.963 179.059 -0.096 18115
7122 1 17 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.555 0.682 18115
7123 1 17 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.757 0.142 18115
7124 1 17 . 1 1 62 62 LYS H H 597 7.948 7.948 7.543 0.405 18115
7125 1 17 . 1 1 63 63 GLU N N 598 118.881 118.881 120.489 -1.608 18115
7126 1 17 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.961 -0.085 18115
7127 1 17 . 1 1 63 63 GLU C C 598 179.408 179.408 179.084 0.324 18115
7128 1 17 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.267 0.118 18115
7129 1 17 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.537 0.866 18115
7130 1 17 . 1 1 63 63 GLU H H 598 7.794 7.794 8.069 -0.275 18115
7131 1 17 . 1 1 64 64 LEU N N 599 119.904 119.904 120.227 -0.323 18115
7132 1 17 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.974 0.096 18115
7133 1 17 . 1 1 64 64 LEU C C 599 178.814 178.814 178.369 0.445 18115
7134 1 17 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.691 0.305 18115
7135 1 17 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.478 0.542 18115
7136 1 17 . 1 1 64 64 LEU H H 599 7.800 7.800 8.376 -0.576 18115
7137 1 17 . 1 1 65 65 GLU N N 600 122.446 122.446 119.901 2.545 18115
7138 1 17 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.100 0.066 18115
7139 1 17 . 1 1 65 65 GLU C C 600 178.550 178.550 179.310 -0.760 18115
7140 1 17 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.388 0.343 18115
7141 1 17 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.561 0.708 18115
7142 1 17 . 1 1 65 65 GLU H H 600 8.948 8.948 7.931 1.017 18115
7143 1 17 . 1 1 66 66 GLN N N 601 116.068 116.068 118.246 -2.178 18115
7144 1 17 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.078 -0.127 18115
7145 1 17 . 1 1 66 66 GLN C C 601 178.277 178.277 178.175 0.102 18115
7146 1 17 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.375 0.151 18115
7147 1 17 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.799 -0.177 18115
7148 1 17 . 1 1 66 66 GLN H H 601 8.109 8.109 7.866 0.243 18115
7149 1 17 . 1 1 67 67 VAL N N 602 116.121 116.121 119.641 -3.520 18115
7150 1 17 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.928 -0.123 18115
7151 1 17 . 1 1 67 67 VAL C C 602 177.423 177.423 176.955 0.468 18115
7152 1 17 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.487 0.618 18115
7153 1 17 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.104 1.073 18115
7154 1 17 . 1 1 67 67 VAL H H 602 7.171 7.171 7.700 -0.529 18115
7155 1 17 . 1 1 68 68 CYS N N 603 114.504 114.504 114.574 -0.070 18115
7156 1 17 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.322 -0.324 18115
7157 1 17 . 1 1 68 68 CYS C C 603 176.503 176.503 176.458 0.045 18115
7158 1 17 . 1 1 68 68 CYS CA C 603 63.325 63.325 59.996 3.329 18115
7159 1 17 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.309 0.356 18115
7160 1 17 . 1 1 68 68 CYS H H 603 8.138 8.138 8.164 -0.026 18115
7161 1 17 . 1 1 69 69 ASN N N 604 119.915 119.915 121.611 -1.696 18115
7162 1 17 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.523 0.051 18115
7163 1 17 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.446 0.369 18115
7164 1 17 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.411 -0.596 18115
7165 1 17 . 1 1 69 69 ASN H H 604 9.045 9.045 8.575 0.470 18115
7166 1 17 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.272 -0.001 18115
7167 1 17 . 1 1 70 70 PRO C C 605 177.471 177.471 177.147 0.324 18115
7168 1 17 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.590 0.080 18115
7169 1 17 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.508 0.080 18115
7170 1 17 . 1 1 71 71 ILE N N 606 115.752 115.752 114.690 1.062 18115
7171 1 17 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.036 -0.218 18115
7172 1 17 . 1 1 71 71 ILE C C 606 177.032 177.032 178.028 -0.996 18115
7173 1 17 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.901 -0.583 18115
7174 1 17 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.221 1.403 18115
7175 1 17 . 1 1 71 71 ILE H H 606 6.851 6.851 7.385 -0.534 18115
7176 1 17 . 1 1 72 72 ILE N N 607 116.042 116.042 122.518 -6.476 18115
7177 1 17 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.777 0.229 18115
7178 1 17 . 1 1 72 72 ILE C C 607 177.236 177.236 178.319 -1.083 18115
7179 1 17 . 1 1 72 72 ILE CA C 607 61.726 61.726 64.133 -2.408 18115
7180 1 17 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.766 0.536 18115
7181 1 17 . 1 1 72 72 ILE H H 607 8.032 8.032 8.740 -0.708 18115
7182 1 17 . 1 1 73 73 SER N N 608 115.855 115.855 116.291 -0.436 18115
7183 1 17 . 1 1 73 73 SER HA H 608 4.277 4.277 4.312 -0.035 18115
7184 1 17 . 1 1 73 73 SER C C 608 175.111 175.111 175.930 -0.819 18115
7185 1 17 . 1 1 73 73 SER CA C 608 60.134 60.134 61.170 -1.036 18115
7186 1 17 . 1 1 73 73 SER CB C 608 63.480 63.480 62.882 0.598 18115
7187 1 17 . 1 1 73 73 SER H H 608 8.001 8.001 8.610 -0.609 18115
7188 1 17 . 1 1 74 74 GLY N N 609 109.991 109.991 109.689 0.302 18115
7189 1 17 . 1 1 74 74 GLY C C 609 173.508 173.508 173.420 0.088 18115
7190 1 17 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.801 0.514 18115
7191 1 17 . 1 1 74 74 GLY H H 609 7.924 7.924 7.649 0.275 18115
7192 1 18 . 1 1 3 3 ALA N N 538 127.340 127.340 126.202 1.138 18115
7193 1 18 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.925 0.182 18115
7194 1 18 . 1 1 3 3 ALA C C 538 179.658 179.658 178.165 1.493 18115
7195 1 18 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.574 0.217 18115
7196 1 18 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.651 -0.044 18115
7197 1 18 . 1 1 3 3 ALA H H 538 8.781 8.781 8.340 0.441 18115
7198 1 18 . 1 1 4 4 LYS N N 539 120.439 120.439 118.052 2.387 18115
7199 1 18 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.732 -0.467 18115
7200 1 18 . 1 1 4 4 LYS C C 539 177.428 177.428 177.630 -0.202 18115
7201 1 18 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.764 0.977 18115
7202 1 18 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.546 0.696 18115
7203 1 18 . 1 1 4 4 LYS H H 539 8.006 8.006 7.539 0.467 18115
7204 1 18 . 1 1 5 5 ASN N N 540 117.109 117.109 117.357 -0.248 18115
7205 1 18 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.374 0.007 18115
7206 1 18 . 1 1 5 5 ASN C C 540 177.598 177.598 177.233 0.365 18115
7207 1 18 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.156 -0.398 18115
7208 1 18 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.856 0.430 18115
7209 1 18 . 1 1 5 5 ASN H H 540 7.789 7.789 8.170 -0.381 18115
7210 1 18 . 1 1 6 6 ALA N N 541 122.489 122.489 123.018 -0.529 18115
7211 1 18 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.153 -0.049 18115
7212 1 18 . 1 1 6 6 ALA C C 541 180.393 180.393 180.078 0.315 18115
7213 1 18 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.089 -0.053 18115
7214 1 18 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.421 -0.266 18115
7215 1 18 . 1 1 6 6 ALA H H 541 8.209 8.209 8.283 -0.074 18115
7216 1 18 . 1 1 7 7 LEU N N 542 120.603 120.603 119.916 0.687 18115
7217 1 18 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.053 0.140 18115
7218 1 18 . 1 1 7 7 LEU C C 542 177.015 177.015 179.215 -2.200 18115
7219 1 18 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.244 -0.289 18115
7220 1 18 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.773 0.450 18115
7221 1 18 . 1 1 7 7 LEU H H 542 7.775 7.775 8.375 -0.600 18115
7222 1 18 . 1 1 8 8 GLU N N 543 119.550 119.550 120.086 -0.536 18115
7223 1 18 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.111 -0.556 18115
7224 1 18 . 1 1 8 8 GLU C C 543 177.949 177.949 179.170 -1.221 18115
7225 1 18 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.405 -0.093 18115
7226 1 18 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.851 0.574 18115
7227 1 18 . 1 1 8 8 GLU H H 543 8.418 8.418 8.935 -0.517 18115
7228 1 18 . 1 1 9 9 SER N N 544 112.181 112.181 116.096 -3.915 18115
7229 1 18 . 1 1 9 9 SER HA H 544 4.192 4.192 4.194 -0.002 18115
7230 1 18 . 1 1 9 9 SER C C 544 176.285 176.285 176.876 -0.591 18115
7231 1 18 . 1 1 9 9 SER CA C 544 61.890 61.890 62.078 -0.188 18115
7232 1 18 . 1 1 9 9 SER CB C 544 63.000 63.000 63.081 -0.081 18115
7233 1 18 . 1 1 9 9 SER H H 544 8.313 8.313 7.964 0.349 18115
7234 1 18 . 1 1 10 10 TYR N N 545 122.309 122.309 123.379 -1.070 18115
7235 1 18 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.172 0.217 18115
7236 1 18 . 1 1 10 10 TYR C C 545 177.193 177.193 176.942 0.251 18115
7237 1 18 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.248 0.094 18115
7238 1 18 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.365 0.522 18115
7239 1 18 . 1 1 10 10 TYR H H 545 7.811 7.811 8.279 -0.468 18115
7240 1 18 . 1 1 11 11 ALA N N 546 120.404 120.404 122.579 -2.175 18115
7241 1 18 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.212 -0.423 18115
7242 1 18 . 1 1 11 11 ALA C C 546 179.480 179.480 180.187 -0.707 18115
7243 1 18 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.919 0.769 18115
7244 1 18 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.260 -0.634 18115
7245 1 18 . 1 1 11 11 ALA H H 546 8.456 8.456 8.763 -0.307 18115
7246 1 18 . 1 1 12 12 PHE N N 547 116.158 116.158 118.376 -2.218 18115
7247 1 18 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.124 0.021 18115
7248 1 18 . 1 1 12 12 PHE C C 547 179.133 179.133 177.941 1.192 18115
7249 1 18 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.929 -1.516 18115
7250 1 18 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.701 -0.421 18115
7251 1 18 . 1 1 12 12 PHE H H 547 8.430 8.430 9.250 -0.820 18115
7252 1 18 . 1 1 13 13 ASN N N 548 120.231 120.231 118.677 1.554 18115
7253 1 18 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.537 -0.118 18115
7254 1 18 . 1 1 13 13 ASN C C 548 178.326 178.326 177.864 0.462 18115
7255 1 18 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.271 -0.319 18115
7256 1 18 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.397 -0.443 18115
7257 1 18 . 1 1 13 13 ASN H H 548 8.654 8.654 8.119 0.535 18115
7258 1 18 . 1 1 14 14 MET N N 549 121.990 121.990 118.649 3.341 18115
7259 1 18 . 1 1 14 14 MET HA H 549 4.278 4.278 4.183 0.095 18115
7260 1 18 . 1 1 14 14 MET C C 549 176.929 176.929 178.332 -1.403 18115
7261 1 18 . 1 1 14 14 MET CA C 549 57.182 57.182 57.879 -0.697 18115
7262 1 18 . 1 1 14 14 MET CB C 549 32.998 32.998 31.800 1.198 18115
7263 1 18 . 1 1 14 14 MET H H 549 8.331 8.331 8.282 0.049 18115
7264 1 18 . 1 1 15 15 LYS N N 550 119.946 119.946 120.870 -0.924 18115
7265 1 18 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.928 -0.213 18115
7266 1 18 . 1 1 15 15 LYS C C 550 177.879 177.879 179.005 -1.126 18115
7267 1 18 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.093 -0.122 18115
7268 1 18 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.255 0.555 18115
7269 1 18 . 1 1 15 15 LYS H H 550 7.731 7.731 8.503 -0.772 18115
7270 1 18 . 1 1 16 16 SER N N 551 111.477 111.477 115.651 -4.174 18115
7271 1 18 . 1 1 16 16 SER HA H 551 4.093 4.093 4.170 -0.077 18115
7272 1 18 . 1 1 16 16 SER C C 551 177.031 177.031 176.053 0.978 18115
7273 1 18 . 1 1 16 16 SER CA C 551 61.173 61.173 61.504 -0.331 18115
7274 1 18 . 1 1 16 16 SER CB C 551 63.007 63.007 63.009 -0.002 18115
7275 1 18 . 1 1 16 16 SER H H 551 7.766 7.766 8.171 -0.405 18115
7276 1 18 . 1 1 17 17 ALA N N 552 123.689 123.689 122.424 1.265 18115
7277 1 18 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.174 -0.091 18115
7278 1 18 . 1 1 17 17 ALA C C 552 180.384 180.384 179.944 0.440 18115
7279 1 18 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.706 0.582 18115
7280 1 18 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.752 -0.586 18115
7281 1 18 . 1 1 17 17 ALA H H 552 8.089 8.089 7.781 0.308 18115
7282 1 18 . 1 1 18 18 VAL N N 553 109.294 109.294 114.157 -4.863 18115
7283 1 18 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.795 0.221 18115
7284 1 18 . 1 1 18 18 VAL C C 553 176.352 176.352 177.333 -0.981 18115
7285 1 18 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.265 -1.507 18115
7286 1 18 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.815 -0.163 18115
7287 1 18 . 1 1 18 18 VAL H H 553 7.560 7.560 7.711 -0.151 18115
7288 1 18 . 1 1 19 19 GLU N N 554 118.414 118.414 117.101 1.313 18115
7289 1 18 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.248 -0.033 18115
7290 1 18 . 1 1 19 19 GLU C C 554 176.794 176.794 176.341 0.453 18115
7291 1 18 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.263 0.481 18115
7292 1 18 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.307 0.852 18115
7293 1 18 . 1 1 19 19 GLU H H 554 7.389 7.389 7.658 -0.269 18115
7294 1 18 . 1 1 20 20 ASP N N 555 120.735 120.735 120.598 0.137 18115
7295 1 18 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.556 -0.189 18115
7296 1 18 . 1 1 20 20 ASP C C 555 178.171 178.171 176.863 1.308 18115
7297 1 18 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.489 1.378 18115
7298 1 18 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.600 0.274 18115
7299 1 18 . 1 1 20 20 ASP H H 555 7.224 7.224 7.243 -0.019 18115
7300 1 18 . 1 1 21 21 GLU N N 556 126.927 126.927 124.698 2.229 18115
7301 1 18 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.128 -0.147 18115
7302 1 18 . 1 1 21 21 GLU C C 556 178.691 178.691 176.794 1.897 18115
7303 1 18 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.678 1.466 18115
7304 1 18 . 1 1 21 21 GLU CB C 556 29.550 29.550 28.900 0.650 18115
7305 1 18 . 1 1 21 21 GLU H H 556 9.007 9.007 8.674 0.333 18115
7306 1 18 . 1 1 22 22 GLY N N 557 108.255 108.255 106.154 2.101 18115
7307 1 18 . 1 1 22 22 GLY C C 557 175.344 175.344 175.765 -0.421 18115
7308 1 18 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.341 1.067 18115
7309 1 18 . 1 1 22 22 GLY H H 557 9.031 9.031 8.128 0.903 18115
7310 1 18 . 1 1 23 23 LEU N N 558 119.463 119.463 123.016 -3.553 18115
7311 1 18 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.125 0.221 18115
7312 1 18 . 1 1 23 23 LEU C C 558 177.893 177.893 177.724 0.169 18115
7313 1 18 . 1 1 23 23 LEU CA C 558 54.920 54.920 56.371 -1.451 18115
7314 1 18 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.068 0.319 18115
7315 1 18 . 1 1 23 23 LEU H H 558 7.606 7.606 8.824 -1.218 18115
7316 1 18 . 1 1 24 24 LYS N N 559 120.994 120.994 117.977 3.017 18115
7317 1 18 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.225 -0.153 18115
7318 1 18 . 1 1 24 24 LYS C C 559 177.830 177.830 177.943 -0.113 18115
7319 1 18 . 1 1 24 24 LYS CA C 559 58.477 58.477 58.358 0.119 18115
7320 1 18 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.775 0.584 18115
7321 1 18 . 1 1 24 24 LYS H H 559 7.572 7.572 8.100 -0.528 18115
7322 1 18 . 1 1 25 25 GLY N N 560 111.895 111.895 106.365 5.530 18115
7323 1 18 . 1 1 25 25 GLY C C 560 174.451 174.451 174.850 -0.399 18115
7324 1 18 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.455 0.131 18115
7325 1 18 . 1 1 25 25 GLY H H 560 8.770 8.770 7.857 0.913 18115
7326 1 18 . 1 1 26 26 LYS N N 561 118.925 118.925 119.742 -0.817 18115
7327 1 18 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.415 -0.079 18115
7328 1 18 . 1 1 26 26 LYS C C 561 175.860 175.860 176.545 -0.685 18115
7329 1 18 . 1 1 26 26 LYS CA C 561 56.866 56.866 56.711 0.155 18115
7330 1 18 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.692 0.509 18115
7331 1 18 . 1 1 26 26 LYS H H 561 8.116 8.116 7.720 0.396 18115
7332 1 18 . 1 1 27 27 ILE N N 562 116.463 116.463 119.999 -3.536 18115
7333 1 18 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.197 0.301 18115
7334 1 18 . 1 1 27 27 ILE C C 562 174.838 174.838 174.251 0.587 18115
7335 1 18 . 1 1 27 27 ILE CA C 562 59.388 59.388 60.173 -0.785 18115
7336 1 18 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.601 0.068 18115
7337 1 18 . 1 1 27 27 ILE H H 562 7.430 7.430 7.744 -0.314 18115
7338 1 18 . 1 1 28 28 SER N N 563 124.501 124.501 121.607 2.894 18115
7339 1 18 . 1 1 28 28 SER HA H 563 4.404 4.404 4.613 -0.209 18115
7340 1 18 . 1 1 28 28 SER C C 563 174.870 174.870 175.525 -0.655 18115
7341 1 18 . 1 1 28 28 SER CA C 563 57.432 57.432 57.902 -0.470 18115
7342 1 18 . 1 1 28 28 SER CB C 563 64.793 64.793 64.433 0.360 18115
7343 1 18 . 1 1 28 28 SER H H 563 9.375 9.375 8.539 0.836 18115
7344 1 18 . 1 1 29 29 GLU N N 564 122.048 122.048 123.913 -1.865 18115
7345 1 18 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.969 -0.069 18115
7346 1 18 . 1 1 29 29 GLU C C 564 179.396 179.396 178.842 0.554 18115
7347 1 18 . 1 1 29 29 GLU CA C 564 59.714 59.714 60.217 -0.502 18115
7348 1 18 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.100 0.118 18115
7349 1 18 . 1 1 29 29 GLU H H 564 8.970 8.970 9.020 -0.050 18115
7350 1 18 . 1 1 30 30 ALA N N 565 120.829 120.829 121.893 -1.064 18115
7351 1 18 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.071 -0.025 18115
7352 1 18 . 1 1 30 30 ALA C C 565 180.524 180.524 179.721 0.803 18115
7353 1 18 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.422 -0.384 18115
7354 1 18 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.823 0.640 18115
7355 1 18 . 1 1 30 30 ALA H H 565 8.465 8.465 8.465 -0.000 18115
7356 1 18 . 1 1 31 31 ASP N N 566 121.111 121.111 118.726 2.385 18115
7357 1 18 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.317 0.122 18115
7358 1 18 . 1 1 31 31 ASP C C 566 177.738 177.738 178.542 -0.804 18115
7359 1 18 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.834 -0.527 18115
7360 1 18 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.381 -0.426 18115
7361 1 18 . 1 1 31 31 ASP H H 566 7.835 7.835 7.812 0.023 18115
7362 1 18 . 1 1 32 32 LYS N N 567 121.278 121.278 121.416 -0.138 18115
7363 1 18 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.861 -0.268 18115
7364 1 18 . 1 1 32 32 LYS C C 567 177.700 177.700 179.001 -1.301 18115
7365 1 18 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.810 0.743 18115
7366 1 18 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.428 0.168 18115
7367 1 18 . 1 1 32 32 LYS H H 567 8.379 8.379 8.227 0.152 18115
7368 1 18 . 1 1 33 33 LYS N N 568 117.531 117.531 118.175 -0.644 18115
7369 1 18 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.982 -0.143 18115
7370 1 18 . 1 1 33 33 LYS C C 568 177.391 177.391 178.890 -1.499 18115
7371 1 18 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.756 -0.349 18115
7372 1 18 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.519 -0.038 18115
7373 1 18 . 1 1 33 33 LYS H H 568 7.846 7.846 8.503 -0.657 18115
7374 1 18 . 1 1 34 34 LYS N N 569 118.376 118.376 119.911 -1.535 18115
7375 1 18 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.061 -0.062 18115
7376 1 18 . 1 1 34 34 LYS C C 569 180.064 180.064 178.982 1.082 18115
7377 1 18 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.287 0.666 18115
7378 1 18 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.210 0.644 18115
7379 1 18 . 1 1 34 34 LYS H H 569 7.647 7.647 8.079 -0.432 18115
7380 1 18 . 1 1 35 35 VAL N N 570 118.353 118.353 120.988 -2.635 18115
7381 1 18 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.758 -0.284 18115
7382 1 18 . 1 1 35 35 VAL C C 570 178.019 178.019 177.411 0.608 18115
7383 1 18 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.933 1.019 18115
7384 1 18 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.109 0.424 18115
7385 1 18 . 1 1 35 35 VAL H H 570 7.638 7.638 8.041 -0.403 18115
7386 1 18 . 1 1 36 36 LEU N N 571 120.671 120.671 121.491 -0.820 18115
7387 1 18 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.844 -0.054 18115
7388 1 18 . 1 1 36 36 LEU C C 571 180.444 180.444 179.044 1.400 18115
7389 1 18 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.788 0.124 18115
7390 1 18 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.401 -0.193 18115
7391 1 18 . 1 1 36 36 LEU H H 571 8.693 8.693 8.112 0.581 18115
7392 1 18 . 1 1 37 37 ASP N N 572 120.071 120.071 118.880 1.191 18115
7393 1 18 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.293 0.026 18115
7394 1 18 . 1 1 37 37 ASP C C 572 179.345 179.345 178.528 0.817 18115
7395 1 18 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.874 -0.591 18115
7396 1 18 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.932 -1.256 18115
7397 1 18 . 1 1 37 37 ASP H H 572 9.265 9.265 8.352 0.913 18115
7398 1 18 . 1 1 38 38 LYS N N 573 121.858 121.858 120.631 1.227 18115
7399 1 18 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.070 0.190 18115
7400 1 18 . 1 1 38 38 LYS C C 573 178.856 178.856 178.600 0.256 18115
7401 1 18 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.747 -1.686 18115
7402 1 18 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.754 -0.768 18115
7403 1 18 . 1 1 38 38 LYS H H 573 7.674 7.674 7.948 -0.274 18115
7404 1 18 . 1 1 39 39 CYS N N 574 117.635 117.635 118.313 -0.678 18115
7405 1 18 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.052 -0.189 18115
7406 1 18 . 1 1 39 39 CYS C C 574 176.479 176.479 176.979 -0.500 18115
7407 1 18 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.425 1.145 18115
7408 1 18 . 1 1 39 39 CYS CB C 574 26.680 26.680 27.076 -0.396 18115
7409 1 18 . 1 1 39 39 CYS H H 574 8.818 8.818 8.781 0.037 18115
7410 1 18 . 1 1 40 40 GLN N N 575 118.089 118.089 119.069 -0.980 18115
7411 1 18 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.028 -0.069 18115
7412 1 18 . 1 1 40 40 GLN C C 575 178.023 178.023 178.399 -0.376 18115
7413 1 18 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.705 -0.036 18115
7414 1 18 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.074 0.016 18115
7415 1 18 . 1 1 40 40 GLN H H 575 8.203 8.203 8.161 0.042 18115
7416 1 18 . 1 1 41 41 GLU N N 576 121.535 121.535 120.553 0.982 18115
7417 1 18 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.080 -0.088 18115
7418 1 18 . 1 1 41 41 GLU C C 576 179.586 179.586 179.076 0.510 18115
7419 1 18 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.736 0.153 18115
7420 1 18 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.573 0.440 18115
7421 1 18 . 1 1 41 41 GLU H H 576 8.074 8.074 7.840 0.234 18115
7422 1 18 . 1 1 42 42 VAL N N 577 120.038 120.038 120.378 -0.340 18115
7423 1 18 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.806 -0.095 18115
7424 1 18 . 1 1 42 42 VAL C C 577 177.102 177.102 178.064 -0.962 18115
7425 1 18 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.759 1.361 18115
7426 1 18 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.895 -0.363 18115
7427 1 18 . 1 1 42 42 VAL H H 577 8.144 8.144 7.983 0.161 18115
7428 1 18 . 1 1 43 43 ILE N N 578 122.306 122.306 120.072 2.234 18115
7429 1 18 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.752 -0.055 18115
7430 1 18 . 1 1 43 43 ILE C C 578 178.491 178.491 178.085 0.406 18115
7431 1 18 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.188 -0.570 18115
7432 1 18 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.672 0.015 18115
7433 1 18 . 1 1 43 43 ILE H H 578 8.504 8.504 8.533 -0.029 18115
7434 1 18 . 1 1 44 44 SER N N 579 115.928 115.928 115.573 0.355 18115
7435 1 18 . 1 1 44 44 SER HA H 579 4.265 4.265 4.252 0.013 18115
7436 1 18 . 1 1 44 44 SER C C 579 177.129 177.129 176.470 0.659 18115
7437 1 18 . 1 1 44 44 SER CA C 579 62.208 62.208 61.689 0.519 18115
7438 1 18 . 1 1 44 44 SER CB C 579 62.906 62.906 63.027 -0.121 18115
7439 1 18 . 1 1 44 44 SER H H 579 8.562 8.562 8.291 0.271 18115
7440 1 18 . 1 1 45 45 TRP N N 580 124.917 124.917 123.910 1.007 18115
7441 1 18 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.451 -0.410 18115
7442 1 18 . 1 1 45 45 TRP C C 580 179.278 179.278 177.852 1.426 18115
7443 1 18 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.164 1.341 18115
7444 1 18 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.596 -1.078 18115
7445 1 18 . 1 1 45 45 TRP H H 580 8.406 8.406 7.983 0.423 18115
7446 1 18 . 1 1 46 46 LEU N N 581 122.211 122.211 120.083 2.128 18115
7447 1 18 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.889 -0.233 18115
7448 1 18 . 1 1 46 46 LEU C C 581 179.119 179.119 179.125 -0.006 18115
7449 1 18 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.387 0.047 18115
7450 1 18 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.521 1.018 18115
7451 1 18 . 1 1 46 46 LEU H H 581 9.012 9.012 8.752 0.260 18115
7452 1 18 . 1 1 47 47 ASP N N 582 117.724 117.724 118.165 -0.441 18115
7453 1 18 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.457 -0.179 18115
7454 1 18 . 1 1 47 47 ASP C C 582 177.154 177.154 177.741 -0.587 18115
7455 1 18 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.680 0.114 18115
7456 1 18 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.121 0.068 18115
7457 1 18 . 1 1 47 47 ASP H H 582 7.665 7.665 7.911 -0.246 18115
7458 1 18 . 1 1 48 48 ALA N N 583 118.604 118.604 121.187 -2.583 18115
7459 1 18 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.305 -0.017 18115
7460 1 18 . 1 1 48 48 ALA C C 583 177.776 177.776 178.254 -0.478 18115
7461 1 18 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.641 -1.288 18115
7462 1 18 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.343 0.550 18115
7463 1 18 . 1 1 48 48 ALA H H 583 7.129 7.129 7.242 -0.113 18115
7464 1 18 . 1 1 49 49 ASN N N 584 118.883 118.883 116.117 2.766 18115
7465 1 18 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.865 -0.194 18115
7466 1 18 . 1 1 49 49 ASN C C 584 174.761 174.761 175.411 -0.650 18115
7467 1 18 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.151 0.697 18115
7468 1 18 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.255 -0.287 18115
7469 1 18 . 1 1 49 49 ASN H H 584 7.284 7.284 8.022 -0.738 18115
7470 1 18 . 1 1 50 50 THR N N 585 112.258 112.258 114.851 -2.593 18115
7471 1 18 . 1 1 50 50 THR HA H 585 3.967 3.967 4.238 -0.271 18115
7472 1 18 . 1 1 50 50 THR C C 585 175.787 175.787 174.983 0.804 18115
7473 1 18 . 1 1 50 50 THR CA C 585 65.175 65.175 64.795 0.380 18115
7474 1 18 . 1 1 50 50 THR CB C 585 69.336 69.336 68.915 0.422 18115
7475 1 18 . 1 1 50 50 THR H H 585 7.615 7.615 7.958 -0.343 18115
7476 1 18 . 1 1 51 51 LEU N N 586 120.550 120.550 118.922 1.628 18115
7477 1 18 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.526 0.017 18115
7478 1 18 . 1 1 51 51 LEU C C 586 176.635 176.635 176.963 -0.328 18115
7479 1 18 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.616 0.345 18115
7480 1 18 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.576 0.496 18115
7481 1 18 . 1 1 51 51 LEU H H 586 8.254 8.254 7.650 0.604 18115
7482 1 18 . 1 1 52 52 ALA N N 587 123.048 123.048 122.985 0.063 18115
7483 1 18 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.202 -0.126 18115
7484 1 18 . 1 1 52 52 ALA C C 587 176.356 176.356 177.413 -1.057 18115
7485 1 18 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.028 0.568 18115
7486 1 18 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.428 0.003 18115
7487 1 18 . 1 1 52 52 ALA H H 587 7.124 7.124 7.337 -0.213 18115
7488 1 18 . 1 1 53 53 GLU N N 588 118.471 118.471 120.074 -1.603 18115
7489 1 18 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.460 -0.100 18115
7490 1 18 . 1 1 53 53 GLU C C 588 177.945 177.945 178.279 -0.334 18115
7491 1 18 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.956 -0.219 18115
7492 1 18 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.873 0.326 18115
7493 1 18 . 1 1 53 53 GLU H H 588 8.429 8.429 8.342 0.087 18115
7494 1 18 . 1 1 54 54 LYS N N 589 121.635 121.635 121.504 0.131 18115
7495 1 18 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.185 -0.035 18115
7496 1 18 . 1 1 54 54 LYS C C 589 178.445 178.445 177.935 0.510 18115
7497 1 18 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.125 0.582 18115
7498 1 18 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.105 0.685 18115
7499 1 18 . 1 1 54 54 LYS H H 589 8.763 8.763 8.815 -0.052 18115
7500 1 18 . 1 1 55 55 ASP N N 590 116.537 116.537 118.389 -1.852 18115
7501 1 18 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.293 0.027 18115
7502 1 18 . 1 1 55 55 ASP C C 590 178.649 178.649 178.646 0.003 18115
7503 1 18 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.527 -0.515 18115
7504 1 18 . 1 1 55 55 ASP CB C 590 40.089 40.089 40.006 0.083 18115
7505 1 18 . 1 1 55 55 ASP H H 590 8.814 8.814 8.768 0.046 18115
7506 1 18 . 1 1 56 56 GLU N N 591 119.611 119.611 119.586 0.025 18115
7507 1 18 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.160 -0.095 18115
7508 1 18 . 1 1 56 56 GLU C C 591 179.582 179.582 178.919 0.663 18115
7509 1 18 . 1 1 56 56 GLU CA C 591 59.513 59.513 58.838 0.675 18115
7510 1 18 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.189 0.624 18115
7511 1 18 . 1 1 56 56 GLU H H 591 7.785 7.785 7.804 -0.019 18115
7512 1 18 . 1 1 57 57 PHE N N 592 117.509 117.509 119.308 -1.799 18115
7513 1 18 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.488 -0.263 18115
7514 1 18 . 1 1 57 57 PHE C C 592 178.436 178.436 178.147 0.289 18115
7515 1 18 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.510 0.101 18115
7516 1 18 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.673 0.161 18115
7517 1 18 . 1 1 57 57 PHE H H 592 7.443 7.443 7.576 -0.133 18115
7518 1 18 . 1 1 58 58 GLU N N 593 118.501 118.501 119.535 -1.034 18115
7519 1 18 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.951 0.183 18115
7520 1 18 . 1 1 58 58 GLU C C 593 178.855 178.855 179.159 -0.304 18115
7521 1 18 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.570 -0.586 18115
7522 1 18 . 1 1 58 58 GLU CB C 593 29.067 29.067 28.897 0.170 18115
7523 1 18 . 1 1 58 58 GLU H H 593 7.952 7.952 8.842 -0.890 18115
7524 1 18 . 1 1 59 59 HIS N N 594 118.563 118.563 118.023 0.540 18115
7525 1 18 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.265 -0.052 18115
7526 1 18 . 1 1 59 59 HIS C C 594 177.856 177.856 177.312 0.544 18115
7527 1 18 . 1 1 59 59 HIS CA C 594 59.268 59.268 58.901 0.367 18115
7528 1 18 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.868 -0.831 18115
7529 1 18 . 1 1 59 59 HIS H H 594 8.126 8.126 8.126 0.000 18115
7530 1 18 . 1 1 60 60 LYS N N 595 119.034 119.034 120.463 -1.429 18115
7531 1 18 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.797 -0.103 18115
7532 1 18 . 1 1 60 60 LYS C C 595 178.057 178.057 178.392 -0.335 18115
7533 1 18 . 1 1 60 60 LYS CA C 595 57.147 57.147 59.208 -2.061 18115
7534 1 18 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.834 -1.058 18115
7535 1 18 . 1 1 60 60 LYS H H 595 7.733 7.733 7.797 -0.064 18115
7536 1 18 . 1 1 61 61 ARG N N 596 120.071 120.071 119.105 0.966 18115
7537 1 18 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.743 -0.095 18115
7538 1 18 . 1 1 61 61 ARG C C 596 177.921 177.921 178.181 -0.260 18115
7539 1 18 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.890 0.288 18115
7540 1 18 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.077 -0.272 18115
7541 1 18 . 1 1 61 61 ARG H H 596 8.167 8.167 8.602 -0.435 18115
7542 1 18 . 1 1 62 62 LYS N N 597 118.731 118.731 118.619 0.112 18115
7543 1 18 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.035 -0.149 18115
7544 1 18 . 1 1 62 62 LYS C C 597 178.963 178.963 179.086 -0.123 18115
7545 1 18 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.415 0.822 18115
7546 1 18 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.459 0.440 18115
7547 1 18 . 1 1 62 62 LYS H H 597 7.948 7.948 7.683 0.265 18115
7548 1 18 . 1 1 63 63 GLU N N 598 118.881 118.881 120.288 -1.407 18115
7549 1 18 . 1 1 63 63 GLU HA H 598 3.876 3.876 4.003 -0.127 18115
7550 1 18 . 1 1 63 63 GLU C C 598 179.408 179.408 178.998 0.410 18115
7551 1 18 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.195 0.190 18115
7552 1 18 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.340 1.063 18115
7553 1 18 . 1 1 63 63 GLU H H 598 7.794 7.794 8.328 -0.534 18115
7554 1 18 . 1 1 64 64 LEU N N 599 119.904 119.904 120.629 -0.725 18115
7555 1 18 . 1 1 64 64 LEU HA H 599 4.070 4.070 4.014 0.056 18115
7556 1 18 . 1 1 64 64 LEU C C 599 178.814 178.814 178.506 0.308 18115
7557 1 18 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.402 0.594 18115
7558 1 18 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.370 0.650 18115
7559 1 18 . 1 1 64 64 LEU H H 599 7.800 7.800 8.419 -0.619 18115
7560 1 18 . 1 1 65 65 GLU N N 600 122.446 122.446 120.409 2.037 18115
7561 1 18 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.074 0.092 18115
7562 1 18 . 1 1 65 65 GLU C C 600 178.550 178.550 179.905 -1.355 18115
7563 1 18 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.607 0.124 18115
7564 1 18 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.550 0.719 18115
7565 1 18 . 1 1 65 65 GLU H H 600 8.948 8.948 8.442 0.506 18115
7566 1 18 . 1 1 66 66 GLN N N 601 116.068 116.068 117.905 -1.837 18115
7567 1 18 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.096 -0.145 18115
7568 1 18 . 1 1 66 66 GLN C C 601 178.277 178.277 177.885 0.392 18115
7569 1 18 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.050 0.476 18115
7570 1 18 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.819 -0.197 18115
7571 1 18 . 1 1 66 66 GLN H H 601 8.109 8.109 8.219 -0.110 18115
7572 1 18 . 1 1 67 67 VAL N N 602 116.121 116.121 118.361 -2.240 18115
7573 1 18 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.988 -0.183 18115
7574 1 18 . 1 1 67 67 VAL C C 602 177.423 177.423 177.364 0.059 18115
7575 1 18 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.725 0.380 18115
7576 1 18 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.309 0.868 18115
7577 1 18 . 1 1 67 67 VAL H H 602 7.171 7.171 7.601 -0.430 18115
7578 1 18 . 1 1 68 68 CYS N N 603 114.504 114.504 115.991 -1.487 18115
7579 1 18 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.388 -0.390 18115
7580 1 18 . 1 1 68 68 CYS C C 603 176.503 176.503 176.434 0.069 18115
7581 1 18 . 1 1 68 68 CYS CA C 603 63.325 63.325 59.171 4.154 18115
7582 1 18 . 1 1 68 68 CYS CB C 603 28.665 28.665 26.675 1.990 18115
7583 1 18 . 1 1 68 68 CYS H H 603 8.138 8.138 8.272 -0.134 18115
7584 1 18 . 1 1 69 69 ASN N N 604 119.915 119.915 121.397 -1.482 18115
7585 1 18 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.516 0.058 18115
7586 1 18 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.758 0.057 18115
7587 1 18 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.584 -0.769 18115
7588 1 18 . 1 1 69 69 ASN H H 604 9.045 9.045 8.821 0.224 18115
7589 1 18 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.256 0.015 18115
7590 1 18 . 1 1 70 70 PRO C C 605 177.471 177.471 177.511 -0.040 18115
7591 1 18 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.414 0.256 18115
7592 1 18 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.248 0.340 18115
7593 1 18 . 1 1 71 71 ILE N N 606 115.752 115.752 114.429 1.323 18115
7594 1 18 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.008 -0.190 18115
7595 1 18 . 1 1 71 71 ILE C C 606 177.032 177.032 178.112 -1.080 18115
7596 1 18 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.877 -0.559 18115
7597 1 18 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.115 1.509 18115
7598 1 18 . 1 1 71 71 ILE H H 606 6.851 6.851 7.354 -0.503 18115
7599 1 18 . 1 1 72 72 ILE N N 607 116.042 116.042 122.372 -6.330 18115
7600 1 18 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.790 0.216 18115
7601 1 18 . 1 1 72 72 ILE C C 607 177.236 177.236 178.582 -1.346 18115
7602 1 18 . 1 1 72 72 ILE CA C 607 61.726 61.726 64.081 -2.355 18115
7603 1 18 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.363 0.939 18115
7604 1 18 . 1 1 72 72 ILE H H 607 8.032 8.032 8.752 -0.720 18115
7605 1 18 . 1 1 73 73 SER N N 608 115.855 115.855 116.126 -0.271 18115
7606 1 18 . 1 1 73 73 SER HA H 608 4.277 4.277 4.310 -0.033 18115
7607 1 18 . 1 1 73 73 SER C C 608 175.111 175.111 175.522 -0.411 18115
7608 1 18 . 1 1 73 73 SER CA C 608 60.134 60.134 60.378 -0.244 18115
7609 1 18 . 1 1 73 73 SER CB C 608 63.480 63.480 63.010 0.470 18115
7610 1 18 . 1 1 73 73 SER H H 608 8.001 8.001 8.667 -0.666 18115
7611 1 18 . 1 1 74 74 GLY N N 609 109.991 109.991 108.174 1.817 18115
7612 1 18 . 1 1 74 74 GLY C C 609 173.508 173.508 173.884 -0.376 18115
7613 1 18 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.767 0.548 18115
7614 1 18 . 1 1 74 74 GLY H H 609 7.924 7.924 7.661 0.263 18115
7615 1 19 . 1 1 3 3 ALA N N 538 127.340 127.340 125.203 2.137 18115
7616 1 19 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.987 0.120 18115
7617 1 19 . 1 1 3 3 ALA C C 538 179.658 179.658 178.361 1.297 18115
7618 1 19 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.058 0.733 18115
7619 1 19 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.488 0.119 18115
7620 1 19 . 1 1 3 3 ALA H H 538 8.781 8.781 8.248 0.533 18115
7621 1 19 . 1 1 4 4 LYS N N 539 120.439 120.439 117.976 2.463 18115
7622 1 19 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.411 -0.146 18115
7623 1 19 . 1 1 4 4 LYS C C 539 177.428 177.428 178.013 -0.585 18115
7624 1 19 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.889 0.852 18115
7625 1 19 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.691 0.551 18115
7626 1 19 . 1 1 4 4 LYS H H 539 8.006 8.006 7.609 0.397 18115
7627 1 19 . 1 1 5 5 ASN N N 540 117.109 117.109 117.750 -0.641 18115
7628 1 19 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.370 0.011 18115
7629 1 19 . 1 1 5 5 ASN C C 540 177.598 177.598 177.450 0.148 18115
7630 1 19 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.128 -0.370 18115
7631 1 19 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.502 0.784 18115
7632 1 19 . 1 1 5 5 ASN H H 540 7.789 7.789 7.391 0.398 18115
7633 1 19 . 1 1 6 6 ALA N N 541 122.489 122.489 123.218 -0.729 18115
7634 1 19 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.158 -0.054 18115
7635 1 19 . 1 1 6 6 ALA C C 541 180.393 180.393 180.014 0.379 18115
7636 1 19 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.020 0.016 18115
7637 1 19 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.439 -0.284 18115
7638 1 19 . 1 1 6 6 ALA H H 541 8.209 8.209 7.525 0.684 18115
7639 1 19 . 1 1 7 7 LEU N N 542 120.603 120.603 119.904 0.699 18115
7640 1 19 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.156 0.037 18115
7641 1 19 . 1 1 7 7 LEU C C 542 177.015 177.015 178.878 -1.863 18115
7642 1 19 . 1 1 7 7 LEU CA C 542 57.955 57.955 57.978 -0.023 18115
7643 1 19 . 1 1 7 7 LEU CB C 542 41.223 41.223 41.106 0.117 18115
7644 1 19 . 1 1 7 7 LEU H H 542 7.775 7.775 8.214 -0.439 18115
7645 1 19 . 1 1 8 8 GLU N N 543 119.550 119.550 119.894 -0.344 18115
7646 1 19 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.146 -0.591 18115
7647 1 19 . 1 1 8 8 GLU C C 543 177.949 177.949 179.140 -1.191 18115
7648 1 19 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.215 0.097 18115
7649 1 19 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.866 0.559 18115
7650 1 19 . 1 1 8 8 GLU H H 543 8.418 8.418 8.995 -0.577 18115
7651 1 19 . 1 1 9 9 SER N N 544 112.181 112.181 116.202 -4.021 18115
7652 1 19 . 1 1 9 9 SER HA H 544 4.192 4.192 4.220 -0.028 18115
7653 1 19 . 1 1 9 9 SER C C 544 176.285 176.285 176.630 -0.345 18115
7654 1 19 . 1 1 9 9 SER CA C 544 61.890 61.890 62.151 -0.261 18115
7655 1 19 . 1 1 9 9 SER CB C 544 63.000 63.000 63.055 -0.055 18115
7656 1 19 . 1 1 9 9 SER H H 544 8.313 8.313 8.008 0.305 18115
7657 1 19 . 1 1 10 10 TYR N N 545 122.309 122.309 123.445 -1.136 18115
7658 1 19 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.158 0.231 18115
7659 1 19 . 1 1 10 10 TYR C C 545 177.193 177.193 177.007 0.186 18115
7660 1 19 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.454 -0.112 18115
7661 1 19 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.331 0.556 18115
7662 1 19 . 1 1 10 10 TYR H H 545 7.811 7.811 8.049 -0.238 18115
7663 1 19 . 1 1 11 11 ALA N N 546 120.404 120.404 122.121 -1.717 18115
7664 1 19 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.173 -0.384 18115
7665 1 19 . 1 1 11 11 ALA C C 546 179.480 179.480 179.661 -0.181 18115
7666 1 19 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.930 0.758 18115
7667 1 19 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.191 -0.565 18115
7668 1 19 . 1 1 11 11 ALA H H 546 8.456 8.456 8.700 -0.244 18115
7669 1 19 . 1 1 12 12 PHE N N 547 116.158 116.158 118.469 -2.311 18115
7670 1 19 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.105 0.040 18115
7671 1 19 . 1 1 12 12 PHE C C 547 179.133 179.133 177.900 1.233 18115
7672 1 19 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.688 -1.275 18115
7673 1 19 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.722 -0.442 18115
7674 1 19 . 1 1 12 12 PHE H H 547 8.430 8.430 8.902 -0.472 18115
7675 1 19 . 1 1 13 13 ASN N N 548 120.231 120.231 118.493 1.738 18115
7676 1 19 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.472 -0.053 18115
7677 1 19 . 1 1 13 13 ASN C C 548 178.326 178.326 177.969 0.357 18115
7678 1 19 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.322 -0.370 18115
7679 1 19 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.142 -0.188 18115
7680 1 19 . 1 1 13 13 ASN H H 548 8.654 8.654 8.501 0.153 18115
7681 1 19 . 1 1 14 14 MET N N 549 121.990 121.990 118.580 3.410 18115
7682 1 19 . 1 1 14 14 MET HA H 549 4.278 4.278 4.217 0.061 18115
7683 1 19 . 1 1 14 14 MET C C 549 176.929 176.929 178.211 -1.282 18115
7684 1 19 . 1 1 14 14 MET CA C 549 57.182 57.182 57.772 -0.590 18115
7685 1 19 . 1 1 14 14 MET CB C 549 32.998 32.998 31.852 1.146 18115
7686 1 19 . 1 1 14 14 MET H H 549 8.331 8.331 8.273 0.058 18115
7687 1 19 . 1 1 15 15 LYS N N 550 119.946 119.946 120.405 -0.459 18115
7688 1 19 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.882 -0.167 18115
7689 1 19 . 1 1 15 15 LYS C C 550 177.879 177.879 178.840 -0.961 18115
7690 1 19 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.042 -0.071 18115
7691 1 19 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.236 0.574 18115
7692 1 19 . 1 1 15 15 LYS H H 550 7.731 7.731 8.371 -0.640 18115
7693 1 19 . 1 1 16 16 SER N N 551 111.477 111.477 114.814 -3.337 18115
7694 1 19 . 1 1 16 16 SER HA H 551 4.093 4.093 4.216 -0.123 18115
7695 1 19 . 1 1 16 16 SER C C 551 177.031 177.031 176.264 0.767 18115
7696 1 19 . 1 1 16 16 SER CA C 551 61.173 61.173 60.852 0.321 18115
7697 1 19 . 1 1 16 16 SER CB C 551 63.007 63.007 62.929 0.078 18115
7698 1 19 . 1 1 16 16 SER H H 551 7.766 7.766 8.329 -0.563 18115
7699 1 19 . 1 1 17 17 ALA N N 552 123.689 123.689 122.807 0.882 18115
7700 1 19 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.148 -0.065 18115
7701 1 19 . 1 1 17 17 ALA C C 552 180.384 180.384 179.753 0.631 18115
7702 1 19 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.709 0.579 18115
7703 1 19 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.622 -0.457 18115
7704 1 19 . 1 1 17 17 ALA H H 552 8.089 8.089 7.765 0.324 18115
7705 1 19 . 1 1 18 18 VAL N N 553 109.294 109.294 113.245 -3.951 18115
7706 1 19 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.853 0.163 18115
7707 1 19 . 1 1 18 18 VAL C C 553 176.352 176.352 177.478 -1.126 18115
7708 1 19 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.080 -1.322 18115
7709 1 19 . 1 1 18 18 VAL CB C 553 31.652 31.652 32.030 -0.378 18115
7710 1 19 . 1 1 18 18 VAL H H 553 7.560 7.560 7.559 0.001 18115
7711 1 19 . 1 1 19 19 GLU N N 554 118.414 118.414 117.966 0.448 18115
7712 1 19 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.203 0.012 18115
7713 1 19 . 1 1 19 19 GLU C C 554 176.794 176.794 176.691 0.103 18115
7714 1 19 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.358 0.386 18115
7715 1 19 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.248 0.911 18115
7716 1 19 . 1 1 19 19 GLU H H 554 7.389 7.389 7.767 -0.378 18115
7717 1 19 . 1 1 20 20 ASP N N 555 120.735 120.735 120.228 0.507 18115
7718 1 19 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.502 -0.135 18115
7719 1 19 . 1 1 20 20 ASP C C 555 178.171 178.171 177.066 1.105 18115
7720 1 19 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.448 1.419 18115
7721 1 19 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.494 0.380 18115
7722 1 19 . 1 1 20 20 ASP H H 555 7.224 7.224 7.235 -0.011 18115
7723 1 19 . 1 1 21 21 GLU N N 556 126.927 126.927 124.353 2.574 18115
7724 1 19 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.062 -0.081 18115
7725 1 19 . 1 1 21 21 GLU C C 556 178.691 178.691 176.827 1.864 18115
7726 1 19 . 1 1 21 21 GLU CA C 556 59.144 59.144 58.213 0.931 18115
7727 1 19 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.373 0.177 18115
7728 1 19 . 1 1 21 21 GLU H H 556 9.007 9.007 8.787 0.220 18115
7729 1 19 . 1 1 22 22 GLY N N 557 108.255 108.255 107.232 1.023 18115
7730 1 19 . 1 1 22 22 GLY C C 557 175.344 175.344 175.147 0.197 18115
7731 1 19 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.721 0.687 18115
7732 1 19 . 1 1 22 22 GLY H H 557 9.031 9.031 8.708 0.323 18115
7733 1 19 . 1 1 23 23 LEU N N 558 119.463 119.463 121.287 -1.824 18115
7734 1 19 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.277 0.069 18115
7735 1 19 . 1 1 23 23 LEU C C 558 177.893 177.893 176.097 1.796 18115
7736 1 19 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.827 0.093 18115
7737 1 19 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.406 -0.020 18115
7738 1 19 . 1 1 23 23 LEU H H 558 7.606 7.606 8.092 -0.486 18115
7739 1 19 . 1 1 24 24 LYS N N 559 120.994 120.994 119.246 1.748 18115
7740 1 19 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.157 -0.085 18115
7741 1 19 . 1 1 24 24 LYS C C 559 177.830 177.830 177.099 0.731 18115
7742 1 19 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.510 0.967 18115
7743 1 19 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.563 0.796 18115
7744 1 19 . 1 1 24 24 LYS H H 559 7.572 7.572 7.710 -0.138 18115
7745 1 19 . 1 1 25 25 GLY N N 560 111.895 111.895 115.322 -3.427 18115
7746 1 19 . 1 1 25 25 GLY C C 560 174.451 174.451 175.270 -0.819 18115
7747 1 19 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.355 0.231 18115
7748 1 19 . 1 1 25 25 GLY H H 560 8.770 8.770 8.371 0.399 18115
7749 1 19 . 1 1 26 26 LYS N N 561 118.925 118.925 120.716 -1.791 18115
7750 1 19 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.283 0.053 18115
7751 1 19 . 1 1 26 26 LYS C C 561 175.860 175.860 177.241 -1.381 18115
7752 1 19 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.498 -0.632 18115
7753 1 19 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.276 0.925 18115
7754 1 19 . 1 1 26 26 LYS H H 561 8.116 8.116 7.861 0.255 18115
7755 1 19 . 1 1 27 27 ILE N N 562 116.463 116.463 119.844 -3.381 18115
7756 1 19 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.350 0.148 18115
7757 1 19 . 1 1 27 27 ILE C C 562 174.838 174.838 174.243 0.595 18115
7758 1 19 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.888 -0.500 18115
7759 1 19 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.335 0.334 18115
7760 1 19 . 1 1 27 27 ILE H H 562 7.430 7.430 7.633 -0.203 18115
7761 1 19 . 1 1 28 28 SER N N 563 124.501 124.501 120.718 3.783 18115
7762 1 19 . 1 1 28 28 SER HA H 563 4.404 4.404 4.582 -0.178 18115
7763 1 19 . 1 1 28 28 SER C C 563 174.870 174.870 175.337 -0.467 18115
7764 1 19 . 1 1 28 28 SER CA C 563 57.432 57.432 57.121 0.311 18115
7765 1 19 . 1 1 28 28 SER CB C 563 64.793 64.793 64.465 0.328 18115
7766 1 19 . 1 1 28 28 SER H H 563 9.375 9.375 8.502 0.873 18115
7767 1 19 . 1 1 29 29 GLU N N 564 122.048 122.048 123.696 -1.648 18115
7768 1 19 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.882 0.018 18115
7769 1 19 . 1 1 29 29 GLU C C 564 179.396 179.396 178.591 0.805 18115
7770 1 19 . 1 1 29 29 GLU CA C 564 59.714 59.714 60.209 -0.495 18115
7771 1 19 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.260 -0.042 18115
7772 1 19 . 1 1 29 29 GLU H H 564 8.970 8.970 9.040 -0.070 18115
7773 1 19 . 1 1 30 30 ALA N N 565 120.829 120.829 121.501 -0.672 18115
7774 1 19 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.056 -0.010 18115
7775 1 19 . 1 1 30 30 ALA C C 565 180.524 180.524 179.666 0.858 18115
7776 1 19 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.310 -0.272 18115
7777 1 19 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.941 0.522 18115
7778 1 19 . 1 1 30 30 ALA H H 565 8.465 8.465 8.416 0.049 18115
7779 1 19 . 1 1 31 31 ASP N N 566 121.111 121.111 119.173 1.938 18115
7780 1 19 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.312 0.127 18115
7781 1 19 . 1 1 31 31 ASP C C 566 177.738 177.738 178.549 -0.811 18115
7782 1 19 . 1 1 31 31 ASP CA C 566 57.306 57.306 58.114 -0.808 18115
7783 1 19 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.305 -0.350 18115
7784 1 19 . 1 1 31 31 ASP H H 566 7.835 7.835 7.708 0.127 18115
7785 1 19 . 1 1 32 32 LYS N N 567 121.278 121.278 121.134 0.144 18115
7786 1 19 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.811 -0.218 18115
7787 1 19 . 1 1 32 32 LYS C C 567 177.700 177.700 178.778 -1.078 18115
7788 1 19 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.718 0.835 18115
7789 1 19 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.461 0.135 18115
7790 1 19 . 1 1 32 32 LYS H H 567 8.379 8.379 8.118 0.261 18115
7791 1 19 . 1 1 33 33 LYS N N 568 117.531 117.531 118.435 -0.904 18115
7792 1 19 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.920 -0.081 18115
7793 1 19 . 1 1 33 33 LYS C C 568 177.391 177.391 178.868 -1.477 18115
7794 1 19 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.868 -0.461 18115
7795 1 19 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.464 0.017 18115
7796 1 19 . 1 1 33 33 LYS H H 568 7.846 7.846 8.567 -0.721 18115
7797 1 19 . 1 1 34 34 LYS N N 569 118.376 118.376 119.031 -0.655 18115
7798 1 19 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.047 -0.048 18115
7799 1 19 . 1 1 34 34 LYS C C 569 180.064 180.064 178.976 1.088 18115
7800 1 19 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.441 0.512 18115
7801 1 19 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.057 0.797 18115
7802 1 19 . 1 1 34 34 LYS H H 569 7.647 7.647 7.992 -0.345 18115
7803 1 19 . 1 1 35 35 VAL N N 570 118.353 118.353 121.048 -2.695 18115
7804 1 19 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.741 -0.267 18115
7805 1 19 . 1 1 35 35 VAL C C 570 178.019 178.019 177.437 0.582 18115
7806 1 19 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.904 1.048 18115
7807 1 19 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.092 0.441 18115
7808 1 19 . 1 1 35 35 VAL H H 570 7.638 7.638 7.927 -0.289 18115
7809 1 19 . 1 1 36 36 LEU N N 571 120.671 120.671 121.389 -0.718 18115
7810 1 19 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.826 -0.036 18115
7811 1 19 . 1 1 36 36 LEU C C 571 180.444 180.444 179.028 1.416 18115
7812 1 19 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.738 0.175 18115
7813 1 19 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.291 -0.083 18115
7814 1 19 . 1 1 36 36 LEU H H 571 8.693 8.693 8.264 0.429 18115
7815 1 19 . 1 1 37 37 ASP N N 572 120.071 120.071 118.994 1.077 18115
7816 1 19 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.293 0.026 18115
7817 1 19 . 1 1 37 37 ASP C C 572 179.345 179.345 178.533 0.812 18115
7818 1 19 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.595 -0.312 18115
7819 1 19 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.761 -1.085 18115
7820 1 19 . 1 1 37 37 ASP H H 572 9.265 9.265 8.477 0.788 18115
7821 1 19 . 1 1 38 38 LYS N N 573 121.858 121.858 120.779 1.079 18115
7822 1 19 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.359 -0.099 18115
7823 1 19 . 1 1 38 38 LYS C C 573 178.856 178.856 178.768 0.088 18115
7824 1 19 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.394 -1.333 18115
7825 1 19 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.820 -0.834 18115
7826 1 19 . 1 1 38 38 LYS H H 573 7.674 7.674 8.038 -0.364 18115
7827 1 19 . 1 1 39 39 CYS N N 574 117.635 117.635 118.850 -1.215 18115
7828 1 19 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.097 -0.234 18115
7829 1 19 . 1 1 39 39 CYS C C 574 176.479 176.479 176.958 -0.479 18115
7830 1 19 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.398 1.172 18115
7831 1 19 . 1 1 39 39 CYS CB C 574 26.680 26.680 26.972 -0.292 18115
7832 1 19 . 1 1 39 39 CYS H H 574 8.818 8.818 8.688 0.130 18115
7833 1 19 . 1 1 40 40 GLN N N 575 118.089 118.089 119.364 -1.275 18115
7834 1 19 . 1 1 40 40 GLN HA H 575 3.959 3.959 3.996 -0.037 18115
7835 1 19 . 1 1 40 40 GLN C C 575 178.023 178.023 178.629 -0.606 18115
7836 1 19 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.825 -0.157 18115
7837 1 19 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.138 -0.048 18115
7838 1 19 . 1 1 40 40 GLN H H 575 8.203 8.203 8.562 -0.359 18115
7839 1 19 . 1 1 41 41 GLU N N 576 121.535 121.535 120.608 0.927 18115
7840 1 19 . 1 1 41 41 GLU HA H 576 3.992 3.992 3.999 -0.007 18115
7841 1 19 . 1 1 41 41 GLU C C 576 179.586 179.586 179.262 0.324 18115
7842 1 19 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.825 0.064 18115
7843 1 19 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.648 0.365 18115
7844 1 19 . 1 1 41 41 GLU H H 576 8.074 8.074 8.017 0.057 18115
7845 1 19 . 1 1 42 42 VAL N N 577 120.038 120.038 120.075 -0.037 18115
7846 1 19 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.867 -0.156 18115
7847 1 19 . 1 1 42 42 VAL C C 577 177.102 177.102 177.587 -0.485 18115
7848 1 19 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.782 1.338 18115
7849 1 19 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.909 -0.377 18115
7850 1 19 . 1 1 42 42 VAL H H 577 8.144 8.144 8.060 0.084 18115
7851 1 19 . 1 1 43 43 ILE N N 578 122.306 122.306 120.684 1.622 18115
7852 1 19 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.767 -0.070 18115
7853 1 19 . 1 1 43 43 ILE C C 578 178.491 178.491 177.978 0.513 18115
7854 1 19 . 1 1 43 43 ILE CA C 578 65.618 65.618 65.969 -0.351 18115
7855 1 19 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.788 -0.101 18115
7856 1 19 . 1 1 43 43 ILE H H 578 8.504 8.504 8.653 -0.149 18115
7857 1 19 . 1 1 44 44 SER N N 579 115.928 115.928 115.741 0.187 18115
7858 1 19 . 1 1 44 44 SER HA H 579 4.265 4.265 4.286 -0.021 18115
7859 1 19 . 1 1 44 44 SER C C 579 177.129 177.129 176.055 1.074 18115
7860 1 19 . 1 1 44 44 SER CA C 579 62.208 62.208 62.000 0.208 18115
7861 1 19 . 1 1 44 44 SER CB C 579 62.906 62.906 62.885 0.021 18115
7862 1 19 . 1 1 44 44 SER H H 579 8.562 8.562 8.345 0.217 18115
7863 1 19 . 1 1 45 45 TRP N N 580 124.917 124.917 124.756 0.161 18115
7864 1 19 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.435 -0.394 18115
7865 1 19 . 1 1 45 45 TRP C C 580 179.278 179.278 177.469 1.809 18115
7866 1 19 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.358 1.147 18115
7867 1 19 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.543 -1.025 18115
7868 1 19 . 1 1 45 45 TRP H H 580 8.406 8.406 7.980 0.426 18115
7869 1 19 . 1 1 46 46 LEU N N 581 122.211 122.211 119.699 2.512 18115
7870 1 19 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.815 -0.159 18115
7871 1 19 . 1 1 46 46 LEU C C 581 179.119 179.119 178.556 0.563 18115
7872 1 19 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.094 0.340 18115
7873 1 19 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.691 0.848 18115
7874 1 19 . 1 1 46 46 LEU H H 581 9.012 9.012 8.752 0.260 18115
7875 1 19 . 1 1 47 47 ASP N N 582 117.724 117.724 116.785 0.939 18115
7876 1 19 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.353 -0.075 18115
7877 1 19 . 1 1 47 47 ASP C C 582 177.154 177.154 177.517 -0.363 18115
7878 1 19 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.827 -0.033 18115
7879 1 19 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.185 0.004 18115
7880 1 19 . 1 1 47 47 ASP H H 582 7.665 7.665 7.888 -0.223 18115
7881 1 19 . 1 1 48 48 ALA N N 583 118.604 118.604 119.954 -1.350 18115
7882 1 19 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.253 0.035 18115
7883 1 19 . 1 1 48 48 ALA C C 583 177.776 177.776 178.002 -0.226 18115
7884 1 19 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.404 -1.051 18115
7885 1 19 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.410 0.483 18115
7886 1 19 . 1 1 48 48 ALA H H 583 7.129 7.129 7.138 -0.009 18115
7887 1 19 . 1 1 49 49 ASN N N 584 118.883 118.883 116.929 1.954 18115
7888 1 19 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.857 -0.186 18115
7889 1 19 . 1 1 49 49 ASN C C 584 174.761 174.761 175.554 -0.793 18115
7890 1 19 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.068 0.780 18115
7891 1 19 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.044 -0.076 18115
7892 1 19 . 1 1 49 49 ASN H H 584 7.284 7.284 8.120 -0.836 18115
7893 1 19 . 1 1 50 50 THR N N 585 112.258 112.258 114.568 -2.310 18115
7894 1 19 . 1 1 50 50 THR HA H 585 3.967 3.967 4.208 -0.241 18115
7895 1 19 . 1 1 50 50 THR C C 585 175.787 175.787 175.104 0.683 18115
7896 1 19 . 1 1 50 50 THR CA C 585 65.175 65.175 64.395 0.780 18115
7897 1 19 . 1 1 50 50 THR CB C 585 69.336 69.336 68.794 0.542 18115
7898 1 19 . 1 1 50 50 THR H H 585 7.615 7.615 8.133 -0.518 18115
7899 1 19 . 1 1 51 51 LEU N N 586 120.550 120.550 119.636 0.914 18115
7900 1 19 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.543 0.000 18115
7901 1 19 . 1 1 51 51 LEU C C 586 176.635 176.635 176.972 -0.337 18115
7902 1 19 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.810 0.151 18115
7903 1 19 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.527 0.545 18115
7904 1 19 . 1 1 51 51 LEU H H 586 8.254 8.254 7.594 0.660 18115
7905 1 19 . 1 1 52 52 ALA N N 587 123.048 123.048 123.207 -0.159 18115
7906 1 19 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.115 -0.039 18115
7907 1 19 . 1 1 52 52 ALA C C 587 176.356 176.356 176.963 -0.607 18115
7908 1 19 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.182 0.414 18115
7909 1 19 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.364 0.067 18115
7910 1 19 . 1 1 52 52 ALA H H 587 7.124 7.124 7.567 -0.443 18115
7911 1 19 . 1 1 53 53 GLU N N 588 118.471 118.471 119.777 -1.306 18115
7912 1 19 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.744 -0.384 18115
7913 1 19 . 1 1 53 53 GLU C C 588 177.945 177.945 178.354 -0.409 18115
7914 1 19 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.187 0.550 18115
7915 1 19 . 1 1 53 53 GLU CB C 588 31.199 31.199 32.120 -0.921 18115
7916 1 19 . 1 1 53 53 GLU H H 588 8.429 8.429 8.439 -0.010 18115
7917 1 19 . 1 1 54 54 LYS N N 589 121.635 121.635 120.242 1.393 18115
7918 1 19 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.194 -0.044 18115
7919 1 19 . 1 1 54 54 LYS C C 589 178.445 178.445 177.811 0.634 18115
7920 1 19 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.295 0.412 18115
7921 1 19 . 1 1 54 54 LYS CB C 589 32.790 32.790 31.972 0.818 18115
7922 1 19 . 1 1 54 54 LYS H H 589 8.763 8.763 8.831 -0.068 18115
7923 1 19 . 1 1 55 55 ASP N N 590 116.537 116.537 116.829 -0.292 18115
7924 1 19 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.661 -0.341 18115
7925 1 19 . 1 1 55 55 ASP C C 590 178.649 178.649 178.737 -0.088 18115
7926 1 19 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.039 -0.028 18115
7927 1 19 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.562 0.527 18115
7928 1 19 . 1 1 55 55 ASP H H 590 8.814 8.814 8.875 -0.061 18115
7929 1 19 . 1 1 56 56 GLU N N 591 119.611 119.611 121.321 -1.710 18115
7930 1 19 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.133 -0.068 18115
7931 1 19 . 1 1 56 56 GLU C C 591 179.582 179.582 178.943 0.639 18115
7932 1 19 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.528 -0.014 18115
7933 1 19 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.252 0.561 18115
7934 1 19 . 1 1 56 56 GLU H H 591 7.785 7.785 7.785 -0.000 18115
7935 1 19 . 1 1 57 57 PHE N N 592 117.509 117.509 118.757 -1.248 18115
7936 1 19 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.491 -0.266 18115
7937 1 19 . 1 1 57 57 PHE C C 592 178.436 178.436 178.068 0.368 18115
7938 1 19 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.992 -0.381 18115
7939 1 19 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.910 -0.076 18115
7940 1 19 . 1 1 57 57 PHE H H 592 7.443 7.443 7.759 -0.316 18115
7941 1 19 . 1 1 58 58 GLU N N 593 118.501 118.501 119.368 -0.867 18115
7942 1 19 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.888 0.246 18115
7943 1 19 . 1 1 58 58 GLU C C 593 178.855 178.855 178.551 0.304 18115
7944 1 19 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.910 -0.925 18115
7945 1 19 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.463 -0.396 18115
7946 1 19 . 1 1 58 58 GLU H H 593 7.952 7.952 8.881 -0.929 18115
7947 1 19 . 1 1 59 59 HIS N N 594 118.563 118.563 118.795 -0.232 18115
7948 1 19 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.332 -0.119 18115
7949 1 19 . 1 1 59 59 HIS C C 594 177.856 177.856 177.232 0.624 18115
7950 1 19 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.431 -0.163 18115
7951 1 19 . 1 1 59 59 HIS CB C 594 29.037 29.037 30.263 -1.226 18115
7952 1 19 . 1 1 59 59 HIS H H 594 8.126 8.126 8.270 -0.144 18115
7953 1 19 . 1 1 60 60 LYS N N 595 119.034 119.034 119.822 -0.788 18115
7954 1 19 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.694 -0.000 18115
7955 1 19 . 1 1 60 60 LYS C C 595 178.057 178.057 178.642 -0.585 18115
7956 1 19 . 1 1 60 60 LYS CA C 595 57.147 57.147 57.986 -0.839 18115
7957 1 19 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.759 -0.981 18115
7958 1 19 . 1 1 60 60 LYS H H 595 7.733 7.733 7.649 0.084 18115
7959 1 19 . 1 1 61 61 ARG N N 596 120.071 120.071 119.587 0.484 18115
7960 1 19 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.695 -0.047 18115
7961 1 19 . 1 1 61 61 ARG C C 596 177.921 177.921 178.048 -0.127 18115
7962 1 19 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.956 0.222 18115
7963 1 19 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.032 -0.227 18115
7964 1 19 . 1 1 61 61 ARG H H 596 8.167 8.167 8.462 -0.295 18115
7965 1 19 . 1 1 62 62 LYS N N 597 118.731 118.731 118.207 0.524 18115
7966 1 19 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.101 -0.215 18115
7967 1 19 . 1 1 62 62 LYS C C 597 178.963 178.963 179.370 -0.407 18115
7968 1 19 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.287 0.950 18115
7969 1 19 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.417 0.482 18115
7970 1 19 . 1 1 62 62 LYS H H 597 7.948 7.948 7.588 0.360 18115
7971 1 19 . 1 1 63 63 GLU N N 598 118.881 118.881 119.419 -0.538 18115
7972 1 19 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.867 0.009 18115
7973 1 19 . 1 1 63 63 GLU C C 598 179.408 179.408 178.918 0.490 18115
7974 1 19 . 1 1 63 63 GLU CA C 598 59.385 59.385 58.958 0.427 18115
7975 1 19 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.219 1.184 18115
7976 1 19 . 1 1 63 63 GLU H H 598 7.794 7.794 7.426 0.368 18115
7977 1 19 . 1 1 64 64 LEU N N 599 119.904 119.904 120.957 -1.053 18115
7978 1 19 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.898 0.172 18115
7979 1 19 . 1 1 64 64 LEU C C 599 178.814 178.814 178.655 0.159 18115
7980 1 19 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.718 0.278 18115
7981 1 19 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.331 0.689 18115
7982 1 19 . 1 1 64 64 LEU H H 599 7.800 7.800 8.316 -0.516 18115
7983 1 19 . 1 1 65 65 GLU N N 600 122.446 122.446 118.935 3.511 18115
7984 1 19 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.035 0.131 18115
7985 1 19 . 1 1 65 65 GLU C C 600 178.550 178.550 179.597 -1.047 18115
7986 1 19 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.401 0.330 18115
7987 1 19 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.348 0.921 18115
7988 1 19 . 1 1 65 65 GLU H H 600 8.948 8.948 8.395 0.553 18115
7989 1 19 . 1 1 66 66 GLN N N 601 116.068 116.068 117.910 -1.842 18115
7990 1 19 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.067 -0.116 18115
7991 1 19 . 1 1 66 66 GLN C C 601 178.277 178.277 177.953 0.324 18115
7992 1 19 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.319 0.207 18115
7993 1 19 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.557 0.065 18115
7994 1 19 . 1 1 66 66 GLN H H 601 8.109 8.109 7.672 0.437 18115
7995 1 19 . 1 1 67 67 VAL N N 602 116.121 116.121 119.908 -3.787 18115
7996 1 19 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.901 -0.096 18115
7997 1 19 . 1 1 67 67 VAL C C 602 177.423 177.423 176.901 0.522 18115
7998 1 19 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.413 0.692 18115
7999 1 19 . 1 1 67 67 VAL CB C 602 33.177 33.177 31.936 1.241 18115
8000 1 19 . 1 1 67 67 VAL H H 602 7.171 7.171 7.493 -0.322 18115
8001 1 19 . 1 1 68 68 CYS N N 603 114.504 114.504 114.358 0.146 18115
8002 1 19 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.321 -0.323 18115
8003 1 19 . 1 1 68 68 CYS C C 603 176.503 176.503 176.449 0.054 18115
8004 1 19 . 1 1 68 68 CYS CA C 603 63.325 63.325 59.897 3.428 18115
8005 1 19 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.377 0.288 18115
8006 1 19 . 1 1 68 68 CYS H H 603 8.138 8.138 8.048 0.090 18115
8007 1 19 . 1 1 69 69 ASN N N 604 119.915 119.915 121.599 -1.684 18115
8008 1 19 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.501 0.073 18115
8009 1 19 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.512 0.303 18115
8010 1 19 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.413 -0.598 18115
8011 1 19 . 1 1 69 69 ASN H H 604 9.045 9.045 8.605 0.440 18115
8012 1 19 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.253 0.018 18115
8013 1 19 . 1 1 70 70 PRO C C 605 177.471 177.471 177.241 0.230 18115
8014 1 19 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.190 0.480 18115
8015 1 19 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.312 0.276 18115
8016 1 19 . 1 1 71 71 ILE N N 606 115.752 115.752 113.554 2.198 18115
8017 1 19 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.111 -0.293 18115
8018 1 19 . 1 1 71 71 ILE C C 606 177.032 177.032 177.781 -0.749 18115
8019 1 19 . 1 1 71 71 ILE CA C 606 63.318 63.318 62.977 0.341 18115
8020 1 19 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.688 0.937 18115
8021 1 19 . 1 1 71 71 ILE H H 606 6.851 6.851 7.415 -0.564 18115
8022 1 19 . 1 1 72 72 ILE N N 607 116.042 116.042 122.578 -6.536 18115
8023 1 19 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.789 0.217 18115
8024 1 19 . 1 1 72 72 ILE C C 607 177.236 177.236 178.270 -1.034 18115
8025 1 19 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.703 -1.977 18115
8026 1 19 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.235 1.067 18115
8027 1 19 . 1 1 72 72 ILE H H 607 8.032 8.032 8.911 -0.879 18115
8028 1 19 . 1 1 73 73 SER N N 608 115.855 115.855 115.754 0.101 18115
8029 1 19 . 1 1 73 73 SER HA H 608 4.277 4.277 4.252 0.025 18115
8030 1 19 . 1 1 73 73 SER C C 608 175.111 175.111 175.478 -0.367 18115
8031 1 19 . 1 1 73 73 SER CA C 608 60.134 60.134 60.414 -0.280 18115
8032 1 19 . 1 1 73 73 SER CB C 608 63.480 63.480 63.123 0.357 18115
8033 1 19 . 1 1 73 73 SER H H 608 8.001 8.001 8.242 -0.241 18115
8034 1 19 . 1 1 74 74 GLY N N 609 109.991 109.991 107.017 2.974 18115
8035 1 19 . 1 1 74 74 GLY C C 609 173.508 173.508 173.568 -0.060 18115
8036 1 19 . 1 1 74 74 GLY CA C 609 45.315 45.315 45.060 0.255 18115
8037 1 19 . 1 1 74 74 GLY H H 609 7.924 7.924 7.749 0.175 18115
8038 1 20 . 1 1 3 3 ALA N N 538 127.340 127.340 124.608 2.732 18115
8039 1 20 . 1 1 3 3 ALA HA H 538 4.107 4.107 4.035 0.072 18115
8040 1 20 . 1 1 3 3 ALA C C 538 179.658 179.658 179.014 0.644 18115
8041 1 20 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.572 0.219 18115
8042 1 20 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.168 0.439 18115
8043 1 20 . 1 1 3 3 ALA H H 538 8.781 8.781 8.359 0.422 18115
8044 1 20 . 1 1 4 4 LYS N N 539 120.439 120.439 118.154 2.285 18115
8045 1 20 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.342 -0.077 18115
8046 1 20 . 1 1 4 4 LYS C C 539 177.428 177.428 177.764 -0.336 18115
8047 1 20 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.617 1.124 18115
8048 1 20 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.451 0.791 18115
8049 1 20 . 1 1 4 4 LYS H H 539 8.006 8.006 7.713 0.293 18115
8050 1 20 . 1 1 5 5 ASN N N 540 117.109 117.109 116.691 0.418 18115
8051 1 20 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.424 -0.043 18115
8052 1 20 . 1 1 5 5 ASN C C 540 177.598 177.598 177.324 0.274 18115
8053 1 20 . 1 1 5 5 ASN CA C 540 55.758 55.758 55.952 -0.194 18115
8054 1 20 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.819 0.467 18115
8055 1 20 . 1 1 5 5 ASN H H 540 7.789 7.789 8.096 -0.307 18115
8056 1 20 . 1 1 6 6 ALA N N 541 122.489 122.489 122.805 -0.316 18115
8057 1 20 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.116 -0.012 18115
8058 1 20 . 1 1 6 6 ALA C C 541 180.393 180.393 180.144 0.249 18115
8059 1 20 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.056 -0.020 18115
8060 1 20 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.377 -0.222 18115
8061 1 20 . 1 1 6 6 ALA H H 541 8.209 8.209 7.957 0.252 18115
8062 1 20 . 1 1 7 7 LEU N N 542 120.603 120.603 119.618 0.985 18115
8063 1 20 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.097 0.096 18115
8064 1 20 . 1 1 7 7 LEU C C 542 177.015 177.015 179.155 -2.140 18115
8065 1 20 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.021 -0.066 18115
8066 1 20 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.939 0.284 18115
8067 1 20 . 1 1 7 7 LEU H H 542 7.775 7.775 8.235 -0.460 18115
8068 1 20 . 1 1 8 8 GLU N N 543 119.550 119.550 120.343 -0.793 18115
8069 1 20 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.111 -0.556 18115
8070 1 20 . 1 1 8 8 GLU C C 543 177.949 177.949 179.158 -1.209 18115
8071 1 20 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.214 0.098 18115
8072 1 20 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.675 0.750 18115
8073 1 20 . 1 1 8 8 GLU H H 543 8.418 8.418 8.677 -0.259 18115
8074 1 20 . 1 1 9 9 SER N N 544 112.181 112.181 115.193 -3.012 18115
8075 1 20 . 1 1 9 9 SER HA H 544 4.192 4.192 4.152 0.040 18115
8076 1 20 . 1 1 9 9 SER C C 544 176.285 176.285 176.445 -0.160 18115
8077 1 20 . 1 1 9 9 SER CA C 544 61.890 61.890 61.519 0.371 18115
8078 1 20 . 1 1 9 9 SER CB C 544 63.000 63.000 63.095 -0.095 18115
8079 1 20 . 1 1 9 9 SER H H 544 8.313 8.313 8.316 -0.003 18115
8080 1 20 . 1 1 10 10 TYR N N 545 122.309 122.309 122.977 -0.668 18115
8081 1 20 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.198 0.191 18115
8082 1 20 . 1 1 10 10 TYR C C 545 177.193 177.193 177.077 0.116 18115
8083 1 20 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.331 0.011 18115
8084 1 20 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.428 0.459 18115
8085 1 20 . 1 1 10 10 TYR H H 545 7.811 7.811 8.149 -0.338 18115
8086 1 20 . 1 1 11 11 ALA N N 546 120.404 120.404 122.414 -2.010 18115
8087 1 20 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.187 -0.398 18115
8088 1 20 . 1 1 11 11 ALA C C 546 179.480 179.480 179.710 -0.230 18115
8089 1 20 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.921 0.767 18115
8090 1 20 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.253 -0.627 18115
8091 1 20 . 1 1 11 11 ALA H H 546 8.456 8.456 8.718 -0.262 18115
8092 1 20 . 1 1 12 12 PHE N N 547 116.158 116.158 118.020 -1.862 18115
8093 1 20 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.116 0.029 18115
8094 1 20 . 1 1 12 12 PHE C C 547 179.133 179.133 178.102 1.031 18115
8095 1 20 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.948 -1.535 18115
8096 1 20 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.792 -0.512 18115
8097 1 20 . 1 1 12 12 PHE H H 547 8.430 8.430 9.132 -0.702 18115
8098 1 20 . 1 1 13 13 ASN N N 548 120.231 120.231 118.163 2.068 18115
8099 1 20 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.446 -0.027 18115
8100 1 20 . 1 1 13 13 ASN C C 548 178.326 178.326 177.462 0.864 18115
8101 1 20 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.214 -0.262 18115
8102 1 20 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.385 -0.431 18115
8103 1 20 . 1 1 13 13 ASN H H 548 8.654 8.654 8.337 0.317 18115
8104 1 20 . 1 1 14 14 MET N N 549 121.990 121.990 118.565 3.425 18115
8105 1 20 . 1 1 14 14 MET HA H 549 4.278 4.278 4.168 0.110 18115
8106 1 20 . 1 1 14 14 MET C C 549 176.929 176.929 178.298 -1.369 18115
8107 1 20 . 1 1 14 14 MET CA C 549 57.182 57.182 57.943 -0.761 18115
8108 1 20 . 1 1 14 14 MET CB C 549 32.998 32.998 31.761 1.237 18115
8109 1 20 . 1 1 14 14 MET H H 549 8.331 8.331 8.185 0.146 18115
8110 1 20 . 1 1 15 15 LYS N N 550 119.946 119.946 121.045 -1.099 18115
8111 1 20 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.900 -0.185 18115
8112 1 20 . 1 1 15 15 LYS C C 550 177.879 177.879 178.969 -1.090 18115
8113 1 20 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.116 -0.145 18115
8114 1 20 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.235 0.575 18115
8115 1 20 . 1 1 15 15 LYS H H 550 7.731 7.731 8.385 -0.654 18115
8116 1 20 . 1 1 16 16 SER N N 551 111.477 111.477 115.524 -4.047 18115
8117 1 20 . 1 1 16 16 SER HA H 551 4.093 4.093 4.159 -0.066 18115
8118 1 20 . 1 1 16 16 SER C C 551 177.031 177.031 176.025 1.006 18115
8119 1 20 . 1 1 16 16 SER CA C 551 61.173 61.173 61.479 -0.306 18115
8120 1 20 . 1 1 16 16 SER CB C 551 63.007 63.007 62.971 0.036 18115
8121 1 20 . 1 1 16 16 SER H H 551 7.766 7.766 8.265 -0.499 18115
8122 1 20 . 1 1 17 17 ALA N N 552 123.689 123.689 122.266 1.423 18115
8123 1 20 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.166 -0.083 18115
8124 1 20 . 1 1 17 17 ALA C C 552 180.384 180.384 180.073 0.311 18115
8125 1 20 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.703 0.585 18115
8126 1 20 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.774 -0.609 18115
8127 1 20 . 1 1 17 17 ALA H H 552 8.089 8.089 7.812 0.277 18115
8128 1 20 . 1 1 18 18 VAL N N 553 109.294 109.294 114.747 -5.453 18115
8129 1 20 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.833 0.183 18115
8130 1 20 . 1 1 18 18 VAL C C 553 176.352 176.352 177.699 -1.347 18115
8131 1 20 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.347 -1.589 18115
8132 1 20 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.652 -0.000 18115
8133 1 20 . 1 1 18 18 VAL H H 553 7.560 7.560 7.779 -0.219 18115
8134 1 20 . 1 1 19 19 GLU N N 554 118.414 118.414 118.139 0.275 18115
8135 1 20 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.337 -0.122 18115
8136 1 20 . 1 1 19 19 GLU C C 554 176.794 176.794 175.487 1.307 18115
8137 1 20 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.338 0.406 18115
8138 1 20 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.542 0.617 18115
8139 1 20 . 1 1 19 19 GLU H H 554 7.389 7.389 7.818 -0.429 18115
8140 1 20 . 1 1 20 20 ASP N N 555 120.735 120.735 120.759 -0.024 18115
8141 1 20 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.558 -0.191 18115
8142 1 20 . 1 1 20 20 ASP C C 555 178.171 178.171 176.706 1.465 18115
8143 1 20 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.502 1.365 18115
8144 1 20 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.060 0.814 18115
8145 1 20 . 1 1 20 20 ASP H H 555 7.224 7.224 7.355 -0.131 18115
8146 1 20 . 1 1 21 21 GLU N N 556 126.927 126.927 124.278 2.649 18115
8147 1 20 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.210 -0.229 18115
8148 1 20 . 1 1 21 21 GLU C C 556 178.691 178.691 176.914 1.777 18115
8149 1 20 . 1 1 21 21 GLU CA C 556 59.144 59.144 56.928 2.216 18115
8150 1 20 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.138 0.412 18115
8151 1 20 . 1 1 21 21 GLU H H 556 9.007 9.007 8.789 0.218 18115
8152 1 20 . 1 1 22 22 GLY N N 557 108.255 108.255 105.895 2.360 18115
8153 1 20 . 1 1 22 22 GLY C C 557 175.344 175.344 175.266 0.078 18115
8154 1 20 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.297 1.111 18115
8155 1 20 . 1 1 22 22 GLY H H 557 9.031 9.031 8.131 0.900 18115
8156 1 20 . 1 1 23 23 LEU N N 558 119.463 119.463 121.283 -1.820 18115
8157 1 20 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.385 -0.039 18115
8158 1 20 . 1 1 23 23 LEU C C 558 177.893 177.893 175.787 2.106 18115
8159 1 20 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.403 0.517 18115
8160 1 20 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.173 0.213 18115
8161 1 20 . 1 1 23 23 LEU H H 558 7.606 7.606 7.697 -0.091 18115
8162 1 20 . 1 1 24 24 LYS N N 559 120.994 120.994 118.834 2.160 18115
8163 1 20 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.069 0.003 18115
8164 1 20 . 1 1 24 24 LYS C C 559 177.830 177.830 177.298 0.532 18115
8165 1 20 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.824 0.653 18115
8166 1 20 . 1 1 24 24 LYS CB C 559 32.359 32.359 32.180 0.179 18115
8167 1 20 . 1 1 24 24 LYS H H 559 7.572 7.572 7.275 0.297 18115
8168 1 20 . 1 1 25 25 GLY N N 560 111.895 111.895 115.481 -3.586 18115
8169 1 20 . 1 1 25 25 GLY C C 560 174.451 174.451 175.528 -1.077 18115
8170 1 20 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.558 0.028 18115
8171 1 20 . 1 1 25 25 GLY H H 560 8.770 8.770 8.524 0.246 18115
8172 1 20 . 1 1 26 26 LYS N N 561 118.925 118.925 120.999 -2.074 18115
8173 1 20 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.169 0.167 18115
8174 1 20 . 1 1 26 26 LYS C C 561 175.860 175.860 176.546 -0.686 18115
8175 1 20 . 1 1 26 26 LYS CA C 561 56.866 56.866 58.203 -1.337 18115
8176 1 20 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.196 1.005 18115
8177 1 20 . 1 1 26 26 LYS H H 561 8.116 8.116 7.566 0.550 18115
8178 1 20 . 1 1 27 27 ILE N N 562 116.463 116.463 118.421 -1.958 18115
8179 1 20 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.420 0.078 18115
8180 1 20 . 1 1 27 27 ILE C C 562 174.838 174.838 173.865 0.973 18115
8181 1 20 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.434 -0.046 18115
8182 1 20 . 1 1 27 27 ILE CB C 562 40.669 40.669 41.003 -0.334 18115
8183 1 20 . 1 1 27 27 ILE H H 562 7.430 7.430 7.319 0.111 18115
8184 1 20 . 1 1 28 28 SER N N 563 124.501 124.501 121.115 3.386 18115
8185 1 20 . 1 1 28 28 SER HA H 563 4.404 4.404 4.551 -0.147 18115
8186 1 20 . 1 1 28 28 SER C C 563 174.870 174.870 175.385 -0.515 18115
8187 1 20 . 1 1 28 28 SER CA C 563 57.432 57.432 57.527 -0.095 18115
8188 1 20 . 1 1 28 28 SER CB C 563 64.793 64.793 64.112 0.681 18115
8189 1 20 . 1 1 28 28 SER H H 563 9.375 9.375 8.595 0.780 18115
8190 1 20 . 1 1 29 29 GLU N N 564 122.048 122.048 125.092 -3.044 18115
8191 1 20 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.942 -0.042 18115
8192 1 20 . 1 1 29 29 GLU C C 564 179.396 179.396 178.246 1.150 18115
8193 1 20 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.294 0.420 18115
8194 1 20 . 1 1 29 29 GLU CB C 564 29.218 29.218 28.910 0.308 18115
8195 1 20 . 1 1 29 29 GLU H H 564 8.970 8.970 9.068 -0.098 18115
8196 1 20 . 1 1 30 30 ALA N N 565 120.829 120.829 122.281 -1.452 18115
8197 1 20 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.077 -0.031 18115
8198 1 20 . 1 1 30 30 ALA C C 565 180.524 180.524 179.582 0.942 18115
8199 1 20 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.183 -0.145 18115
8200 1 20 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.977 0.486 18115
8201 1 20 . 1 1 30 30 ALA H H 565 8.465 8.465 8.448 0.017 18115
8202 1 20 . 1 1 31 31 ASP N N 566 121.111 121.111 119.171 1.940 18115
8203 1 20 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.318 0.121 18115
8204 1 20 . 1 1 31 31 ASP C C 566 177.738 177.738 178.521 -0.783 18115
8205 1 20 . 1 1 31 31 ASP CA C 566 57.306 57.306 58.293 -0.987 18115
8206 1 20 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.423 -0.468 18115
8207 1 20 . 1 1 31 31 ASP H H 566 7.835 7.835 7.661 0.174 18115
8208 1 20 . 1 1 32 32 LYS N N 567 121.278 121.278 120.955 0.323 18115
8209 1 20 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.828 -0.235 18115
8210 1 20 . 1 1 32 32 LYS C C 567 177.700 177.700 178.683 -0.983 18115
8211 1 20 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.786 0.767 18115
8212 1 20 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.453 0.143 18115
8213 1 20 . 1 1 32 32 LYS H H 567 8.379 8.379 8.358 0.021 18115
8214 1 20 . 1 1 33 33 LYS N N 568 117.531 117.531 118.404 -0.873 18115
8215 1 20 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.979 -0.140 18115
8216 1 20 . 1 1 33 33 LYS C C 568 177.391 177.391 178.951 -1.560 18115
8217 1 20 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.762 -0.355 18115
8218 1 20 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.539 -0.058 18115
8219 1 20 . 1 1 33 33 LYS H H 568 7.846 7.846 8.387 -0.541 18115
8220 1 20 . 1 1 34 34 LYS N N 569 118.376 118.376 119.397 -1.021 18115
8221 1 20 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.020 -0.021 18115
8222 1 20 . 1 1 34 34 LYS C C 569 180.064 180.064 178.820 1.244 18115
8223 1 20 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.718 0.235 18115
8224 1 20 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.053 0.801 18115
8225 1 20 . 1 1 34 34 LYS H H 569 7.647 7.647 8.226 -0.579 18115
8226 1 20 . 1 1 35 35 VAL N N 570 118.353 118.353 121.098 -2.745 18115
8227 1 20 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.754 -0.280 18115
8228 1 20 . 1 1 35 35 VAL C C 570 178.019 178.019 177.450 0.569 18115
8229 1 20 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.874 1.078 18115
8230 1 20 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.076 0.457 18115
8231 1 20 . 1 1 35 35 VAL H H 570 7.638 7.638 8.095 -0.457 18115
8232 1 20 . 1 1 36 36 LEU N N 571 120.671 120.671 121.359 -0.688 18115
8233 1 20 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.843 -0.053 18115
8234 1 20 . 1 1 36 36 LEU C C 571 180.444 180.444 179.028 1.416 18115
8235 1 20 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.718 0.195 18115
8236 1 20 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.356 -0.148 18115
8237 1 20 . 1 1 36 36 LEU H H 571 8.693 8.693 8.207 0.486 18115
8238 1 20 . 1 1 37 37 ASP N N 572 120.071 120.071 118.994 1.077 18115
8239 1 20 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.299 0.020 18115
8240 1 20 . 1 1 37 37 ASP C C 572 179.345 179.345 178.508 0.837 18115
8241 1 20 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.657 -0.374 18115
8242 1 20 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.843 -1.167 18115
8243 1 20 . 1 1 37 37 ASP H H 572 9.265 9.265 8.390 0.875 18115
8244 1 20 . 1 1 38 38 LYS N N 573 121.858 121.858 120.383 1.475 18115
8245 1 20 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.102 0.158 18115
8246 1 20 . 1 1 38 38 LYS C C 573 178.856 178.856 178.841 0.015 18115
8247 1 20 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.773 -1.712 18115
8248 1 20 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.903 -0.917 18115
8249 1 20 . 1 1 38 38 LYS H H 573 7.674 7.674 8.093 -0.419 18115
8250 1 20 . 1 1 39 39 CYS N N 574 117.635 117.635 118.571 -0.936 18115
8251 1 20 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.103 -0.240 18115
8252 1 20 . 1 1 39 39 CYS C C 574 176.479 176.479 176.952 -0.473 18115
8253 1 20 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.367 1.203 18115
8254 1 20 . 1 1 39 39 CYS CB C 574 26.680 26.680 27.020 -0.340 18115
8255 1 20 . 1 1 39 39 CYS H H 574 8.818 8.818 8.712 0.106 18115
8256 1 20 . 1 1 40 40 GLN N N 575 118.089 118.089 119.304 -1.215 18115
8257 1 20 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.032 -0.073 18115
8258 1 20 . 1 1 40 40 GLN C C 575 178.023 178.023 178.791 -0.768 18115
8259 1 20 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.858 -0.189 18115
8260 1 20 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.234 -0.144 18115
8261 1 20 . 1 1 40 40 GLN H H 575 8.203 8.203 8.336 -0.133 18115
8262 1 20 . 1 1 41 41 GLU N N 576 121.535 121.535 120.965 0.570 18115
8263 1 20 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.054 -0.062 18115
8264 1 20 . 1 1 41 41 GLU C C 576 179.586 179.586 179.276 0.310 18115
8265 1 20 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.578 0.311 18115
8266 1 20 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.638 0.375 18115
8267 1 20 . 1 1 41 41 GLU H H 576 8.074 8.074 8.078 -0.004 18115
8268 1 20 . 1 1 42 42 VAL N N 577 120.038 120.038 120.049 -0.011 18115
8269 1 20 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.830 -0.119 18115
8270 1 20 . 1 1 42 42 VAL C C 577 177.102 177.102 177.696 -0.594 18115
8271 1 20 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.790 1.331 18115
8272 1 20 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.869 -0.337 18115
8273 1 20 . 1 1 42 42 VAL H H 577 8.144 8.144 7.937 0.207 18115
8274 1 20 . 1 1 43 43 ILE N N 578 122.306 122.306 120.268 2.038 18115
8275 1 20 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.739 -0.042 18115
8276 1 20 . 1 1 43 43 ILE C C 578 178.491 178.491 177.889 0.602 18115
8277 1 20 . 1 1 43 43 ILE CA C 578 65.618 65.618 65.875 -0.257 18115
8278 1 20 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.680 0.007 18115
8279 1 20 . 1 1 43 43 ILE H H 578 8.504 8.504 8.529 -0.025 18115
8280 1 20 . 1 1 44 44 SER N N 579 115.928 115.928 115.987 -0.059 18115
8281 1 20 . 1 1 44 44 SER HA H 579 4.265 4.265 4.258 0.007 18115
8282 1 20 . 1 1 44 44 SER C C 579 177.129 177.129 176.755 0.374 18115
8283 1 20 . 1 1 44 44 SER CA C 579 62.208 62.208 61.481 0.727 18115
8284 1 20 . 1 1 44 44 SER CB C 579 62.906 62.906 63.039 -0.133 18115
8285 1 20 . 1 1 44 44 SER H H 579 8.562 8.562 8.408 0.154 18115
8286 1 20 . 1 1 45 45 TRP N N 580 124.917 124.917 125.971 -1.054 18115
8287 1 20 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.427 -0.386 18115
8288 1 20 . 1 1 45 45 TRP C C 580 179.278 179.278 177.835 1.443 18115
8289 1 20 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.694 0.811 18115
8290 1 20 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.522 -1.004 18115
8291 1 20 . 1 1 45 45 TRP H H 580 8.406 8.406 8.205 0.201 18115
8292 1 20 . 1 1 46 46 LEU N N 581 122.211 122.211 119.626 2.585 18115
8293 1 20 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.890 -0.234 18115
8294 1 20 . 1 1 46 46 LEU C C 581 179.119 179.119 179.422 -0.303 18115
8295 1 20 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.080 0.354 18115
8296 1 20 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.840 0.699 18115
8297 1 20 . 1 1 46 46 LEU H H 581 9.012 9.012 8.764 0.248 18115
8298 1 20 . 1 1 47 47 ASP N N 582 117.724 117.724 117.701 0.023 18115
8299 1 20 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.357 -0.079 18115
8300 1 20 . 1 1 47 47 ASP C C 582 177.154 177.154 177.232 -0.078 18115
8301 1 20 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.894 -0.100 18115
8302 1 20 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.116 0.073 18115
8303 1 20 . 1 1 47 47 ASP H H 582 7.665 7.665 7.923 -0.258 18115
8304 1 20 . 1 1 48 48 ALA N N 583 118.604 118.604 119.761 -1.157 18115
8305 1 20 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.205 0.083 18115
8306 1 20 . 1 1 48 48 ALA C C 583 177.776 177.776 178.008 -0.232 18115
8307 1 20 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.684 -1.331 18115
8308 1 20 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.201 0.692 18115
8309 1 20 . 1 1 48 48 ALA H H 583 7.129 7.129 7.206 -0.077 18115
8310 1 20 . 1 1 49 49 ASN N N 584 118.883 118.883 117.642 1.241 18115
8311 1 20 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.807 -0.136 18115
8312 1 20 . 1 1 49 49 ASN C C 584 174.761 174.761 175.413 -0.652 18115
8313 1 20 . 1 1 49 49 ASN CA C 584 52.848 52.848 51.158 1.690 18115
8314 1 20 . 1 1 49 49 ASN CB C 584 37.968 37.968 36.982 0.986 18115
8315 1 20 . 1 1 49 49 ASN H H 584 7.284 7.284 8.053 -0.769 18115
8316 1 20 . 1 1 50 50 THR N N 585 112.258 112.258 113.082 -0.824 18115
8317 1 20 . 1 1 50 50 THR HA H 585 3.967 3.967 4.182 -0.215 18115
8318 1 20 . 1 1 50 50 THR C C 585 175.787 175.787 174.969 0.818 18115
8319 1 20 . 1 1 50 50 THR CA C 585 65.175 65.175 64.318 0.857 18115
8320 1 20 . 1 1 50 50 THR CB C 585 69.336 69.336 68.889 0.447 18115
8321 1 20 . 1 1 50 50 THR H H 585 7.615 7.615 7.590 0.025 18115
8322 1 20 . 1 1 51 51 LEU N N 586 120.550 120.550 119.775 0.775 18115
8323 1 20 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.594 -0.051 18115
8324 1 20 . 1 1 51 51 LEU C C 586 176.635 176.635 177.057 -0.422 18115
8325 1 20 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.736 0.225 18115
8326 1 20 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.551 0.521 18115
8327 1 20 . 1 1 51 51 LEU H H 586 8.254 8.254 7.714 0.540 18115
8328 1 20 . 1 1 52 52 ALA N N 587 123.048 123.048 123.437 -0.389 18115
8329 1 20 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.152 -0.076 18115
8330 1 20 . 1 1 52 52 ALA C C 587 176.356 176.356 177.141 -0.785 18115
8331 1 20 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.212 0.384 18115
8332 1 20 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.402 0.028 18115
8333 1 20 . 1 1 52 52 ALA H H 587 7.124 7.124 7.160 -0.036 18115
8334 1 20 . 1 1 53 53 GLU N N 588 118.471 118.471 120.671 -2.200 18115
8335 1 20 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.561 -0.201 18115
8336 1 20 . 1 1 53 53 GLU C C 588 177.945 177.945 178.369 -0.424 18115
8337 1 20 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.639 0.098 18115
8338 1 20 . 1 1 53 53 GLU CB C 588 31.199 31.199 31.225 -0.026 18115
8339 1 20 . 1 1 53 53 GLU H H 588 8.429 8.429 8.312 0.117 18115
8340 1 20 . 1 1 54 54 LYS N N 589 121.635 121.635 120.810 0.825 18115
8341 1 20 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.274 -0.124 18115
8342 1 20 . 1 1 54 54 LYS C C 589 178.445 178.445 177.932 0.513 18115
8343 1 20 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.172 0.535 18115
8344 1 20 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.048 0.742 18115
8345 1 20 . 1 1 54 54 LYS H H 589 8.763 8.763 8.849 -0.086 18115
8346 1 20 . 1 1 55 55 ASP N N 590 116.537 116.537 116.929 -0.392 18115
8347 1 20 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.485 -0.165 18115
8348 1 20 . 1 1 55 55 ASP C C 590 178.649 178.649 178.467 0.182 18115
8349 1 20 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.054 -0.042 18115
8350 1 20 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.747 0.342 18115
8351 1 20 . 1 1 55 55 ASP H H 590 8.814 8.814 8.826 -0.012 18115
8352 1 20 . 1 1 56 56 GLU N N 591 119.611 119.611 120.448 -0.837 18115
8353 1 20 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.185 -0.120 18115
8354 1 20 . 1 1 56 56 GLU C C 591 179.582 179.582 178.871 0.711 18115
8355 1 20 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.225 0.288 18115
8356 1 20 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.207 0.606 18115
8357 1 20 . 1 1 56 56 GLU H H 591 7.785 7.785 7.972 -0.187 18115
8358 1 20 . 1 1 57 57 PHE N N 592 117.509 117.509 118.728 -1.219 18115
8359 1 20 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.342 -0.117 18115
8360 1 20 . 1 1 57 57 PHE C C 592 178.436 178.436 178.099 0.337 18115
8361 1 20 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.503 0.108 18115
8362 1 20 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.659 0.175 18115
8363 1 20 . 1 1 57 57 PHE H H 592 7.443 7.443 7.399 0.044 18115
8364 1 20 . 1 1 58 58 GLU N N 593 118.501 118.501 119.630 -1.129 18115
8365 1 20 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.858 0.276 18115
8366 1 20 . 1 1 58 58 GLU C C 593 178.855 178.855 178.902 -0.047 18115
8367 1 20 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.833 -0.849 18115
8368 1 20 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.365 -0.298 18115
8369 1 20 . 1 1 58 58 GLU H H 593 7.952 7.952 8.864 -0.912 18115
8370 1 20 . 1 1 59 59 HIS N N 594 118.563 118.563 118.388 0.175 18115
8371 1 20 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.309 -0.096 18115
8372 1 20 . 1 1 59 59 HIS C C 594 177.856 177.856 177.485 0.371 18115
8373 1 20 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.078 0.190 18115
8374 1 20 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.835 -0.798 18115
8375 1 20 . 1 1 59 59 HIS H H 594 8.126 8.126 8.436 -0.310 18115
8376 1 20 . 1 1 60 60 LYS N N 595 119.034 119.034 120.264 -1.230 18115
8377 1 20 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.800 -0.106 18115
8378 1 20 . 1 1 60 60 LYS C C 595 178.057 178.057 178.372 -0.315 18115
8379 1 20 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.721 -1.574 18115
8380 1 20 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.902 -1.125 18115
8381 1 20 . 1 1 60 60 LYS H H 595 7.733 7.733 7.712 0.021 18115
8382 1 20 . 1 1 61 61 ARG N N 596 120.071 120.071 119.324 0.747 18115
8383 1 20 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.704 -0.056 18115
8384 1 20 . 1 1 61 61 ARG C C 596 177.921 177.921 178.137 -0.216 18115
8385 1 20 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.697 0.481 18115
8386 1 20 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.003 -0.198 18115
8387 1 20 . 1 1 61 61 ARG H H 596 8.167 8.167 8.515 -0.348 18115
8388 1 20 . 1 1 62 62 LYS N N 597 118.731 118.731 118.450 0.281 18115
8389 1 20 . 1 1 62 62 LYS HA H 597 3.886 3.886 3.996 -0.110 18115
8390 1 20 . 1 1 62 62 LYS C C 597 178.963 178.963 179.157 -0.194 18115
8391 1 20 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.789 0.447 18115
8392 1 20 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.750 0.148 18115
8393 1 20 . 1 1 62 62 LYS H H 597 7.948 7.948 7.592 0.356 18115
8394 1 20 . 1 1 63 63 GLU N N 598 118.881 118.881 119.912 -1.031 18115
8395 1 20 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.959 -0.083 18115
8396 1 20 . 1 1 63 63 GLU C C 598 179.408 179.408 179.086 0.322 18115
8397 1 20 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.066 0.319 18115
8398 1 20 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.507 0.896 18115
8399 1 20 . 1 1 63 63 GLU H H 598 7.794 7.794 7.618 0.176 18115
8400 1 20 . 1 1 64 64 LEU N N 599 119.904 119.904 120.341 -0.437 18115
8401 1 20 . 1 1 64 64 LEU HA H 599 4.070 4.070 4.004 0.066 18115
8402 1 20 . 1 1 64 64 LEU C C 599 178.814 178.814 178.596 0.218 18115
8403 1 20 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.835 0.161 18115
8404 1 20 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.461 0.560 18115
8405 1 20 . 1 1 64 64 LEU H H 599 7.800 7.800 8.354 -0.554 18115
8406 1 20 . 1 1 65 65 GLU N N 600 122.446 122.446 119.773 2.673 18115
8407 1 20 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.085 0.081 18115
8408 1 20 . 1 1 65 65 GLU C C 600 178.550 178.550 179.357 -0.807 18115
8409 1 20 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.409 0.322 18115
8410 1 20 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.533 0.736 18115
8411 1 20 . 1 1 65 65 GLU H H 600 8.948 8.948 8.235 0.713 18115
8412 1 20 . 1 1 66 66 GLN N N 601 116.068 116.068 117.805 -1.737 18115
8413 1 20 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.093 -0.142 18115
8414 1 20 . 1 1 66 66 GLN C C 601 178.277 178.277 178.378 -0.101 18115
8415 1 20 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.306 0.220 18115
8416 1 20 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.826 -0.204 18115
8417 1 20 . 1 1 66 66 GLN H H 601 8.109 8.109 7.722 0.387 18115
8418 1 20 . 1 1 67 67 VAL N N 602 116.121 116.121 118.445 -2.324 18115
8419 1 20 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.921 -0.116 18115
8420 1 20 . 1 1 67 67 VAL C C 602 177.423 177.423 176.927 0.496 18115
8421 1 20 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.605 0.500 18115
8422 1 20 . 1 1 67 67 VAL CB C 602 33.177 33.177 31.991 1.186 18115
8423 1 20 . 1 1 67 67 VAL H H 602 7.171 7.171 7.562 -0.391 18115
8424 1 20 . 1 1 68 68 CYS N N 603 114.504 114.504 114.378 0.126 18115
8425 1 20 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.319 -0.321 18115
8426 1 20 . 1 1 68 68 CYS C C 603 176.503 176.503 176.447 0.056 18115
8427 1 20 . 1 1 68 68 CYS CA C 603 63.325 63.325 60.178 3.147 18115
8428 1 20 . 1 1 68 68 CYS CB C 603 28.665 28.665 28.473 0.192 18115
8429 1 20 . 1 1 68 68 CYS H H 603 8.138 8.138 8.091 0.047 18115
8430 1 20 . 1 1 69 69 ASN N N 604 119.915 119.915 121.386 -1.471 18115
8431 1 20 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.527 0.047 18115
8432 1 20 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.328 0.487 18115
8433 1 20 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.508 -0.694 18115
8434 1 20 . 1 1 69 69 ASN H H 604 9.045 9.045 8.516 0.529 18115
8435 1 20 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.300 -0.029 18115
8436 1 20 . 1 1 70 70 PRO C C 605 177.471 177.471 176.958 0.513 18115
8437 1 20 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.059 0.611 18115
8438 1 20 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.408 0.180 18115
8439 1 20 . 1 1 71 71 ILE N N 606 115.752 115.752 114.174 1.578 18115
8440 1 20 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.043 -0.225 18115
8441 1 20 . 1 1 71 71 ILE C C 606 177.032 177.032 177.602 -0.570 18115
8442 1 20 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.702 -0.384 18115
8443 1 20 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.467 1.157 18115
8444 1 20 . 1 1 71 71 ILE H H 606 6.851 6.851 7.343 -0.492 18115
8445 1 20 . 1 1 72 72 ILE N N 607 116.042 116.042 122.023 -5.981 18115
8446 1 20 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.792 0.214 18115
8447 1 20 . 1 1 72 72 ILE C C 607 177.236 177.236 177.708 -0.472 18115
8448 1 20 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.401 -1.675 18115
8449 1 20 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.357 0.945 18115
8450 1 20 . 1 1 72 72 ILE H H 607 8.032 8.032 8.674 -0.642 18115
8451 1 20 . 1 1 73 73 SER N N 608 115.855 115.855 115.348 0.507 18115
8452 1 20 . 1 1 73 73 SER HA H 608 4.277 4.277 4.320 -0.043 18115
8453 1 20 . 1 1 73 73 SER C C 608 175.111 175.111 175.489 -0.378 18115
8454 1 20 . 1 1 73 73 SER CA C 608 60.134 60.134 60.197 -0.063 18115
8455 1 20 . 1 1 73 73 SER CB C 608 63.480 63.480 62.900 0.580 18115
8456 1 20 . 1 1 73 73 SER H H 608 8.001 8.001 7.865 0.136 18115
8457 1 20 . 1 1 74 74 GLY N N 609 109.991 109.991 108.850 1.141 18115
8458 1 20 . 1 1 74 74 GLY C C 609 173.508 173.508 173.186 0.322 18115
8459 1 20 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.943 0.372 18115
8460 1 20 . 1 1 74 74 GLY H H 609 7.924 7.924 7.707 0.217 18115
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 71 2.182 0.143 2.193 18115
2 1 1 "Average Difference" HA 75 0.188 0.084 0.170 18115
3 1 1 "Average Difference" C 71 0.797 -0.005 0.803 18115
4 1 1 "Average Difference" CA 72 0.876 -0.102 0.876 18115
5 1 1 "Average Difference" CB 69 0.605 -0.141 0.592 18115
6 1 1 "Average Difference" HN 71 0.456 0.075 0.453 18115
7 1 2 "Average Difference" N 71 2.079 0.338 2.066 18115
8 1 2 "Average Difference" HA 75 0.180 0.063 0.170 18115
9 1 2 "Average Difference" C 71 0.850 -0.017 0.856 18115
10 1 2 "Average Difference" CA 72 0.852 -0.087 0.854 18115
11 1 2 "Average Difference" CB 69 0.621 -0.186 0.597 18115
12 1 2 "Average Difference" HN 71 0.412 0.072 0.408 18115
13 1 3 "Average Difference" N 71 2.030 0.367 2.010 18115
14 1 3 "Average Difference" HA 75 0.181 0.070 0.168 18115
15 1 3 "Average Difference" C 71 0.816 -0.040 0.821 18115
16 1 3 "Average Difference" CA 72 0.910 -0.198 0.895 18115
17 1 3 "Average Difference" CB 69 0.642 -0.215 0.609 18115
18 1 3 "Average Difference" HN 71 0.404 0.017 0.406 18115
19 1 4 "Average Difference" N 71 1.913 0.353 1.893 18115
20 1 4 "Average Difference" HA 75 0.183 0.070 0.170 18115
21 1 4 "Average Difference" C 71 0.793 -0.015 0.798 18115
22 1 4 "Average Difference" CA 72 0.832 -0.068 0.835 18115
23 1 4 "Average Difference" CB 69 0.593 -0.158 0.576 18115
24 1 4 "Average Difference" HN 71 0.413 0.069 0.410 18115
25 1 5 "Average Difference" N 71 2.203 0.186 2.211 18115
26 1 5 "Average Difference" HA 75 0.189 0.085 0.170 18115
27 1 5 "Average Difference" C 71 0.848 0.010 0.854 18115
28 1 5 "Average Difference" CA 72 0.928 -0.119 0.927 18115
29 1 5 "Average Difference" CB 69 0.654 -0.189 0.631 18115
30 1 5 "Average Difference" HN 71 0.417 0.068 0.414 18115
31 1 6 "Average Difference" N 71 1.989 0.422 1.957 18115
32 1 6 "Average Difference" HA 75 0.172 0.060 0.162 18115
33 1 6 "Average Difference" C 71 0.839 0.018 0.845 18115
34 1 6 "Average Difference" CA 72 0.899 -0.123 0.896 18115
35 1 6 "Average Difference" CB 69 0.665 -0.241 0.625 18115
36 1 6 "Average Difference" HN 71 0.404 0.031 0.406 18115
37 1 7 "Average Difference" N 71 2.180 0.186 2.187 18115
38 1 7 "Average Difference" HA 75 0.167 0.072 0.152 18115
39 1 7 "Average Difference" C 71 0.768 -0.001 0.773 18115
40 1 7 "Average Difference" CA 72 0.842 -0.111 0.841 18115
41 1 7 "Average Difference" CB 69 0.596 -0.150 0.581 18115
42 1 7 "Average Difference" HN 71 0.456 0.010 0.459 18115
43 1 8 "Average Difference" N 71 1.962 0.307 1.952 18115
44 1 8 "Average Difference" HA 75 0.195 0.079 0.179 18115
45 1 8 "Average Difference" C 71 0.797 -0.022 0.803 18115
46 1 8 "Average Difference" CA 72 0.891 -0.166 0.881 18115
47 1 8 "Average Difference" CB 69 0.617 -0.196 0.589 18115
48 1 8 "Average Difference" HN 71 0.397 0.020 0.399 18115
49 1 9 "Average Difference" N 71 1.897 0.309 1.885 18115
50 1 9 "Average Difference" HA 75 0.193 0.075 0.179 18115
51 1 9 "Average Difference" C 71 0.794 0.030 0.799 18115
52 1 9 "Average Difference" CA 72 0.835 -0.121 0.832 18115
53 1 9 "Average Difference" CB 69 0.598 -0.175 0.576 18115
54 1 9 "Average Difference" HN 71 0.356 0.038 0.356 18115
55 1 10 "Average Difference" N 71 1.879 0.363 1.857 18115
56 1 10 "Average Difference" HA 75 0.174 0.052 0.167 18115
57 1 10 "Average Difference" C 71 0.833 -0.042 0.837 18115
58 1 10 "Average Difference" CA 72 0.832 -0.062 0.836 18115
59 1 10 "Average Difference" CB 69 0.610 -0.178 0.588 18115
60 1 10 "Average Difference" HN 71 0.406 0.050 0.406 18115
61 1 11 "Average Difference" N 71 1.914 0.341 1.897 18115
62 1 11 "Average Difference" HA 75 0.177 0.057 0.169 18115
63 1 11 "Average Difference" C 71 0.802 0.011 0.808 18115
64 1 11 "Average Difference" CA 72 0.842 -0.089 0.843 18115
65 1 11 "Average Difference" CB 69 0.637 -0.202 0.609 18115
66 1 11 "Average Difference" HN 71 0.414 0.070 0.412 18115
67 1 12 "Average Difference" N 71 2.024 0.416 1.995 18115
68 1 12 "Average Difference" HA 75 0.175 0.053 0.168 18115
69 1 12 "Average Difference" C 71 0.825 0.010 0.831 18115
70 1 12 "Average Difference" CA 72 0.820 -0.071 0.823 18115
71 1 12 "Average Difference" CB 69 0.585 -0.127 0.575 18115
72 1 12 "Average Difference" HN 71 0.394 0.064 0.391 18115
73 1 13 "Average Difference" N 71 1.934 0.337 1.918 18115
74 1 13 "Average Difference" HA 75 0.180 0.066 0.168 18115
75 1 13 "Average Difference" C 71 0.842 -0.009 0.848 18115
76 1 13 "Average Difference" CA 72 0.863 -0.147 0.857 18115
77 1 13 "Average Difference" CB 69 0.621 -0.168 0.603 18115
78 1 13 "Average Difference" HN 71 0.368 0.034 0.369 18115
79 1 14 "Average Difference" N 71 2.063 0.487 2.019 18115
80 1 14 "Average Difference" HA 75 0.180 0.065 0.169 18115
81 1 14 "Average Difference" C 71 0.843 -0.032 0.848 18115
82 1 14 "Average Difference" CA 72 0.830 -0.148 0.823 18115
83 1 14 "Average Difference" CB 69 0.583 -0.184 0.557 18115
84 1 14 "Average Difference" HN 71 0.405 0.056 0.404 18115
85 1 15 "Average Difference" N 71 2.174 0.141 2.185 18115
86 1 15 "Average Difference" HA 75 0.172 0.073 0.157 18115
87 1 15 "Average Difference" C 71 0.783 0.036 0.788 18115
88 1 15 "Average Difference" CA 72 0.866 -0.111 0.864 18115
89 1 15 "Average Difference" CB 69 0.571 -0.190 0.543 18115
90 1 15 "Average Difference" HN 71 0.455 0.037 0.456 18115
91 1 16 "Average Difference" N 71 2.043 0.407 2.016 18115
92 1 16 "Average Difference" HA 75 0.189 0.073 0.175 18115
93 1 16 "Average Difference" C 71 0.889 -0.006 0.895 18115
94 1 16 "Average Difference" CA 72 0.859 -0.143 0.853 18115
95 1 16 "Average Difference" CB 69 0.601 -0.183 0.577 18115
96 1 16 "Average Difference" HN 71 0.401 0.021 0.403 18115
97 1 17 "Average Difference" N 71 2.256 0.184 2.265 18115
98 1 17 "Average Difference" HA 75 0.176 0.085 0.156 18115
99 1 17 "Average Difference" C 71 0.841 0.043 0.846 18115
100 1 17 "Average Difference" CA 72 0.873 -0.096 0.874 18115
101 1 17 "Average Difference" CB 69 0.593 -0.166 0.573 18115
102 1 17 "Average Difference" HN 71 0.417 0.036 0.418 18115
103 1 18 "Average Difference" N 71 2.107 0.252 2.107 18115
104 1 18 "Average Difference" HA 75 0.189 0.085 0.170 18115
105 1 18 "Average Difference" C 71 0.820 0.039 0.825 18115
106 1 18 "Average Difference" CA 72 0.922 -0.077 0.925 18115
107 1 18 "Average Difference" CB 69 0.631 -0.194 0.605 18115
108 1 18 "Average Difference" HN 71 0.462 0.071 0.460 18115
109 1 19 "Average Difference" N 71 1.987 0.259 1.984 18115
110 1 19 "Average Difference" HA 75 0.180 0.068 0.168 18115
111 1 19 "Average Difference" C 71 0.825 -0.057 0.829 18115
112 1 19 "Average Difference" CA 72 0.785 -0.150 0.776 18115
113 1 19 "Average Difference" CB 69 0.602 -0.165 0.583 18115
114 1 19 "Average Difference" HN 71 0.410 0.030 0.412 18115
115 1 20 "Average Difference" N 71 1.941 0.280 1.934 18115
116 1 20 "Average Difference" HA 75 0.180 0.069 0.167 18115
117 1 20 "Average Difference" C 71 0.834 -0.073 0.837 18115
118 1 20 "Average Difference" CA 72 0.862 -0.166 0.851 18115
119 1 20 "Average Difference" CB 69 0.599 -0.182 0.575 18115
120 1 20 "Average Difference" HN 71 0.394 0.015 0.397 18115
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 18115
_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 3 3 ALA N N 538 127.340 127.340 125.435 1.905 18115
2 1 . 1 1 3 3 ALA HA H 538 4.107 4.107 3.998 0.109 18115
3 1 . 1 1 3 3 ALA C C 538 179.658 179.658 178.531 1.127 18115
4 1 . 1 1 3 3 ALA CA C 538 54.791 54.791 54.545 0.246 18115
5 1 . 1 1 3 3 ALA CB C 538 18.607 18.607 18.662 -0.055 18115
6 1 . 1 1 3 3 ALA H H 538 8.781 8.781 8.268 0.513 18115
7 1 . 1 1 4 4 LYS N N 539 120.439 120.439 117.992 2.447 18115
8 1 . 1 1 4 4 LYS HA H 539 3.265 3.265 3.441 -0.176 18115
9 1 . 1 1 4 4 LYS C C 539 177.428 177.428 177.929 -0.501 18115
10 1 . 1 1 4 4 LYS CA C 539 59.741 59.741 58.710 1.031 18115
11 1 . 1 1 4 4 LYS CB C 539 32.242 32.242 31.464 0.778 18115
12 1 . 1 1 4 4 LYS H H 539 8.006 8.006 7.743 0.263 18115
13 1 . 1 1 5 5 ASN N N 540 117.109 117.109 117.020 0.089 18115
14 1 . 1 1 5 5 ASN HA H 540 4.381 4.381 4.403 -0.022 18115
15 1 . 1 1 5 5 ASN C C 540 177.598 177.598 177.463 0.135 18115
16 1 . 1 1 5 5 ASN CA C 540 55.758 55.758 56.107 -0.348 18115
17 1 . 1 1 5 5 ASN CB C 540 38.286 38.286 37.737 0.549 18115
18 1 . 1 1 5 5 ASN H H 540 7.789 7.789 7.952 -0.163 18115
19 1 . 1 1 6 6 ALA N N 541 122.489 122.489 123.325 -0.836 18115
20 1 . 1 1 6 6 ALA HA H 541 4.104 4.104 4.128 -0.024 18115
21 1 . 1 1 6 6 ALA C C 541 180.393 180.393 179.855 0.538 18115
22 1 . 1 1 6 6 ALA CA C 541 55.036 55.036 55.109 -0.073 18115
23 1 . 1 1 6 6 ALA CB C 541 18.155 18.155 18.458 -0.303 18115
24 1 . 1 1 6 6 ALA H H 541 8.209 8.209 8.032 0.177 18115
25 1 . 1 1 7 7 LEU N N 542 120.603 120.603 119.891 0.712 18115
26 1 . 1 1 7 7 LEU HA H 542 4.193 4.193 4.097 0.096 18115
27 1 . 1 1 7 7 LEU C C 542 177.015 177.015 179.037 -2.022 18115
28 1 . 1 1 7 7 LEU CA C 542 57.955 57.955 58.166 -0.211 18115
29 1 . 1 1 7 7 LEU CB C 542 41.223 41.223 40.963 0.260 18115
30 1 . 1 1 7 7 LEU H H 542 7.775 7.775 8.419 -0.644 18115
31 1 . 1 1 8 8 GLU N N 543 119.550 119.550 120.011 -0.461 18115
32 1 . 1 1 8 8 GLU HA H 543 3.555 3.555 4.125 -0.570 18115
33 1 . 1 1 8 8 GLU C C 543 177.949 177.949 179.162 -1.213 18115
34 1 . 1 1 8 8 GLU CA C 543 60.312 60.312 60.206 0.105 18115
35 1 . 1 1 8 8 GLU CB C 543 30.425 30.425 29.809 0.616 18115
36 1 . 1 1 8 8 GLU H H 543 8.418 8.418 8.734 -0.316 18115
37 1 . 1 1 9 9 SER N N 544 112.181 112.181 115.959 -3.778 18115
38 1 . 1 1 9 9 SER HA H 544 4.192 4.192 4.206 -0.014 18115
39 1 . 1 1 9 9 SER C C 544 176.285 176.285 176.728 -0.443 18115
40 1 . 1 1 9 9 SER CA C 544 61.890 61.890 61.889 0.001 18115
41 1 . 1 1 9 9 SER CB C 544 63.000 63.000 63.010 -0.010 18115
42 1 . 1 1 9 9 SER H H 544 8.313 8.313 8.196 0.117 18115
43 1 . 1 1 10 10 TYR N N 545 122.309 122.309 123.350 -1.041 18115
44 1 . 1 1 10 10 TYR HA H 545 4.389 4.389 4.183 0.206 18115
45 1 . 1 1 10 10 TYR C C 545 177.193 177.193 177.061 0.132 18115
46 1 . 1 1 10 10 TYR CA C 545 61.342 61.342 61.437 -0.095 18115
47 1 . 1 1 10 10 TYR CB C 545 38.887 38.887 38.317 0.570 18115
48 1 . 1 1 10 10 TYR H H 545 7.811 7.811 8.279 -0.468 18115
49 1 . 1 1 11 11 ALA N N 546 120.404 120.404 122.239 -1.835 18115
50 1 . 1 1 11 11 ALA HA H 546 3.789 3.789 4.182 -0.393 18115
51 1 . 1 1 11 11 ALA C C 546 179.480 179.480 179.857 -0.377 18115
52 1 . 1 1 11 11 ALA CA C 546 55.688 55.688 54.940 0.748 18115
53 1 . 1 1 11 11 ALA CB C 546 17.626 17.626 18.212 -0.586 18115
54 1 . 1 1 11 11 ALA H H 546 8.456 8.456 8.624 -0.168 18115
55 1 . 1 1 12 12 PHE N N 547 116.158 116.158 118.597 -2.439 18115
56 1 . 1 1 12 12 PHE HA H 547 4.145 4.145 4.114 0.031 18115
57 1 . 1 1 12 12 PHE C C 547 179.133 179.133 177.966 1.167 18115
58 1 . 1 1 12 12 PHE CA C 547 61.413 61.413 62.760 -1.347 18115
59 1 . 1 1 12 12 PHE CB C 547 38.280 38.280 38.740 -0.460 18115
60 1 . 1 1 12 12 PHE H H 547 8.430 8.430 9.067 -0.637 18115
61 1 . 1 1 13 13 ASN N N 548 120.231 120.231 118.387 1.844 18115
62 1 . 1 1 13 13 ASN HA H 548 4.419 4.419 4.455 -0.036 18115
63 1 . 1 1 13 13 ASN C C 548 178.326 178.326 177.841 0.485 18115
64 1 . 1 1 13 13 ASN CA C 548 55.952 55.952 56.453 -0.501 18115
65 1 . 1 1 13 13 ASN CB C 548 37.954 37.954 38.308 -0.354 18115
66 1 . 1 1 13 13 ASN H H 548 8.654 8.654 8.479 0.175 18115
67 1 . 1 1 14 14 MET N N 549 121.990 121.990 118.558 3.432 18115
68 1 . 1 1 14 14 MET HA H 549 4.278 4.278 4.207 0.071 18115
69 1 . 1 1 14 14 MET C C 549 176.929 176.929 178.212 -1.283 18115
70 1 . 1 1 14 14 MET CA C 549 57.182 57.182 57.726 -0.544 18115
71 1 . 1 1 14 14 MET CB C 549 32.998 32.998 31.809 1.189 18115
72 1 . 1 1 14 14 MET H H 549 8.331 8.331 8.284 0.047 18115
73 1 . 1 1 15 15 LYS N N 550 119.946 119.946 120.919 -0.973 18115
74 1 . 1 1 15 15 LYS HA H 550 3.715 3.715 3.888 -0.173 18115
75 1 . 1 1 15 15 LYS C C 550 177.879 177.879 178.939 -1.060 18115
76 1 . 1 1 15 15 LYS CA C 550 59.971 59.971 60.109 -0.138 18115
77 1 . 1 1 15 15 LYS CB C 550 32.810 32.810 32.195 0.615 18115
78 1 . 1 1 15 15 LYS H H 550 7.731 7.731 8.426 -0.695 18115
79 1 . 1 1 16 16 SER N N 551 111.477 111.477 115.041 -3.564 18115
80 1 . 1 1 16 16 SER HA H 551 4.093 4.093 4.205 -0.112 18115
81 1 . 1 1 16 16 SER C C 551 177.031 177.031 176.237 0.794 18115
82 1 . 1 1 16 16 SER CA C 551 61.173 61.173 61.184 -0.011 18115
83 1 . 1 1 16 16 SER CB C 551 63.007 63.007 63.014 -0.007 18115
84 1 . 1 1 16 16 SER H H 551 7.766 7.766 8.338 -0.572 18115
85 1 . 1 1 17 17 ALA N N 552 123.689 123.689 122.716 0.973 18115
86 1 . 1 1 17 17 ALA HA H 552 4.083 4.083 4.154 -0.071 18115
87 1 . 1 1 17 17 ALA C C 552 180.384 180.384 179.928 0.456 18115
88 1 . 1 1 17 17 ALA CA C 552 55.288 55.288 54.712 0.576 18115
89 1 . 1 1 17 17 ALA CB C 552 18.165 18.165 18.702 -0.537 18115
90 1 . 1 1 17 17 ALA H H 552 8.089 8.089 7.807 0.282 18115
91 1 . 1 1 18 18 VAL N N 553 109.294 109.294 113.749 -4.455 18115
92 1 . 1 1 18 18 VAL HA H 553 4.016 4.016 3.841 0.175 18115
93 1 . 1 1 18 18 VAL C C 553 176.352 176.352 177.510 -1.158 18115
94 1 . 1 1 18 18 VAL CA C 553 63.758 63.758 65.176 -1.418 18115
95 1 . 1 1 18 18 VAL CB C 553 31.652 31.652 31.909 -0.257 18115
96 1 . 1 1 18 18 VAL H H 553 7.560 7.560 7.658 -0.098 18115
97 1 . 1 1 19 19 GLU N N 554 118.414 118.414 117.588 0.826 18115
98 1 . 1 1 19 19 GLU HA H 554 4.215 4.215 4.259 -0.044 18115
99 1 . 1 1 19 19 GLU C C 554 176.794 176.794 176.266 0.528 18115
100 1 . 1 1 19 19 GLU CA C 554 56.744 56.744 56.354 0.390 18115
101 1 . 1 1 19 19 GLU CB C 554 30.159 30.159 29.354 0.805 18115
102 1 . 1 1 19 19 GLU H H 554 7.389 7.389 7.776 -0.387 18115
103 1 . 1 1 20 20 ASP N N 555 120.735 120.735 120.384 0.351 18115
104 1 . 1 1 20 20 ASP HA H 555 4.367 4.367 4.531 -0.164 18115
105 1 . 1 1 20 20 ASP C C 555 178.171 178.171 177.114 1.057 18115
106 1 . 1 1 20 20 ASP CA C 555 55.867 55.867 54.431 1.436 18115
107 1 . 1 1 20 20 ASP CB C 555 42.874 42.874 42.362 0.512 18115
108 1 . 1 1 20 20 ASP H H 555 7.224 7.224 7.300 -0.076 18115
109 1 . 1 1 21 21 GLU N N 556 126.927 126.927 124.208 2.719 18115
110 1 . 1 1 21 21 GLU HA H 556 3.981 3.981 4.135 -0.154 18115
111 1 . 1 1 21 21 GLU C C 556 178.691 178.691 177.022 1.669 18115
112 1 . 1 1 21 21 GLU CA C 556 59.144 59.144 57.936 1.208 18115
113 1 . 1 1 21 21 GLU CB C 556 29.550 29.550 29.262 0.288 18115
114 1 . 1 1 21 21 GLU H H 556 9.007 9.007 8.764 0.243 18115
115 1 . 1 1 22 22 GLY N N 557 108.255 108.255 106.465 1.790 18115
116 1 . 1 1 22 22 GLY C C 557 175.344 175.344 175.269 0.075 18115
117 1 . 1 1 22 22 GLY CA C 557 46.408 46.408 45.399 1.009 18115
118 1 . 1 1 22 22 GLY H H 557 9.031 9.031 8.413 0.618 18115
119 1 . 1 1 23 23 LEU N N 558 119.463 119.463 121.511 -2.048 18115
120 1 . 1 1 23 23 LEU HA H 558 4.346 4.346 4.339 0.007 18115
121 1 . 1 1 23 23 LEU C C 558 177.893 177.893 176.628 1.265 18115
122 1 . 1 1 23 23 LEU CA C 558 54.920 54.920 54.928 -0.008 18115
123 1 . 1 1 23 23 LEU CB C 558 42.386 42.386 42.377 0.009 18115
124 1 . 1 1 23 23 LEU H H 558 7.606 7.606 8.061 -0.455 18115
125 1 . 1 1 24 24 LYS N N 559 120.994 120.994 119.164 1.830 18115
126 1 . 1 1 24 24 LYS HA H 559 4.072 4.072 4.154 -0.082 18115
127 1 . 1 1 24 24 LYS C C 559 177.830 177.830 177.362 0.468 18115
128 1 . 1 1 24 24 LYS CA C 559 58.477 58.477 57.883 0.594 18115
129 1 . 1 1 24 24 LYS CB C 559 32.359 32.359 31.816 0.543 18115
130 1 . 1 1 24 24 LYS H H 559 7.572 7.572 7.633 -0.061 18115
131 1 . 1 1 25 25 GLY N N 560 111.895 111.895 112.037 -0.142 18115
132 1 . 1 1 25 25 GLY C C 560 174.451 174.451 175.172 -0.721 18115
133 1 . 1 1 25 25 GLY CA C 560 45.586 45.586 45.312 0.274 18115
134 1 . 1 1 25 25 GLY H H 560 8.770 8.770 8.352 0.418 18115
135 1 . 1 1 26 26 LYS N N 561 118.925 118.925 120.441 -1.516 18115
136 1 . 1 1 26 26 LYS HA H 561 4.336 4.336 4.280 0.056 18115
137 1 . 1 1 26 26 LYS C C 561 175.860 175.860 176.862 -1.002 18115
138 1 . 1 1 26 26 LYS CA C 561 56.866 56.866 57.469 -0.603 18115
139 1 . 1 1 26 26 LYS CB C 561 34.201 34.201 33.301 0.900 18115
140 1 . 1 1 26 26 LYS H H 561 8.116 8.116 7.794 0.322 18115
141 1 . 1 1 27 27 ILE N N 562 116.463 116.463 119.510 -3.047 18115
142 1 . 1 1 27 27 ILE HA H 562 4.498 4.498 4.266 0.232 18115
143 1 . 1 1 27 27 ILE C C 562 174.838 174.838 174.194 0.644 18115
144 1 . 1 1 27 27 ILE CA C 562 59.388 59.388 59.884 -0.496 18115
145 1 . 1 1 27 27 ILE CB C 562 40.669 40.669 40.591 0.078 18115
146 1 . 1 1 27 27 ILE H H 562 7.430 7.430 7.498 -0.068 18115
147 1 . 1 1 28 28 SER N N 563 124.501 124.501 120.989 3.512 18115
148 1 . 1 1 28 28 SER HA H 563 4.404 4.404 4.563 -0.159 18115
149 1 . 1 1 28 28 SER C C 563 174.870 174.870 175.579 -0.709 18115
150 1 . 1 1 28 28 SER CA C 563 57.432 57.432 57.601 -0.169 18115
151 1 . 1 1 28 28 SER CB C 563 64.793 64.793 64.280 0.513 18115
152 1 . 1 1 28 28 SER H H 563 9.375 9.375 8.582 0.793 18115
153 1 . 1 1 29 29 GLU N N 564 122.048 122.048 124.913 -2.865 18115
154 1 . 1 1 29 29 GLU HA H 564 3.900 3.900 3.954 -0.054 18115
155 1 . 1 1 29 29 GLU C C 564 179.396 179.396 178.374 1.022 18115
156 1 . 1 1 29 29 GLU CA C 564 59.714 59.714 59.808 -0.094 18115
157 1 . 1 1 29 29 GLU CB C 564 29.218 29.218 29.116 0.102 18115
158 1 . 1 1 29 29 GLU H H 564 8.970 8.970 9.033 -0.063 18115
159 1 . 1 1 30 30 ALA N N 565 120.829 120.829 122.138 -1.309 18115
160 1 . 1 1 30 30 ALA HA H 565 4.046 4.046 4.057 -0.011 18115
161 1 . 1 1 30 30 ALA C C 565 180.524 180.524 179.627 0.897 18115
162 1 . 1 1 30 30 ALA CA C 565 55.038 55.038 55.322 -0.284 18115
163 1 . 1 1 30 30 ALA CB C 565 18.463 18.463 17.864 0.599 18115
164 1 . 1 1 30 30 ALA H H 565 8.465 8.465 8.331 0.134 18115
165 1 . 1 1 31 31 ASP N N 566 121.111 121.111 118.968 2.143 18115
166 1 . 1 1 31 31 ASP HA H 566 4.439 4.439 4.318 0.121 18115
167 1 . 1 1 31 31 ASP C C 566 177.738 177.738 178.536 -0.798 18115
168 1 . 1 1 31 31 ASP CA C 566 57.306 57.306 57.941 -0.635 18115
169 1 . 1 1 31 31 ASP CB C 566 39.955 39.955 40.421 -0.466 18115
170 1 . 1 1 31 31 ASP H H 566 7.835 7.835 7.831 0.004 18115
171 1 . 1 1 32 32 LYS N N 567 121.278 121.278 121.227 0.051 18115
172 1 . 1 1 32 32 LYS HA H 567 3.593 3.593 3.851 -0.258 18115
173 1 . 1 1 32 32 LYS C C 567 177.700 177.700 178.840 -1.140 18115
174 1 . 1 1 32 32 LYS CA C 567 60.553 60.553 59.793 0.760 18115
175 1 . 1 1 32 32 LYS CB C 567 32.596 32.596 32.424 0.172 18115
176 1 . 1 1 32 32 LYS H H 567 8.379 8.379 8.219 0.160 18115
177 1 . 1 1 33 33 LYS N N 568 117.531 117.531 118.415 -0.884 18115
178 1 . 1 1 33 33 LYS HA H 568 3.839 3.839 3.961 -0.122 18115
179 1 . 1 1 33 33 LYS C C 568 177.391 177.391 178.896 -1.505 18115
180 1 . 1 1 33 33 LYS CA C 568 59.407 59.407 59.800 -0.393 18115
181 1 . 1 1 33 33 LYS CB C 568 32.481 32.481 32.511 -0.030 18115
182 1 . 1 1 33 33 LYS H H 568 7.846 7.846 8.442 -0.596 18115
183 1 . 1 1 34 34 LYS N N 569 118.376 118.376 119.604 -1.228 18115
184 1 . 1 1 34 34 LYS HA H 569 3.999 3.999 4.047 -0.048 18115
185 1 . 1 1 34 34 LYS C C 569 180.064 180.064 178.975 1.089 18115
186 1 . 1 1 34 34 LYS CA C 569 59.953 59.953 59.340 0.613 18115
187 1 . 1 1 34 34 LYS CB C 569 32.854 32.854 32.182 0.672 18115
188 1 . 1 1 34 34 LYS H H 569 7.647 7.647 8.070 -0.423 18115
189 1 . 1 1 35 35 VAL N N 570 118.353 118.353 120.963 -2.610 18115
190 1 . 1 1 35 35 VAL HA H 570 3.474 3.474 3.752 -0.278 18115
191 1 . 1 1 35 35 VAL C C 570 178.019 178.019 177.443 0.576 18115
192 1 . 1 1 35 35 VAL CA C 570 66.952 66.952 65.891 1.061 18115
193 1 . 1 1 35 35 VAL CB C 570 32.533 32.533 32.098 0.435 18115
194 1 . 1 1 35 35 VAL H H 570 7.638 7.638 7.944 -0.306 18115
195 1 . 1 1 36 36 LEU N N 571 120.671 120.671 121.364 -0.693 18115
196 1 . 1 1 36 36 LEU HA H 571 3.790 3.790 3.835 -0.045 18115
197 1 . 1 1 36 36 LEU C C 571 180.444 180.444 178.962 1.482 18115
198 1 . 1 1 36 36 LEU CA C 571 58.913 58.913 58.769 0.144 18115
199 1 . 1 1 36 36 LEU CB C 571 41.208 41.208 41.328 -0.120 18115
200 1 . 1 1 36 36 LEU H H 571 8.693 8.693 8.248 0.445 18115
201 1 . 1 1 37 37 ASP N N 572 120.071 120.071 119.074 0.997 18115
202 1 . 1 1 37 37 ASP HA H 572 4.319 4.319 4.288 0.031 18115
203 1 . 1 1 37 37 ASP C C 572 179.345 179.345 178.533 0.812 18115
204 1 . 1 1 37 37 ASP CA C 572 57.283 57.283 57.818 -0.535 18115
205 1 . 1 1 37 37 ASP CB C 572 39.676 39.676 40.879 -1.203 18115
206 1 . 1 1 37 37 ASP H H 572 9.265 9.265 8.385 0.880 18115
207 1 . 1 1 38 38 LYS N N 573 121.858 121.858 120.593 1.265 18115
208 1 . 1 1 38 38 LYS HA H 573 4.260 4.260 4.162 0.098 18115
209 1 . 1 1 38 38 LYS C C 573 178.856 178.856 178.763 0.093 18115
210 1 . 1 1 38 38 LYS CA C 573 57.061 57.061 58.625 -1.564 18115
211 1 . 1 1 38 38 LYS CB C 573 30.986 30.986 31.857 -0.871 18115
212 1 . 1 1 38 38 LYS H H 573 7.674 7.674 8.029 -0.355 18115
213 1 . 1 1 39 39 CYS N N 574 117.635 117.635 118.669 -1.034 18115
214 1 . 1 1 39 39 CYS HA H 574 3.863 3.863 4.091 -0.229 18115
215 1 . 1 1 39 39 CYS C C 574 176.479 176.479 176.970 -0.491 18115
216 1 . 1 1 39 39 CYS CA C 574 65.570 65.570 64.177 1.392 18115
217 1 . 1 1 39 39 CYS CB C 574 26.680 26.680 27.006 -0.326 18115
218 1 . 1 1 39 39 CYS H H 574 8.818 8.818 8.719 0.099 18115
219 1 . 1 1 40 40 GLN N N 575 118.089 118.089 119.074 -0.985 18115
220 1 . 1 1 40 40 GLN HA H 575 3.959 3.959 4.009 -0.050 18115
221 1 . 1 1 40 40 GLN C C 575 178.023 178.023 178.525 -0.502 18115
222 1 . 1 1 40 40 GLN CA C 575 58.669 58.669 58.842 -0.173 18115
223 1 . 1 1 40 40 GLN CB C 575 28.090 28.090 28.122 -0.032 18115
224 1 . 1 1 40 40 GLN H H 575 8.203 8.203 8.367 -0.164 18115
225 1 . 1 1 41 41 GLU N N 576 121.535 121.535 120.698 0.837 18115
226 1 . 1 1 41 41 GLU HA H 576 3.992 3.992 4.059 -0.067 18115
227 1 . 1 1 41 41 GLU C C 576 179.586 179.586 179.160 0.426 18115
228 1 . 1 1 41 41 GLU CA C 576 59.889 59.889 59.717 0.172 18115
229 1 . 1 1 41 41 GLU CB C 576 30.013 30.013 29.623 0.389 18115
230 1 . 1 1 41 41 GLU H H 576 8.074 8.074 7.970 0.104 18115
231 1 . 1 1 42 42 VAL N N 577 120.038 120.038 120.201 -0.163 18115
232 1 . 1 1 42 42 VAL HA H 577 3.711 3.711 3.827 -0.116 18115
233 1 . 1 1 42 42 VAL C C 577 177.102 177.102 177.869 -0.767 18115
234 1 . 1 1 42 42 VAL CA C 577 67.120 67.120 65.723 1.397 18115
235 1 . 1 1 42 42 VAL CB C 577 31.532 31.532 31.917 -0.385 18115
236 1 . 1 1 42 42 VAL H H 577 8.144 8.144 8.031 0.113 18115
237 1 . 1 1 43 43 ILE N N 578 122.306 122.306 120.557 1.749 18115
238 1 . 1 1 43 43 ILE HA H 578 3.697 3.697 3.749 -0.052 18115
239 1 . 1 1 43 43 ILE C C 578 178.491 178.491 177.982 0.509 18115
240 1 . 1 1 43 43 ILE CA C 578 65.618 65.618 66.108 -0.490 18115
241 1 . 1 1 43 43 ILE CB C 578 37.687 37.687 37.714 -0.027 18115
242 1 . 1 1 43 43 ILE H H 578 8.504 8.504 8.567 -0.063 18115
243 1 . 1 1 44 44 SER N N 579 115.928 115.928 115.684 0.244 18115
244 1 . 1 1 44 44 SER HA H 579 4.265 4.265 4.269 -0.004 18115
245 1 . 1 1 44 44 SER C C 579 177.129 177.129 176.499 0.630 18115
246 1 . 1 1 44 44 SER CA C 579 62.208 62.208 61.507 0.701 18115
247 1 . 1 1 44 44 SER CB C 579 62.906 62.906 62.929 -0.023 18115
248 1 . 1 1 44 44 SER H H 579 8.562 8.562 8.422 0.140 18115
249 1 . 1 1 45 45 TRP N N 580 124.917 124.917 124.589 0.328 18115
250 1 . 1 1 45 45 TRP HA H 580 4.041 4.041 4.419 -0.378 18115
251 1 . 1 1 45 45 TRP C C 580 179.278 179.278 177.688 1.590 18115
252 1 . 1 1 45 45 TRP CA C 580 62.505 62.505 61.305 1.200 18115
253 1 . 1 1 45 45 TRP CB C 580 28.518 28.518 29.579 -1.061 18115
254 1 . 1 1 45 45 TRP H H 580 8.406 8.406 8.072 0.334 18115
255 1 . 1 1 46 46 LEU N N 581 122.211 122.211 119.883 2.328 18115
256 1 . 1 1 46 46 LEU HA H 581 3.656 3.656 3.815 -0.159 18115
257 1 . 1 1 46 46 LEU C C 581 179.119 179.119 178.918 0.201 18115
258 1 . 1 1 46 46 LEU CA C 581 58.434 58.434 58.123 0.311 18115
259 1 . 1 1 46 46 LEU CB C 581 42.539 42.539 41.763 0.776 18115
260 1 . 1 1 46 46 LEU H H 581 9.012 9.012 8.644 0.368 18115
261 1 . 1 1 47 47 ASP N N 582 117.724 117.724 117.726 -0.002 18115
262 1 . 1 1 47 47 ASP HA H 582 4.278 4.278 4.362 -0.084 18115
263 1 . 1 1 47 47 ASP C C 582 177.154 177.154 177.599 -0.445 18115
264 1 . 1 1 47 47 ASP CA C 582 56.794 56.794 56.840 -0.046 18115
265 1 . 1 1 47 47 ASP CB C 582 41.189 41.189 41.143 0.046 18115
266 1 . 1 1 47 47 ASP H H 582 7.665 7.665 7.863 -0.198 18115
267 1 . 1 1 48 48 ALA N N 583 118.604 118.604 119.995 -1.391 18115
268 1 . 1 1 48 48 ALA HA H 583 4.288 4.288 4.204 0.083 18115
269 1 . 1 1 48 48 ALA C C 583 177.776 177.776 177.913 -0.137 18115
270 1 . 1 1 48 48 ALA CA C 583 52.353 52.353 53.563 -1.210 18115
271 1 . 1 1 48 48 ALA CB C 583 19.893 19.893 19.394 0.499 18115
272 1 . 1 1 48 48 ALA H H 583 7.129 7.129 7.228 -0.099 18115
273 1 . 1 1 49 49 ASN N N 584 118.883 118.883 116.747 2.136 18115
274 1 . 1 1 49 49 ASN HA H 584 4.671 4.671 4.813 -0.142 18115
275 1 . 1 1 49 49 ASN C C 584 174.761 174.761 175.369 -0.608 18115
276 1 . 1 1 49 49 ASN CA C 584 52.848 52.848 52.007 0.841 18115
277 1 . 1 1 49 49 ASN CB C 584 37.968 37.968 38.105 -0.137 18115
278 1 . 1 1 49 49 ASN H H 584 7.284 7.284 7.899 -0.615 18115
279 1 . 1 1 50 50 THR N N 585 112.258 112.258 113.769 -1.511 18115
280 1 . 1 1 50 50 THR HA H 585 3.967 3.967 4.244 -0.277 18115
281 1 . 1 1 50 50 THR C C 585 175.787 175.787 175.116 0.671 18115
282 1 . 1 1 50 50 THR CA C 585 65.175 65.175 64.254 0.921 18115
283 1 . 1 1 50 50 THR CB C 585 69.336 69.336 68.866 0.471 18115
284 1 . 1 1 50 50 THR H H 585 7.615 7.615 8.007 -0.392 18115
285 1 . 1 1 51 51 LEU N N 586 120.550 120.550 119.537 1.014 18115
286 1 . 1 1 51 51 LEU HA H 586 4.543 4.543 4.562 -0.019 18115
287 1 . 1 1 51 51 LEU C C 586 176.635 176.635 176.892 -0.257 18115
288 1 . 1 1 51 51 LEU CA C 586 53.961 53.961 53.736 0.225 18115
289 1 . 1 1 51 51 LEU CB C 586 41.072 41.072 40.596 0.476 18115
290 1 . 1 1 51 51 LEU H H 586 8.254 8.254 7.654 0.600 18115
291 1 . 1 1 52 52 ALA N N 587 123.048 123.048 123.020 0.028 18115
292 1 . 1 1 52 52 ALA HA H 587 4.076 4.076 4.124 -0.048 18115
293 1 . 1 1 52 52 ALA C C 587 176.356 176.356 177.215 -0.859 18115
294 1 . 1 1 52 52 ALA CA C 587 52.596 52.596 52.110 0.485 18115
295 1 . 1 1 52 52 ALA CB C 587 19.431 19.431 19.368 0.063 18115
296 1 . 1 1 52 52 ALA H H 587 7.124 7.124 7.241 -0.117 18115
297 1 . 1 1 53 53 GLU N N 588 118.471 118.471 120.371 -1.900 18115
298 1 . 1 1 53 53 GLU HA H 588 4.360 4.360 4.463 -0.103 18115
299 1 . 1 1 53 53 GLU C C 588 177.945 177.945 178.265 -0.320 18115
300 1 . 1 1 53 53 GLU CA C 588 55.737 55.737 55.873 -0.136 18115
301 1 . 1 1 53 53 GLU CB C 588 31.199 31.199 30.826 0.373 18115
302 1 . 1 1 53 53 GLU H H 588 8.429 8.429 8.426 0.003 18115
303 1 . 1 1 54 54 LYS N N 589 121.635 121.635 121.499 0.136 18115
304 1 . 1 1 54 54 LYS HA H 589 4.150 4.150 4.239 -0.089 18115
305 1 . 1 1 54 54 LYS C C 589 178.445 178.445 178.051 0.394 18115
306 1 . 1 1 54 54 LYS CA C 589 60.707 60.707 60.138 0.569 18115
307 1 . 1 1 54 54 LYS CB C 589 32.790 32.790 32.092 0.698 18115
308 1 . 1 1 54 54 LYS H H 589 8.763 8.763 8.810 -0.047 18115
309 1 . 1 1 55 55 ASP N N 590 116.537 116.537 118.215 -1.678 18115
310 1 . 1 1 55 55 ASP HA H 590 4.320 4.320 4.438 -0.118 18115
311 1 . 1 1 55 55 ASP C C 590 178.649 178.649 178.513 0.136 18115
312 1 . 1 1 55 55 ASP CA C 590 57.012 57.012 57.402 -0.390 18115
313 1 . 1 1 55 55 ASP CB C 590 40.089 40.089 39.901 0.188 18115
314 1 . 1 1 55 55 ASP H H 590 8.814 8.814 8.776 0.038 18115
315 1 . 1 1 56 56 GLU N N 591 119.611 119.611 120.302 -0.691 18115
316 1 . 1 1 56 56 GLU HA H 591 4.065 4.065 4.153 -0.088 18115
317 1 . 1 1 56 56 GLU C C 591 179.582 179.582 178.866 0.716 18115
318 1 . 1 1 56 56 GLU CA C 591 59.513 59.513 59.143 0.370 18115
319 1 . 1 1 56 56 GLU CB C 591 29.813 29.813 29.278 0.535 18115
320 1 . 1 1 56 56 GLU H H 591 7.785 7.785 7.838 -0.053 18115
321 1 . 1 1 57 57 PHE N N 592 117.509 117.509 118.656 -1.147 18115
322 1 . 1 1 57 57 PHE HA H 592 4.225 4.225 4.416 -0.191 18115
323 1 . 1 1 57 57 PHE C C 592 178.436 178.436 178.181 0.255 18115
324 1 . 1 1 57 57 PHE CA C 592 61.611 61.611 61.772 -0.161 18115
325 1 . 1 1 57 57 PHE CB C 592 38.834 38.834 38.643 0.191 18115
326 1 . 1 1 57 57 PHE H H 592 7.443 7.443 7.566 -0.123 18115
327 1 . 1 1 58 58 GLU N N 593 118.501 118.501 119.549 -1.048 18115
328 1 . 1 1 58 58 GLU HA H 593 4.134 4.134 3.954 0.180 18115
329 1 . 1 1 58 58 GLU C C 593 178.855 178.855 179.157 -0.302 18115
330 1 . 1 1 58 58 GLU CA C 593 58.984 58.984 59.675 -0.691 18115
331 1 . 1 1 58 58 GLU CB C 593 29.067 29.067 29.080 -0.013 18115
332 1 . 1 1 58 58 GLU H H 593 7.952 7.952 8.611 -0.659 18115
333 1 . 1 1 59 59 HIS N N 594 118.563 118.563 118.584 -0.021 18115
334 1 . 1 1 59 59 HIS HA H 594 4.213 4.213 4.286 -0.073 18115
335 1 . 1 1 59 59 HIS C C 594 177.856 177.856 177.476 0.380 18115
336 1 . 1 1 59 59 HIS CA C 594 59.268 59.268 59.244 0.024 18115
337 1 . 1 1 59 59 HIS CB C 594 29.037 29.037 29.947 -0.910 18115
338 1 . 1 1 59 59 HIS H H 594 8.126 8.126 8.340 -0.214 18115
339 1 . 1 1 60 60 LYS N N 595 119.034 119.034 120.153 -1.119 18115
340 1 . 1 1 60 60 LYS HA H 595 3.694 3.694 3.902 -0.208 18115
341 1 . 1 1 60 60 LYS C C 595 178.057 178.057 178.575 -0.518 18115
342 1 . 1 1 60 60 LYS CA C 595 57.147 57.147 58.283 -1.136 18115
343 1 . 1 1 60 60 LYS CB C 595 30.777 30.777 31.748 -0.971 18115
344 1 . 1 1 60 60 LYS H H 595 7.733 7.733 7.810 -0.077 18115
345 1 . 1 1 61 61 ARG N N 596 120.071 120.071 119.343 0.728 18115
346 1 . 1 1 61 61 ARG HA H 596 3.648 3.648 3.710 -0.062 18115
347 1 . 1 1 61 61 ARG C C 596 177.921 177.921 178.148 -0.227 18115
348 1 . 1 1 61 61 ARG CA C 596 60.178 60.178 59.813 0.365 18115
349 1 . 1 1 61 61 ARG CB C 596 29.805 29.805 30.002 -0.197 18115
350 1 . 1 1 61 61 ARG H H 596 8.167 8.167 8.439 -0.272 18115
351 1 . 1 1 62 62 LYS N N 597 118.731 118.731 118.409 0.322 18115
352 1 . 1 1 62 62 LYS HA H 597 3.886 3.886 4.057 -0.171 18115
353 1 . 1 1 62 62 LYS C C 597 178.963 178.963 179.188 -0.225 18115
354 1 . 1 1 62 62 LYS CA C 597 59.237 59.237 58.470 0.767 18115
355 1 . 1 1 62 62 LYS CB C 597 31.899 31.899 31.550 0.349 18115
356 1 . 1 1 62 62 LYS H H 597 7.948 7.948 7.608 0.340 18115
357 1 . 1 1 63 63 GLU N N 598 118.881 118.881 120.201 -1.320 18115
358 1 . 1 1 63 63 GLU HA H 598 3.876 3.876 3.940 -0.064 18115
359 1 . 1 1 63 63 GLU C C 598 179.408 179.408 179.045 0.363 18115
360 1 . 1 1 63 63 GLU CA C 598 59.385 59.385 59.132 0.253 18115
361 1 . 1 1 63 63 GLU CB C 598 30.403 30.403 29.463 0.940 18115
362 1 . 1 1 63 63 GLU H H 598 7.794 7.794 7.784 0.010 18115
363 1 . 1 1 64 64 LEU N N 599 119.904 119.904 120.393 -0.489 18115
364 1 . 1 1 64 64 LEU HA H 599 4.070 4.070 3.959 0.111 18115
365 1 . 1 1 64 64 LEU C C 599 178.814 178.814 178.704 0.110 18115
366 1 . 1 1 64 64 LEU CA C 599 57.996 57.996 57.753 0.243 18115
367 1 . 1 1 64 64 LEU CB C 599 42.020 42.020 41.391 0.629 18115
368 1 . 1 1 64 64 LEU H H 599 7.800 7.800 8.374 -0.574 18115
369 1 . 1 1 65 65 GLU N N 600 122.446 122.446 119.971 2.475 18115
370 1 . 1 1 65 65 GLU HA H 600 4.166 4.166 4.062 0.104 18115
371 1 . 1 1 65 65 GLU C C 600 178.550 178.550 179.379 -0.829 18115
372 1 . 1 1 65 65 GLU CA C 600 59.731 59.731 59.534 0.198 18115
373 1 . 1 1 65 65 GLU CB C 600 30.269 30.269 29.484 0.785 18115
374 1 . 1 1 65 65 GLU H H 600 8.948 8.948 8.277 0.671 18115
375 1 . 1 1 66 66 GLN N N 601 116.068 116.068 117.891 -1.823 18115
376 1 . 1 1 66 66 GLN HA H 601 3.951 3.951 4.074 -0.123 18115
377 1 . 1 1 66 66 GLN C C 601 178.277 178.277 178.263 0.014 18115
378 1 . 1 1 66 66 GLN CA C 601 58.526 58.526 58.277 0.249 18115
379 1 . 1 1 66 66 GLN CB C 601 28.622 28.622 28.681 -0.059 18115
380 1 . 1 1 66 66 GLN H H 601 8.109 8.109 7.866 0.243 18115
381 1 . 1 1 67 67 VAL N N 602 116.121 116.121 118.964 -2.843 18115
382 1 . 1 1 67 67 VAL HA H 602 3.805 3.805 3.933 -0.128 18115
383 1 . 1 1 67 67 VAL C C 602 177.423 177.423 177.134 0.288 18115
384 1 . 1 1 67 67 VAL CA C 602 65.105 65.105 64.587 0.518 18115
385 1 . 1 1 67 67 VAL CB C 602 33.177 33.177 32.067 1.110 18115
386 1 . 1 1 67 67 VAL H H 602 7.171 7.171 7.597 -0.426 18115
387 1 . 1 1 68 68 CYS N N 603 114.504 114.504 115.209 -0.705 18115
388 1 . 1 1 68 68 CYS HA H 603 3.998 3.998 4.334 -0.336 18115
389 1 . 1 1 68 68 CYS C C 603 176.503 176.503 176.480 0.023 18115
390 1 . 1 1 68 68 CYS CA C 603 63.325 63.325 59.946 3.379 18115
391 1 . 1 1 68 68 CYS CB C 603 28.665 28.665 27.688 0.977 18115
392 1 . 1 1 68 68 CYS H H 603 8.138 8.138 8.137 0.001 18115
393 1 . 1 1 69 69 ASN N N 604 119.915 119.915 121.582 -1.667 18115
394 1 . 1 1 69 69 ASN HA H 604 4.574 4.574 4.513 0.061 18115
395 1 . 1 1 69 69 ASN CA C 604 57.815 57.815 57.655 0.160 18115
396 1 . 1 1 69 69 ASN CB C 604 35.815 35.815 36.515 -0.700 18115
397 1 . 1 1 69 69 ASN H H 604 9.045 9.045 8.712 0.333 18115
398 1 . 1 1 70 70 PRO HA H 605 4.271 4.271 4.272 -0.001 18115
399 1 . 1 1 70 70 PRO C C 605 177.471 177.471 177.286 0.185 18115
400 1 . 1 1 70 70 PRO CA C 605 65.670 65.670 65.363 0.307 18115
401 1 . 1 1 70 70 PRO CB C 605 31.588 31.588 31.368 0.220 18115
402 1 . 1 1 71 71 ILE N N 606 115.752 115.752 114.261 1.491 18115
403 1 . 1 1 71 71 ILE HA H 606 3.818 3.818 4.054 -0.236 18115
404 1 . 1 1 71 71 ILE C C 606 177.032 177.032 177.864 -0.832 18115
405 1 . 1 1 71 71 ILE CA C 606 63.318 63.318 63.679 -0.361 18115
406 1 . 1 1 71 71 ILE CB C 606 39.624 39.624 38.366 1.258 18115
407 1 . 1 1 71 71 ILE H H 606 6.851 6.851 7.378 -0.527 18115
408 1 . 1 1 72 72 ILE N N 607 116.042 116.042 122.520 -6.478 18115
409 1 . 1 1 72 72 ILE HA H 607 4.006 4.006 3.782 0.224 18115
410 1 . 1 1 72 72 ILE C C 607 177.236 177.236 178.302 -1.066 18115
411 1 . 1 1 72 72 ILE CA C 607 61.726 61.726 63.953 -2.227 18115
412 1 . 1 1 72 72 ILE CB C 607 38.302 38.302 37.472 0.830 18115
413 1 . 1 1 72 72 ILE H H 607 8.032 8.032 8.780 -0.748 18115
414 1 . 1 1 73 73 SER N N 608 115.855 115.855 116.177 -0.322 18115
415 1 . 1 1 73 73 SER HA H 608 4.277 4.277 4.296 -0.019 18115
416 1 . 1 1 73 73 SER C C 608 175.111 175.111 175.639 -0.528 18115
417 1 . 1 1 73 73 SER CA C 608 60.134 60.134 60.839 -0.705 18115
418 1 . 1 1 73 73 SER CB C 608 63.480 63.480 63.002 0.478 18115
419 1 . 1 1 73 73 SER H H 608 8.001 8.001 8.420 -0.419 18115
420 1 . 1 1 74 74 GLY N N 609 109.991 109.991 108.210 1.781 18115
421 1 . 1 1 74 74 GLY C C 609 173.508 173.508 173.627 -0.119 18115
422 1 . 1 1 74 74 GLY CA C 609 45.315 45.315 44.878 0.437 18115
423 1 . 1 1 74 74 GLY H H 609 7.924 7.924 7.709 0.215 18115
stop_
save_