data_18490
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18490
_Entry.PDB_ID 2LTO
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 18490
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 LYS N N 554 126.040 126.040 123.296 2.744 18490
2 1 1 . 1 1 2 2 LYS H H 554 7.684 7.684 8.168 -0.484 18490
3 1 1 . 1 1 3 3 MET HA H 555 4.538 4.538 4.227 0.311 18490
4 1 1 . 1 1 3 3 MET CA C 555 51.252 51.252 55.751 -4.499 18490
5 1 1 . 1 1 3 3 MET CB C 555 28.816 28.816 31.449 -2.633 18490
6 1 1 . 1 1 4 4 TRP N N 556 124.579 124.579 121.083 3.496 18490
7 1 1 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.385 0.167 18490
8 1 1 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.759 -3.499 18490
9 1 1 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.067 -0.768 18490
10 1 1 . 1 1 4 4 TRP H H 556 7.686 7.686 7.846 -0.160 18490
11 1 1 . 1 1 5 5 LYS N N 557 120.748 120.748 121.636 -0.888 18490
12 1 1 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.768 -0.051 18490
13 1 1 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.718 -4.224 18490
14 1 1 . 1 1 5 5 LYS H H 557 8.983 8.983 8.587 0.396 18490
15 1 1 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.358 -0.601 18490
16 1 1 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.466 -2.494 18490
17 1 1 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.066 -3.485 18490
18 1 1 . 1 1 7 7 GLY N N 559 114.722 114.722 111.218 3.504 18490
19 1 1 . 1 1 7 7 GLY CA C 559 41.873 41.873 44.936 -3.063 18490
20 1 1 . 1 1 7 7 GLY H H 559 9.372 9.372 8.181 1.191 18490
21 1 1 . 1 1 8 8 ASP N N 560 121.253 121.253 120.880 0.373 18490
22 1 1 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.850 -0.328 18490
23 1 1 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.574 -0.383 18490
24 1 1 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.498 -4.269 18490
25 1 1 . 1 1 8 8 ASP H H 560 7.875 7.875 7.596 0.279 18490
26 1 1 . 1 1 9 9 GLU N N 561 121.105 121.105 123.591 -2.486 18490
27 1 1 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.099 0.723 18490
28 1 1 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.377 -4.320 18490
29 1 1 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.559 0.206 18490
30 1 1 . 1 1 9 9 GLU H H 561 8.543 8.543 8.741 -0.198 18490
31 1 1 . 1 1 10 10 CYS N N 562 115.944 115.944 121.310 -5.366 18490
32 1 1 . 1 1 10 10 CYS HA H 562 4.854 4.854 5.153 -0.299 18490
33 1 1 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.889 -4.240 18490
34 1 1 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.405 -2.622 18490
35 1 1 . 1 1 10 10 CYS H H 562 8.627 8.627 8.798 -0.171 18490
36 1 1 . 1 1 11 11 PHE N N 563 116.503 116.503 120.322 -3.819 18490
37 1 1 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.388 -0.339 18490
38 1 1 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.860 -1.719 18490
39 1 1 . 1 1 11 11 PHE CB C 563 39.077 39.077 42.440 -3.363 18490
40 1 1 . 1 1 11 11 PHE H H 563 8.936 8.936 8.875 0.061 18490
41 1 1 . 1 1 12 12 ALA N N 564 122.486 122.486 127.827 -5.341 18490
42 1 1 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.258 0.146 18490
43 1 1 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.015 -2.628 18490
44 1 1 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.843 -0.754 18490
45 1 1 . 1 1 12 12 ALA H H 564 9.195 9.195 9.385 -0.190 18490
46 1 1 . 1 1 13 13 LEU N N 565 123.611 123.611 128.145 -4.534 18490
47 1 1 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.439 -1.075 18490
48 1 1 . 1 1 13 13 LEU CA C 565 52.469 52.469 55.290 -2.821 18490
49 1 1 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.877 -0.688 18490
50 1 1 . 1 1 13 13 LEU H H 565 7.362 7.362 8.791 -1.429 18490
51 1 1 . 1 1 14 14 TYR N N 566 131.717 131.717 126.454 5.263 18490
52 1 1 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.486 0.323 18490
53 1 1 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.710 -5.214 18490
54 1 1 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.651 -6.802 18490
55 1 1 . 1 1 14 14 TYR H H 566 9.326 9.326 8.976 0.350 18490
56 1 1 . 1 1 15 15 TRP N N 567 128.045 128.045 120.325 7.720 18490
57 1 1 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.559 -0.624 18490
58 1 1 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.231 -2.454 18490
59 1 1 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.039 -3.618 18490
60 1 1 . 1 1 15 15 TRP H H 567 8.312 8.312 7.139 1.173 18490
61 1 1 . 1 1 16 16 GLU N N 568 116.959 116.959 120.980 -4.021 18490
62 1 1 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.948 -1.209 18490
63 1 1 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.281 -1.218 18490
64 1 1 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.559 -1.612 18490
65 1 1 . 1 1 16 16 GLU H H 568 3.785 3.785 7.070 -3.285 18490
66 1 1 . 1 1 17 17 ASP N N 569 111.935 111.935 116.799 -4.864 18490
67 1 1 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.506 -0.114 18490
68 1 1 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.135 -3.985 18490
69 1 1 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.175 -1.435 18490
70 1 1 . 1 1 17 17 ASP H H 569 6.511 6.511 7.989 -1.478 18490
71 1 1 . 1 1 18 18 ASN N N 570 116.485 116.485 118.026 -1.541 18490
72 1 1 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.477 -0.575 18490
73 1 1 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.451 -2.230 18490
74 1 1 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.958 -2.662 18490
75 1 1 . 1 1 18 18 ASN H H 570 8.091 8.091 8.379 -0.288 18490
76 1 1 . 1 1 19 19 LYS N N 571 116.593 116.593 120.048 -3.455 18490
77 1 1 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.398 -0.036 18490
78 1 1 . 1 1 19 19 LYS CA C 571 51.825 51.825 53.970 -2.145 18490
79 1 1 . 1 1 19 19 LYS CB C 571 32.236 32.236 35.776 -3.540 18490
80 1 1 . 1 1 19 19 LYS H H 571 7.514 7.514 7.898 -0.384 18490
81 1 1 . 1 1 20 20 PHE N N 572 118.347 118.347 120.855 -2.508 18490
82 1 1 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.910 -0.045 18490
83 1 1 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.065 -2.492 18490
84 1 1 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.514 -0.990 18490
85 1 1 . 1 1 20 20 PHE H H 572 8.267 8.267 8.425 -0.158 18490
86 1 1 . 1 1 21 21 TYR N N 573 117.867 117.867 121.073 -3.206 18490
87 1 1 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.177 -0.228 18490
88 1 1 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.410 -2.326 18490
89 1 1 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.782 -1.583 18490
90 1 1 . 1 1 21 21 TYR H H 573 8.726 8.726 9.306 -0.580 18490
91 1 1 . 1 1 22 22 ARG N N 574 122.076 122.076 121.516 0.560 18490
92 1 1 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.024 0.151 18490
93 1 1 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.329 -1.709 18490
94 1 1 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.693 -1.921 18490
95 1 1 . 1 1 22 22 ARG H H 574 9.110 9.110 8.935 0.175 18490
96 1 1 . 1 1 23 23 ALA N N 575 127.941 127.941 127.300 0.641 18490
97 1 1 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.931 0.083 18490
98 1 1 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.399 -1.911 18490
99 1 1 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.806 -2.113 18490
100 1 1 . 1 1 23 23 ALA H H 575 9.307 9.307 8.845 0.462 18490
101 1 1 . 1 1 24 24 GLU N N 576 118.347 118.347 123.384 -5.037 18490
102 1 1 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.402 0.571 18490
103 1 1 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.097 -3.904 18490
104 1 1 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.606 0.374 18490
105 1 1 . 1 1 24 24 GLU H H 576 8.267 8.267 8.570 -0.303 18490
106 1 1 . 1 1 25 25 VAL N N 577 124.034 124.034 126.406 -2.372 18490
107 1 1 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.575 -0.173 18490
108 1 1 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.487 -2.304 18490
109 1 1 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.462 -2.666 18490
110 1 1 . 1 1 25 25 VAL H H 577 8.840 8.840 8.203 0.637 18490
111 1 1 . 1 1 26 26 GLU N N 578 131.333 131.333 130.399 0.934 18490
112 1 1 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.372 0.104 18490
113 1 1 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.472 -2.271 18490
114 1 1 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.798 -3.829 18490
115 1 1 . 1 1 26 26 GLU H H 578 9.368 9.368 8.682 0.686 18490
116 1 1 . 1 1 27 27 ALA N N 579 117.488 117.488 121.806 -4.318 18490
117 1 1 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.729 -0.415 18490
118 1 1 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.184 -3.042 18490
119 1 1 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.324 -0.761 18490
120 1 1 . 1 1 27 27 ALA H H 579 7.681 7.681 7.744 -0.063 18490
121 1 1 . 1 1 28 28 LEU N N 580 122.399 122.399 125.525 -3.126 18490
122 1 1 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.664 -0.124 18490
123 1 1 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.536 -3.802 18490
124 1 1 . 1 1 28 28 LEU CB C 580 39.607 39.607 41.281 -1.674 18490
125 1 1 . 1 1 28 28 LEU H H 580 8.860 8.860 8.779 0.081 18490
126 1 1 . 1 1 29 29 HIS N N 581 123.783 123.783 112.156 11.627 18490
127 1 1 . 1 1 29 29 HIS H H 581 7.867 7.867 7.413 0.454 18490
128 1 1 . 1 1 30 30 SER N N 582 109.799 109.799 114.550 -4.751 18490
129 1 1 . 1 1 30 30 SER H H 582 7.731 7.731 7.952 -0.221 18490
130 1 1 . 1 1 31 31 SER HA H 583 4.191 4.191 4.614 -0.423 18490
131 1 1 . 1 1 31 31 SER CA C 583 57.135 57.135 58.391 -1.256 18490
132 1 1 . 1 1 31 31 SER CB C 583 61.202 61.202 63.619 -2.417 18490
133 1 1 . 1 1 32 32 GLY N N 584 108.532 108.532 111.935 -3.403 18490
134 1 1 . 1 1 32 32 GLY CA C 584 43.284 43.284 46.290 -3.006 18490
135 1 1 . 1 1 32 32 GLY H H 584 8.017 8.017 8.143 -0.126 18490
136 1 1 . 1 1 33 33 MET N N 585 113.817 113.817 123.434 -9.617 18490
137 1 1 . 1 1 33 33 MET HA H 585 4.637 4.637 4.492 0.145 18490
138 1 1 . 1 1 33 33 MET CA C 585 53.230 53.230 56.710 -3.480 18490
139 1 1 . 1 1 33 33 MET CB C 585 31.595 31.595 31.374 0.221 18490
140 1 1 . 1 1 33 33 MET H H 585 8.057 8.057 8.278 -0.221 18490
141 1 1 . 1 1 34 34 THR N N 586 107.993 107.993 110.580 -2.587 18490
142 1 1 . 1 1 34 34 THR HA H 586 3.936 3.936 4.862 -0.926 18490
143 1 1 . 1 1 34 34 THR CA C 586 55.762 55.762 60.323 -4.561 18490
144 1 1 . 1 1 34 34 THR CB C 586 70.532 70.532 71.875 -1.343 18490
145 1 1 . 1 1 34 34 THR H H 586 7.014 7.014 7.585 -0.571 18490
146 1 1 . 1 1 35 35 ALA N N 587 122.076 122.076 121.551 0.525 18490
147 1 1 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.623 0.173 18490
148 1 1 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.545 -3.813 18490
149 1 1 . 1 1 35 35 ALA CB C 587 19.913 19.913 21.924 -2.011 18490
150 1 1 . 1 1 35 35 ALA H H 587 9.110 9.110 8.413 0.697 18490
151 1 1 . 1 1 36 36 VAL N N 588 120.263 120.263 124.948 -4.685 18490
152 1 1 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.643 0.031 18490
153 1 1 . 1 1 36 36 VAL CA C 588 59.314 59.314 62.237 -2.923 18490
154 1 1 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.996 -3.051 18490
155 1 1 . 1 1 36 36 VAL H H 588 8.656 8.656 8.649 0.007 18490
156 1 1 . 1 1 37 37 VAL N N 589 120.768 120.768 120.918 -0.150 18490
157 1 1 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.445 0.428 18490
158 1 1 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.348 -4.377 18490
159 1 1 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.802 -3.218 18490
160 1 1 . 1 1 37 37 VAL H H 589 9.082 9.082 8.808 0.274 18490
161 1 1 . 1 1 38 38 LYS N N 590 121.105 121.105 125.273 -4.168 18490
162 1 1 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.838 -0.413 18490
163 1 1 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.456 -3.606 18490
164 1 1 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.697 -1.145 18490
165 1 1 . 1 1 38 38 LYS H H 590 8.534 8.534 8.430 0.104 18490
166 1 1 . 1 1 39 39 PHE N N 591 126.314 126.314 127.419 -1.105 18490
167 1 1 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.648 -0.323 18490
168 1 1 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.597 -1.408 18490
169 1 1 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.870 -2.170 18490
170 1 1 . 1 1 39 39 PHE H H 591 8.511 8.511 8.887 -0.376 18490
171 1 1 . 1 1 40 40 ILE N N 592 124.308 124.308 124.683 -0.375 18490
172 1 1 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.830 -0.355 18490
173 1 1 . 1 1 40 40 ILE CA C 592 61.510 61.510 64.126 -2.616 18490
174 1 1 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.283 -2.105 18490
175 1 1 . 1 1 40 40 ILE H H 592 7.677 7.677 8.137 -0.460 18490
176 1 1 . 1 1 41 41 ASP N N 593 119.217 119.217 118.394 0.823 18490
177 1 1 . 1 1 41 41 ASP H H 593 9.043 9.043 8.556 0.487 18490
178 1 1 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.655 0.028 18490
179 1 1 . 1 1 43 43 GLY N N 595 106.446 106.446 107.575 -1.129 18490
180 1 1 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.194 -2.058 18490
181 1 1 . 1 1 43 43 GLY H H 595 8.036 8.036 8.914 -0.878 18490
182 1 1 . 1 1 44 44 ASN N N 596 114.398 114.398 117.582 -3.184 18490
183 1 1 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.203 -0.531 18490
184 1 1 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.459 -1.196 18490
185 1 1 . 1 1 44 44 ASN CB C 596 35.429 35.429 39.943 -4.514 18490
186 1 1 . 1 1 44 44 ASN H H 596 8.520 8.520 8.217 0.303 18490
187 1 1 . 1 1 45 45 TYR N N 597 120.716 120.716 114.310 6.406 18490
188 1 1 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.728 -0.144 18490
189 1 1 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.090 -1.189 18490
190 1 1 . 1 1 45 45 TYR CB C 597 37.432 37.432 40.771 -3.339 18490
191 1 1 . 1 1 45 45 TYR H H 597 8.650 8.650 8.465 0.185 18490
192 1 1 . 1 1 46 46 GLU N N 598 118.075 118.075 119.477 -1.402 18490
193 1 1 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.717 0.151 18490
194 1 1 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.545 -3.335 18490
195 1 1 . 1 1 46 46 GLU CB C 598 32.241 32.241 33.114 -0.873 18490
196 1 1 . 1 1 46 46 GLU H H 598 8.822 8.822 8.817 0.005 18490
197 1 1 . 1 1 47 47 GLU N N 599 122.692 122.692 121.458 1.234 18490
198 1 1 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.740 0.275 18490
199 1 1 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.269 -3.422 18490
200 1 1 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.484 -2.632 18490
201 1 1 . 1 1 47 47 GLU H H 599 8.892 8.892 8.652 0.240 18490
202 1 1 . 1 1 48 48 VAL N N 600 125.296 125.296 121.750 3.546 18490
203 1 1 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.484 0.101 18490
204 1 1 . 1 1 48 48 VAL CA C 600 56.932 56.932 59.821 -2.889 18490
205 1 1 . 1 1 48 48 VAL CB C 600 33.645 33.645 35.776 -2.131 18490
206 1 1 . 1 1 48 48 VAL H H 600 9.280 9.280 8.822 0.458 18490
207 1 1 . 1 1 49 49 LEU N N 601 123.816 123.816 126.086 -2.270 18490
208 1 1 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.445 -0.096 18490
209 1 1 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.213 -3.588 18490
210 1 1 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.597 -2.763 18490
211 1 1 . 1 1 49 49 LEU H H 601 8.628 8.628 8.590 0.038 18490
212 1 1 . 1 1 50 50 LEU N N 602 123.131 123.131 127.641 -4.510 18490
213 1 1 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.151 -0.422 18490
214 1 1 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.823 -3.617 18490
215 1 1 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.867 -3.285 18490
216 1 1 . 1 1 50 50 LEU H H 602 8.183 8.183 8.730 -0.547 18490
217 1 1 . 1 1 51 51 SER N N 603 109.799 109.799 113.278 -3.479 18490
218 1 1 . 1 1 51 51 SER HA H 603 4.228 4.228 4.435 -0.207 18490
219 1 1 . 1 1 51 51 SER CA C 603 57.025 57.025 60.652 -3.627 18490
220 1 1 . 1 1 51 51 SER CB C 603 59.696 59.696 62.972 -3.276 18490
221 1 1 . 1 1 51 51 SER H H 603 7.731 7.731 8.693 -0.962 18490
222 1 1 . 1 1 52 52 ASN N N 604 120.726 120.726 117.119 3.607 18490
223 1 1 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.197 -0.063 18490
224 1 1 . 1 1 52 52 ASN CA C 604 49.901 49.901 52.779 -2.878 18490
225 1 1 . 1 1 52 52 ASN CB C 604 36.854 36.854 39.729 -2.875 18490
226 1 1 . 1 1 52 52 ASN H H 604 7.952 7.952 8.189 -0.237 18490
227 1 1 . 1 1 53 53 ILE N N 605 115.439 115.439 120.935 -5.496 18490
228 1 1 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.207 -0.196 18490
229 1 1 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.897 -3.136 18490
230 1 1 . 1 1 53 53 ILE CB C 605 37.464 37.464 40.152 -2.688 18490
231 1 1 . 1 1 53 53 ILE H H 605 7.162 7.162 7.813 -0.651 18490
232 1 1 . 1 1 54 54 LYS N N 606 122.864 122.864 126.796 -3.932 18490
233 1 1 . 1 1 54 54 LYS H H 606 9.245 9.245 9.340 -0.095 18490
234 1 1 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.904 -0.034 18490
235 1 1 . 1 1 55 55 PRO CA C 607 59.942 59.942 62.355 -2.413 18490
236 1 1 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.655 -2.675 18490
237 1 1 . 1 1 56 56 ILE N N 608 118.715 118.715 119.608 -0.893 18490
238 1 1 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.261 -0.351 18490
239 1 1 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.839 -3.934 18490
240 1 1 . 1 1 56 56 ILE CB C 608 34.964 34.964 37.919 -2.955 18490
241 1 1 . 1 1 56 56 ILE H H 608 8.363 8.363 8.676 -0.313 18490
242 1 1 . 1 1 57 57 LEU N N 609 124.451 124.451 117.734 6.717 18490
243 1 1 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.797 -0.546 18490
244 1 1 . 1 1 57 57 LEU CA C 609 52.007 52.007 53.923 -1.916 18490
245 1 1 . 1 1 57 57 LEU CB C 609 39.827 39.827 42.947 -3.120 18490
246 1 1 . 1 1 57 57 LEU H H 609 8.034 8.034 7.594 0.440 18490
247 1 2 . 1 1 2 2 LYS N N 554 126.040 126.040 120.547 5.493 18490
248 1 2 . 1 1 2 2 LYS H H 554 7.684 7.684 8.159 -0.475 18490
249 1 2 . 1 1 3 3 MET HA H 555 4.538 4.538 4.378 0.160 18490
250 1 2 . 1 1 3 3 MET CA C 555 51.252 51.252 55.193 -3.941 18490
251 1 2 . 1 1 3 3 MET CB C 555 28.816 28.816 33.529 -4.713 18490
252 1 2 . 1 1 4 4 TRP N N 556 124.579 124.579 122.418 2.161 18490
253 1 2 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.651 -0.099 18490
254 1 2 . 1 1 4 4 TRP CA C 556 54.260 54.260 56.908 -2.648 18490
255 1 2 . 1 1 4 4 TRP CB C 556 29.299 29.299 29.904 -0.605 18490
256 1 2 . 1 1 4 4 TRP H H 556 7.686 7.686 8.474 -0.788 18490
257 1 2 . 1 1 5 5 LYS N N 557 120.748 120.748 122.144 -1.396 18490
258 1 2 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.798 -0.081 18490
259 1 2 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.158 -3.664 18490
260 1 2 . 1 1 5 5 LYS H H 557 8.983 8.983 8.179 0.804 18490
261 1 2 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.334 -0.577 18490
262 1 2 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.272 -2.300 18490
263 1 2 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.155 -3.574 18490
264 1 2 . 1 1 7 7 GLY N N 559 114.722 114.722 109.008 5.714 18490
265 1 2 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.040 -3.167 18490
266 1 2 . 1 1 7 7 GLY H H 559 9.372 9.372 8.231 1.141 18490
267 1 2 . 1 1 8 8 ASP N N 560 121.253 121.253 120.907 0.346 18490
268 1 2 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.875 -0.353 18490
269 1 2 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.850 -0.659 18490
270 1 2 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.614 -4.385 18490
271 1 2 . 1 1 8 8 ASP H H 560 7.875 7.875 7.711 0.164 18490
272 1 2 . 1 1 9 9 GLU N N 561 121.105 121.105 123.621 -2.516 18490
273 1 2 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.312 0.510 18490
274 1 2 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.094 -4.037 18490
275 1 2 . 1 1 9 9 GLU CB C 561 28.765 28.765 29.101 -0.336 18490
276 1 2 . 1 1 9 9 GLU H H 561 8.543 8.543 8.709 -0.166 18490
277 1 2 . 1 1 10 10 CYS N N 562 115.944 115.944 122.142 -6.198 18490
278 1 2 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.659 0.195 18490
279 1 2 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.085 -4.436 18490
280 1 2 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.342 -2.559 18490
281 1 2 . 1 1 10 10 CYS H H 562 8.627 8.627 8.560 0.067 18490
282 1 2 . 1 1 11 11 PHE N N 563 116.503 116.503 119.901 -3.398 18490
283 1 2 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.197 -0.148 18490
284 1 2 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.121 -1.980 18490
285 1 2 . 1 1 11 11 PHE CB C 563 39.077 39.077 42.227 -3.150 18490
286 1 2 . 1 1 11 11 PHE H H 563 8.936 8.936 9.080 -0.144 18490
287 1 2 . 1 1 12 12 ALA N N 564 122.486 122.486 127.344 -4.858 18490
288 1 2 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.273 0.131 18490
289 1 2 . 1 1 12 12 ALA CA C 564 47.387 47.387 49.976 -2.589 18490
290 1 2 . 1 1 12 12 ALA CB C 564 21.089 21.089 22.398 -1.309 18490
291 1 2 . 1 1 12 12 ALA H H 564 9.195 9.195 9.521 -0.326 18490
292 1 2 . 1 1 13 13 LEU N N 565 123.611 123.611 124.382 -0.771 18490
293 1 2 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.435 -1.071 18490
294 1 2 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.506 -2.037 18490
295 1 2 . 1 1 13 13 LEU CB C 565 41.189 41.189 42.959 -1.770 18490
296 1 2 . 1 1 13 13 LEU H H 565 7.362 7.362 8.493 -1.131 18490
297 1 2 . 1 1 14 14 TYR N N 566 131.717 131.717 124.599 7.118 18490
298 1 2 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.686 0.123 18490
299 1 2 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.859 -5.363 18490
300 1 2 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.677 -6.828 18490
301 1 2 . 1 1 14 14 TYR H H 566 9.326 9.326 8.804 0.522 18490
302 1 2 . 1 1 15 15 TRP N N 567 128.045 128.045 117.241 10.804 18490
303 1 2 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.741 -0.806 18490
304 1 2 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.899 -2.122 18490
305 1 2 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.241 -3.820 18490
306 1 2 . 1 1 15 15 TRP H H 567 8.312 8.312 7.254 1.058 18490
307 1 2 . 1 1 16 16 GLU N N 568 116.959 116.959 122.665 -5.706 18490
308 1 2 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.679 -0.940 18490
309 1 2 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.617 -1.554 18490
310 1 2 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.794 -1.847 18490
311 1 2 . 1 1 16 16 GLU H H 568 3.785 3.785 6.580 -2.795 18490
312 1 2 . 1 1 17 17 ASP N N 569 111.935 111.935 115.641 -3.706 18490
313 1 2 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.484 -0.092 18490
314 1 2 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.538 -4.388 18490
315 1 2 . 1 1 17 17 ASP CB C 569 38.739 38.739 39.974 -1.235 18490
316 1 2 . 1 1 17 17 ASP H H 569 6.511 6.511 7.744 -1.233 18490
317 1 2 . 1 1 18 18 ASN N N 570 116.485 116.485 118.202 -1.717 18490
318 1 2 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.342 -0.440 18490
319 1 2 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.405 -2.184 18490
320 1 2 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.800 -2.504 18490
321 1 2 . 1 1 18 18 ASN H H 570 8.091 8.091 8.284 -0.193 18490
322 1 2 . 1 1 19 19 LYS N N 571 116.593 116.593 118.660 -2.067 18490
323 1 2 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.570 -0.208 18490
324 1 2 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.022 -2.197 18490
325 1 2 . 1 1 19 19 LYS CB C 571 32.236 32.236 35.107 -2.871 18490
326 1 2 . 1 1 19 19 LYS H H 571 7.514 7.514 7.656 -0.142 18490
327 1 2 . 1 1 20 20 PHE N N 572 118.347 118.347 120.715 -2.368 18490
328 1 2 . 1 1 20 20 PHE HA H 572 4.865 4.865 5.127 -0.262 18490
329 1 2 . 1 1 20 20 PHE CA C 572 55.573 55.573 57.765 -2.192 18490
330 1 2 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.501 -0.977 18490
331 1 2 . 1 1 20 20 PHE H H 572 8.267 8.267 8.621 -0.354 18490
332 1 2 . 1 1 21 21 TYR N N 573 117.867 117.867 123.624 -5.757 18490
333 1 2 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.126 -0.177 18490
334 1 2 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.755 -2.671 18490
335 1 2 . 1 1 21 21 TYR CB C 573 41.199 41.199 41.766 -0.567 18490
336 1 2 . 1 1 21 21 TYR H H 573 8.726 8.726 9.285 -0.559 18490
337 1 2 . 1 1 22 22 ARG N N 574 122.076 122.076 120.590 1.486 18490
338 1 2 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.194 -0.019 18490
339 1 2 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.061 -2.441 18490
340 1 2 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.343 -2.571 18490
341 1 2 . 1 1 22 22 ARG H H 574 9.110 9.110 8.947 0.163 18490
342 1 2 . 1 1 23 23 ALA N N 575 127.941 127.941 124.846 3.095 18490
343 1 2 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.737 0.277 18490
344 1 2 . 1 1 23 23 ALA CA C 575 48.488 48.488 51.380 -2.892 18490
345 1 2 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.704 -2.011 18490
346 1 2 . 1 1 23 23 ALA H H 575 9.307 9.307 8.845 0.462 18490
347 1 2 . 1 1 24 24 GLU N N 576 118.347 118.347 124.271 -5.924 18490
348 1 2 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.459 0.514 18490
349 1 2 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.860 -3.667 18490
350 1 2 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.508 0.472 18490
351 1 2 . 1 1 24 24 GLU H H 576 8.267 8.267 8.664 -0.397 18490
352 1 2 . 1 1 25 25 VAL N N 577 124.034 124.034 127.347 -3.313 18490
353 1 2 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.521 -0.119 18490
354 1 2 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.442 -2.258 18490
355 1 2 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.724 -1.927 18490
356 1 2 . 1 1 25 25 VAL H H 577 8.840 8.840 8.512 0.328 18490
357 1 2 . 1 1 26 26 GLU N N 578 131.333 131.333 130.886 0.447 18490
358 1 2 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.335 0.141 18490
359 1 2 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.355 -2.155 18490
360 1 2 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.569 -3.600 18490
361 1 2 . 1 1 26 26 GLU H H 578 9.368 9.368 8.647 0.721 18490
362 1 2 . 1 1 27 27 ALA N N 579 117.488 117.488 121.816 -4.328 18490
363 1 2 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.563 -0.249 18490
364 1 2 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.142 -3.000 18490
365 1 2 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.533 -0.970 18490
366 1 2 . 1 1 27 27 ALA H H 579 7.681 7.681 7.847 -0.166 18490
367 1 2 . 1 1 28 28 LEU N N 580 122.399 122.399 125.214 -2.815 18490
368 1 2 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.716 -0.176 18490
369 1 2 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.380 -3.646 18490
370 1 2 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.551 -0.944 18490
371 1 2 . 1 1 28 28 LEU H H 580 8.860 8.860 8.673 0.187 18490
372 1 2 . 1 1 29 29 HIS N N 581 123.783 123.783 119.336 4.447 18490
373 1 2 . 1 1 29 29 HIS H H 581 7.867 7.867 7.966 -0.099 18490
374 1 2 . 1 1 30 30 SER N N 582 109.799 109.799 115.367 -5.568 18490
375 1 2 . 1 1 30 30 SER H H 582 7.731 7.731 8.390 -0.659 18490
376 1 2 . 1 1 31 31 SER HA H 583 4.191 4.191 4.625 -0.434 18490
377 1 2 . 1 1 31 31 SER CA C 583 57.135 57.135 57.514 -0.379 18490
378 1 2 . 1 1 31 31 SER CB C 583 61.202 61.202 65.184 -3.982 18490
379 1 2 . 1 1 32 32 GLY N N 584 108.532 108.532 109.032 -0.500 18490
380 1 2 . 1 1 32 32 GLY CA C 584 43.284 43.284 47.004 -3.720 18490
381 1 2 . 1 1 32 32 GLY H H 584 8.017 8.017 8.761 -0.744 18490
382 1 2 . 1 1 33 33 MET N N 585 113.817 113.817 115.697 -1.880 18490
383 1 2 . 1 1 33 33 MET HA H 585 4.637 4.637 4.688 -0.051 18490
384 1 2 . 1 1 33 33 MET CA C 585 53.230 53.230 55.521 -2.291 18490
385 1 2 . 1 1 33 33 MET CB C 585 31.595 31.595 33.789 -2.194 18490
386 1 2 . 1 1 33 33 MET H H 585 8.057 8.057 7.746 0.311 18490
387 1 2 . 1 1 34 34 THR N N 586 107.993 107.993 110.745 -2.752 18490
388 1 2 . 1 1 34 34 THR HA H 586 3.936 3.936 5.018 -1.082 18490
389 1 2 . 1 1 34 34 THR CA C 586 55.762 55.762 59.593 -3.831 18490
390 1 2 . 1 1 34 34 THR CB C 586 70.532 70.532 71.345 -0.813 18490
391 1 2 . 1 1 34 34 THR H H 586 7.014 7.014 7.402 -0.388 18490
392 1 2 . 1 1 35 35 ALA N N 587 122.076 122.076 122.550 -0.474 18490
393 1 2 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.846 -0.050 18490
394 1 2 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.435 -2.703 18490
395 1 2 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.313 -2.400 18490
396 1 2 . 1 1 35 35 ALA H H 587 9.110 9.110 8.934 0.176 18490
397 1 2 . 1 1 36 36 VAL N N 588 120.263 120.263 122.842 -2.579 18490
398 1 2 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.962 -0.288 18490
399 1 2 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.565 -2.251 18490
400 1 2 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.899 -2.954 18490
401 1 2 . 1 1 36 36 VAL H H 588 8.656 8.656 8.836 -0.180 18490
402 1 2 . 1 1 37 37 VAL N N 589 120.768 120.768 121.622 -0.854 18490
403 1 2 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.472 0.401 18490
404 1 2 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.209 -4.239 18490
405 1 2 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.053 -2.469 18490
406 1 2 . 1 1 37 37 VAL H H 589 9.082 9.082 8.913 0.169 18490
407 1 2 . 1 1 38 38 LYS N N 590 121.105 121.105 126.981 -5.876 18490
408 1 2 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.822 -0.397 18490
409 1 2 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.513 -3.663 18490
410 1 2 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.056 -0.505 18490
411 1 2 . 1 1 38 38 LYS H H 590 8.534 8.534 8.505 0.029 18490
412 1 2 . 1 1 39 39 PHE N N 591 126.314 126.314 127.511 -1.197 18490
413 1 2 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.510 -0.185 18490
414 1 2 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.308 -2.119 18490
415 1 2 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.759 -2.059 18490
416 1 2 . 1 1 39 39 PHE H H 591 8.511 8.511 8.256 0.255 18490
417 1 2 . 1 1 40 40 ILE N N 592 124.308 124.308 123.611 0.697 18490
418 1 2 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.868 -0.393 18490
419 1 2 . 1 1 40 40 ILE CA C 592 61.510 61.510 64.247 -2.737 18490
420 1 2 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.727 -2.549 18490
421 1 2 . 1 1 40 40 ILE H H 592 7.677 7.677 7.755 -0.078 18490
422 1 2 . 1 1 41 41 ASP N N 593 119.217 119.217 117.963 1.254 18490
423 1 2 . 1 1 41 41 ASP H H 593 9.043 9.043 8.551 0.492 18490
424 1 2 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.727 -0.044 18490
425 1 2 . 1 1 43 43 GLY N N 595 106.446 106.446 106.568 -0.122 18490
426 1 2 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.215 -2.079 18490
427 1 2 . 1 1 43 43 GLY H H 595 8.036 8.036 8.684 -0.648 18490
428 1 2 . 1 1 44 44 ASN N N 596 114.398 114.398 118.592 -4.194 18490
429 1 2 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.344 -0.672 18490
430 1 2 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.476 -1.213 18490
431 1 2 . 1 1 44 44 ASN CB C 596 35.429 35.429 41.509 -6.080 18490
432 1 2 . 1 1 44 44 ASN H H 596 8.520 8.520 8.325 0.195 18490
433 1 2 . 1 1 45 45 TYR N N 597 120.716 120.716 115.272 5.444 18490
434 1 2 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.658 -0.074 18490
435 1 2 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.945 -2.044 18490
436 1 2 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.238 -3.806 18490
437 1 2 . 1 1 45 45 TYR H H 597 8.650 8.650 8.350 0.300 18490
438 1 2 . 1 1 46 46 GLU N N 598 118.075 118.075 119.043 -0.968 18490
439 1 2 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.776 0.092 18490
440 1 2 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.797 -3.587 18490
441 1 2 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.933 -0.692 18490
442 1 2 . 1 1 46 46 GLU H H 598 8.822 8.822 8.736 0.086 18490
443 1 2 . 1 1 47 47 GLU N N 599 122.692 122.692 120.330 2.362 18490
444 1 2 . 1 1 47 47 GLU HA H 599 5.015 5.015 5.280 -0.265 18490
445 1 2 . 1 1 47 47 GLU CA C 599 52.847 52.847 55.221 -2.374 18490
446 1 2 . 1 1 47 47 GLU CB C 599 27.852 27.852 31.363 -3.511 18490
447 1 2 . 1 1 47 47 GLU H H 599 8.892 8.892 8.601 0.291 18490
448 1 2 . 1 1 48 48 VAL N N 600 125.296 125.296 120.947 4.349 18490
449 1 2 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.418 0.167 18490
450 1 2 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.369 -3.437 18490
451 1 2 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.530 -2.885 18490
452 1 2 . 1 1 48 48 VAL H H 600 9.280 9.280 8.645 0.635 18490
453 1 2 . 1 1 49 49 LEU N N 601 123.816 123.816 124.992 -1.176 18490
454 1 2 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.432 -0.083 18490
455 1 2 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.198 -3.573 18490
456 1 2 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.350 -2.516 18490
457 1 2 . 1 1 49 49 LEU H H 601 8.628 8.628 8.797 -0.169 18490
458 1 2 . 1 1 50 50 LEU N N 602 123.131 123.131 127.610 -4.479 18490
459 1 2 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.042 -0.313 18490
460 1 2 . 1 1 50 50 LEU CA C 602 55.206 55.206 59.366 -4.160 18490
461 1 2 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.754 -3.172 18490
462 1 2 . 1 1 50 50 LEU H H 602 8.183 8.183 8.227 -0.044 18490
463 1 2 . 1 1 51 51 SER N N 603 109.799 109.799 109.611 0.188 18490
464 1 2 . 1 1 51 51 SER HA H 603 4.228 4.228 4.485 -0.257 18490
465 1 2 . 1 1 51 51 SER CA C 603 57.025 57.025 59.452 -2.426 18490
466 1 2 . 1 1 51 51 SER CB C 603 59.696 59.696 62.432 -2.736 18490
467 1 2 . 1 1 51 51 SER H H 603 7.731 7.731 8.523 -0.792 18490
468 1 2 . 1 1 52 52 ASN N N 604 120.726 120.726 119.529 1.197 18490
469 1 2 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.150 -0.016 18490
470 1 2 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.034 -3.133 18490
471 1 2 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.190 -3.336 18490
472 1 2 . 1 1 52 52 ASN H H 604 7.952 7.952 8.191 -0.239 18490
473 1 2 . 1 1 53 53 ILE N N 605 115.439 115.439 120.392 -4.953 18490
474 1 2 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.088 -0.077 18490
475 1 2 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.730 -2.969 18490
476 1 2 . 1 1 53 53 ILE CB C 605 37.464 37.464 40.913 -3.449 18490
477 1 2 . 1 1 53 53 ILE H H 605 7.162 7.162 7.731 -0.569 18490
478 1 2 . 1 1 54 54 LYS N N 606 122.864 122.864 127.349 -4.485 18490
479 1 2 . 1 1 54 54 LYS H H 606 9.245 9.245 9.562 -0.317 18490
480 1 2 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.857 0.013 18490
481 1 2 . 1 1 55 55 PRO CA C 607 59.942 59.942 62.938 -2.996 18490
482 1 2 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.694 -2.714 18490
483 1 2 . 1 1 56 56 ILE N N 608 118.715 118.715 119.792 -1.077 18490
484 1 2 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.225 -0.315 18490
485 1 2 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.828 -3.923 18490
486 1 2 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.803 -3.839 18490
487 1 2 . 1 1 56 56 ILE H H 608 8.363 8.363 8.831 -0.468 18490
488 1 2 . 1 1 57 57 LEU N N 609 124.451 124.451 115.914 8.537 18490
489 1 2 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.829 -0.578 18490
490 1 2 . 1 1 57 57 LEU CA C 609 52.007 52.007 53.977 -1.970 18490
491 1 2 . 1 1 57 57 LEU CB C 609 39.827 39.827 43.531 -3.704 18490
492 1 2 . 1 1 57 57 LEU H H 609 8.034 8.034 7.620 0.414 18490
493 1 3 . 1 1 2 2 LYS N N 554 126.040 126.040 120.992 5.048 18490
494 1 3 . 1 1 2 2 LYS H H 554 7.684 7.684 8.345 -0.661 18490
495 1 3 . 1 1 3 3 MET HA H 555 4.538 4.538 4.204 0.334 18490
496 1 3 . 1 1 3 3 MET CA C 555 51.252 51.252 54.514 -3.262 18490
497 1 3 . 1 1 3 3 MET CB C 555 28.816 28.816 30.866 -2.050 18490
498 1 3 . 1 1 4 4 TRP N N 556 124.579 124.579 127.438 -2.859 18490
499 1 3 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.481 0.071 18490
500 1 3 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.240 -2.980 18490
501 1 3 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.221 -0.922 18490
502 1 3 . 1 1 4 4 TRP H H 556 7.686 7.686 8.242 -0.556 18490
503 1 3 . 1 1 5 5 LYS N N 557 120.748 120.748 121.888 -1.140 18490
504 1 3 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.837 -0.119 18490
505 1 3 . 1 1 5 5 LYS CA C 557 50.494 50.494 53.979 -3.485 18490
506 1 3 . 1 1 5 5 LYS H H 557 8.983 8.983 8.278 0.705 18490
507 1 3 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.260 -0.503 18490
508 1 3 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.585 -2.613 18490
509 1 3 . 1 1 6 6 PRO CB C 558 28.581 28.581 31.905 -3.324 18490
510 1 3 . 1 1 7 7 GLY N N 559 114.722 114.722 110.601 4.121 18490
511 1 3 . 1 1 7 7 GLY CA C 559 41.873 41.873 44.886 -3.013 18490
512 1 3 . 1 1 7 7 GLY H H 559 9.372 9.372 8.337 1.035 18490
513 1 3 . 1 1 8 8 ASP N N 560 121.253 121.253 120.746 0.507 18490
514 1 3 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.884 -0.362 18490
515 1 3 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.140 0.051 18490
516 1 3 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.333 -4.104 18490
517 1 3 . 1 1 8 8 ASP H H 560 7.875 7.875 7.608 0.267 18490
518 1 3 . 1 1 9 9 GLU N N 561 121.105 121.105 123.603 -2.498 18490
519 1 3 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.397 0.425 18490
520 1 3 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.824 -3.767 18490
521 1 3 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.227 0.538 18490
522 1 3 . 1 1 9 9 GLU H H 561 8.543 8.543 8.603 -0.060 18490
523 1 3 . 1 1 10 10 CYS N N 562 115.944 115.944 121.474 -5.530 18490
524 1 3 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.595 0.259 18490
525 1 3 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.821 -4.172 18490
526 1 3 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.328 -2.545 18490
527 1 3 . 1 1 10 10 CYS H H 562 8.627 8.627 8.659 -0.031 18490
528 1 3 . 1 1 11 11 PHE N N 563 116.503 116.503 120.075 -3.572 18490
529 1 3 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.071 -0.022 18490
530 1 3 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.869 -1.728 18490
531 1 3 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.617 -2.540 18490
532 1 3 . 1 1 11 11 PHE H H 563 8.936 8.936 9.066 -0.130 18490
533 1 3 . 1 1 12 12 ALA N N 564 122.486 122.486 128.077 -5.591 18490
534 1 3 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.291 0.113 18490
535 1 3 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.068 -2.681 18490
536 1 3 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.735 -0.646 18490
537 1 3 . 1 1 12 12 ALA H H 564 9.195 9.195 9.573 -0.378 18490
538 1 3 . 1 1 13 13 LEU N N 565 123.611 123.611 127.939 -4.328 18490
539 1 3 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.326 -0.962 18490
540 1 3 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.882 -2.413 18490
541 1 3 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.881 -0.692 18490
542 1 3 . 1 1 13 13 LEU H H 565 7.362 7.362 8.723 -1.361 18490
543 1 3 . 1 1 14 14 TYR N N 566 131.717 131.717 127.923 3.794 18490
544 1 3 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.432 0.377 18490
545 1 3 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.352 -5.856 18490
546 1 3 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.133 -6.284 18490
547 1 3 . 1 1 14 14 TYR H H 566 9.326 9.326 8.750 0.576 18490
548 1 3 . 1 1 15 15 TRP N N 567 128.045 128.045 119.628 8.417 18490
549 1 3 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.630 -0.695 18490
550 1 3 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.417 -2.640 18490
551 1 3 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.053 -3.632 18490
552 1 3 . 1 1 15 15 TRP H H 567 8.312 8.312 7.484 0.828 18490
553 1 3 . 1 1 16 16 GLU N N 568 116.959 116.959 122.878 -5.919 18490
554 1 3 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.570 -0.831 18490
555 1 3 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.691 -1.628 18490
556 1 3 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.591 -1.644 18490
557 1 3 . 1 1 16 16 GLU H H 568 3.785 3.785 6.491 -2.706 18490
558 1 3 . 1 1 17 17 ASP N N 569 111.935 111.935 114.396 -2.461 18490
559 1 3 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.514 -0.122 18490
560 1 3 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.382 -4.232 18490
561 1 3 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.461 -1.722 18490
562 1 3 . 1 1 17 17 ASP H H 569 6.511 6.511 8.001 -1.490 18490
563 1 3 . 1 1 18 18 ASN N N 570 116.485 116.485 117.653 -1.168 18490
564 1 3 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.477 -0.575 18490
565 1 3 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.264 -2.043 18490
566 1 3 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.854 -2.558 18490
567 1 3 . 1 1 18 18 ASN H H 570 8.091 8.091 8.274 -0.183 18490
568 1 3 . 1 1 19 19 LYS N N 571 116.593 116.593 118.833 -2.240 18490
569 1 3 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.414 -0.052 18490
570 1 3 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.030 -2.205 18490
571 1 3 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.795 -2.559 18490
572 1 3 . 1 1 19 19 LYS H H 571 7.514 7.514 7.885 -0.371 18490
573 1 3 . 1 1 20 20 PHE N N 572 118.347 118.347 120.235 -1.888 18490
574 1 3 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.759 0.106 18490
575 1 3 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.475 -2.902 18490
576 1 3 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.266 -0.742 18490
577 1 3 . 1 1 20 20 PHE H H 572 8.267 8.267 8.496 -0.229 18490
578 1 3 . 1 1 21 21 TYR N N 573 117.867 117.867 123.440 -5.573 18490
579 1 3 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.111 -0.162 18490
580 1 3 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.477 -2.393 18490
581 1 3 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.992 -1.793 18490
582 1 3 . 1 1 21 21 TYR H H 573 8.726 8.726 8.998 -0.272 18490
583 1 3 . 1 1 22 22 ARG N N 574 122.076 122.076 121.568 0.508 18490
584 1 3 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.408 -0.233 18490
585 1 3 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.250 -1.630 18490
586 1 3 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.110 -2.338 18490
587 1 3 . 1 1 22 22 ARG H H 574 9.110 9.110 9.085 0.025 18490
588 1 3 . 1 1 23 23 ALA N N 575 127.941 127.941 125.623 2.318 18490
589 1 3 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.722 0.292 18490
590 1 3 . 1 1 23 23 ALA CA C 575 48.488 48.488 51.079 -2.591 18490
591 1 3 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.734 -2.041 18490
592 1 3 . 1 1 23 23 ALA H H 575 9.307 9.307 8.971 0.336 18490
593 1 3 . 1 1 24 24 GLU N N 576 118.347 118.347 124.224 -5.877 18490
594 1 3 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.426 0.547 18490
595 1 3 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.661 -3.468 18490
596 1 3 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.302 0.678 18490
597 1 3 . 1 1 24 24 GLU H H 576 8.267 8.267 8.530 -0.263 18490
598 1 3 . 1 1 25 25 VAL N N 577 124.034 124.034 127.420 -3.386 18490
599 1 3 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.422 -0.020 18490
600 1 3 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.718 -2.534 18490
601 1 3 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.832 -2.036 18490
602 1 3 . 1 1 25 25 VAL H H 577 8.840 8.840 8.256 0.584 18490
603 1 3 . 1 1 26 26 GLU N N 578 131.333 131.333 130.629 0.704 18490
604 1 3 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.359 0.117 18490
605 1 3 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.170 -1.969 18490
606 1 3 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.411 -3.442 18490
607 1 3 . 1 1 26 26 GLU H H 578 9.368 9.368 8.756 0.612 18490
608 1 3 . 1 1 27 27 ALA N N 579 117.488 117.488 121.930 -4.442 18490
609 1 3 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.489 -0.175 18490
610 1 3 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.289 -3.147 18490
611 1 3 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.306 -0.743 18490
612 1 3 . 1 1 27 27 ALA H H 579 7.681 7.681 8.029 -0.348 18490
613 1 3 . 1 1 28 28 LEU N N 580 122.399 122.399 124.374 -1.975 18490
614 1 3 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.744 -0.204 18490
615 1 3 . 1 1 28 28 LEU CA C 580 50.734 50.734 53.932 -3.198 18490
616 1 3 . 1 1 28 28 LEU CB C 580 39.607 39.607 44.166 -4.559 18490
617 1 3 . 1 1 28 28 LEU H H 580 8.860 8.860 8.279 0.581 18490
618 1 3 . 1 1 29 29 HIS N N 581 123.783 123.783 119.224 4.559 18490
619 1 3 . 1 1 29 29 HIS H H 581 7.867 7.867 9.179 -1.312 18490
620 1 3 . 1 1 30 30 SER N N 582 109.799 109.799 113.564 -3.765 18490
621 1 3 . 1 1 30 30 SER H H 582 7.731 7.731 8.771 -1.040 18490
622 1 3 . 1 1 31 31 SER HA H 583 4.191 4.191 4.528 -0.337 18490
623 1 3 . 1 1 31 31 SER CA C 583 57.135 57.135 58.561 -1.426 18490
624 1 3 . 1 1 31 31 SER CB C 583 61.202 61.202 63.776 -2.574 18490
625 1 3 . 1 1 32 32 GLY N N 584 108.532 108.532 110.327 -1.795 18490
626 1 3 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.676 -2.392 18490
627 1 3 . 1 1 32 32 GLY H H 584 8.017 8.017 7.650 0.367 18490
628 1 3 . 1 1 33 33 MET N N 585 113.817 113.817 117.941 -4.124 18490
629 1 3 . 1 1 33 33 MET HA H 585 4.637 4.637 4.463 0.174 18490
630 1 3 . 1 1 33 33 MET CA C 585 53.230 53.230 57.555 -4.325 18490
631 1 3 . 1 1 33 33 MET CB C 585 31.595 31.595 32.084 -0.489 18490
632 1 3 . 1 1 33 33 MET H H 585 8.057 8.057 8.521 -0.464 18490
633 1 3 . 1 1 34 34 THR N N 586 107.993 107.993 110.069 -2.076 18490
634 1 3 . 1 1 34 34 THR HA H 586 3.936 3.936 5.035 -1.099 18490
635 1 3 . 1 1 34 34 THR CA C 586 55.762 55.762 60.097 -4.335 18490
636 1 3 . 1 1 34 34 THR CB C 586 70.532 70.532 71.532 -1.000 18490
637 1 3 . 1 1 34 34 THR H H 586 7.014 7.014 7.376 -0.362 18490
638 1 3 . 1 1 35 35 ALA N N 587 122.076 122.076 121.489 0.587 18490
639 1 3 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.876 -0.080 18490
640 1 3 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.042 -3.310 18490
641 1 3 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.320 -2.407 18490
642 1 3 . 1 1 35 35 ALA H H 587 9.110 9.110 8.894 0.216 18490
643 1 3 . 1 1 36 36 VAL N N 588 120.263 120.263 123.431 -3.168 18490
644 1 3 . 1 1 36 36 VAL HA H 588 4.674 4.674 5.114 -0.440 18490
645 1 3 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.130 -1.816 18490
646 1 3 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.356 -2.411 18490
647 1 3 . 1 1 36 36 VAL H H 588 8.656 8.656 8.543 0.113 18490
648 1 3 . 1 1 37 37 VAL N N 589 120.768 120.768 121.945 -1.177 18490
649 1 3 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.562 0.311 18490
650 1 3 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.654 -4.684 18490
651 1 3 . 1 1 37 37 VAL CB C 589 31.584 31.584 35.318 -3.734 18490
652 1 3 . 1 1 37 37 VAL H H 589 9.082 9.082 8.848 0.234 18490
653 1 3 . 1 1 38 38 LYS N N 590 121.105 121.105 125.449 -4.344 18490
654 1 3 . 1 1 38 38 LYS HA H 590 4.425 4.425 5.081 -0.656 18490
655 1 3 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.407 -3.557 18490
656 1 3 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.984 -1.432 18490
657 1 3 . 1 1 38 38 LYS H H 590 8.534 8.534 8.457 0.077 18490
658 1 3 . 1 1 39 39 PHE N N 591 126.314 126.314 127.381 -1.067 18490
659 1 3 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.642 -0.317 18490
660 1 3 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.732 -1.543 18490
661 1 3 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.813 -3.113 18490
662 1 3 . 1 1 39 39 PHE H H 591 8.511 8.511 8.737 -0.226 18490
663 1 3 . 1 1 40 40 ILE N N 592 124.308 124.308 123.981 0.327 18490
664 1 3 . 1 1 40 40 ILE HA H 592 3.475 3.475 4.039 -0.564 18490
665 1 3 . 1 1 40 40 ILE CA C 592 61.510 61.510 62.925 -1.415 18490
666 1 3 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.136 -1.958 18490
667 1 3 . 1 1 40 40 ILE H H 592 7.677 7.677 8.252 -0.575 18490
668 1 3 . 1 1 41 41 ASP N N 593 119.217 119.217 118.796 0.421 18490
669 1 3 . 1 1 41 41 ASP H H 593 9.043 9.043 8.119 0.924 18490
670 1 3 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.654 0.029 18490
671 1 3 . 1 1 43 43 GLY N N 595 106.446 106.446 110.183 -3.737 18490
672 1 3 . 1 1 43 43 GLY CA C 595 43.136 43.136 46.157 -3.021 18490
673 1 3 . 1 1 43 43 GLY H H 595 8.036 8.036 8.724 -0.688 18490
674 1 3 . 1 1 44 44 ASN N N 596 114.398 114.398 115.808 -1.410 18490
675 1 3 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.185 -0.513 18490
676 1 3 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.473 -1.210 18490
677 1 3 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.343 -4.913 18490
678 1 3 . 1 1 44 44 ASN H H 596 8.520 8.520 8.253 0.267 18490
679 1 3 . 1 1 45 45 TYR N N 597 120.716 120.716 114.011 6.705 18490
680 1 3 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.776 -0.192 18490
681 1 3 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.609 -1.708 18490
682 1 3 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.211 -3.779 18490
683 1 3 . 1 1 45 45 TYR H H 597 8.650 8.650 8.299 0.351 18490
684 1 3 . 1 1 46 46 GLU N N 598 118.075 118.075 117.806 0.269 18490
685 1 3 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.724 0.144 18490
686 1 3 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.734 -3.524 18490
687 1 3 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.524 -0.283 18490
688 1 3 . 1 1 46 46 GLU H H 598 8.822 8.822 8.791 0.031 18490
689 1 3 . 1 1 47 47 GLU N N 599 122.692 122.692 120.149 2.543 18490
690 1 3 . 1 1 47 47 GLU HA H 599 5.015 5.015 5.080 -0.065 18490
691 1 3 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.748 -3.901 18490
692 1 3 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.613 -2.761 18490
693 1 3 . 1 1 47 47 GLU H H 599 8.892 8.892 8.606 0.286 18490
694 1 3 . 1 1 48 48 VAL N N 600 125.296 125.296 121.926 3.370 18490
695 1 3 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.517 0.068 18490
696 1 3 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.155 -3.223 18490
697 1 3 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.063 -2.418 18490
698 1 3 . 1 1 48 48 VAL H H 600 9.280 9.280 9.010 0.270 18490
699 1 3 . 1 1 49 49 LEU N N 601 123.816 123.816 123.335 0.481 18490
700 1 3 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.463 -0.114 18490
701 1 3 . 1 1 49 49 LEU CA C 601 52.625 52.625 55.851 -3.226 18490
702 1 3 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.632 -2.798 18490
703 1 3 . 1 1 49 49 LEU H H 601 8.628 8.628 8.695 -0.067 18490
704 1 3 . 1 1 50 50 LEU N N 602 123.131 123.131 126.103 -2.972 18490
705 1 3 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.117 -0.388 18490
706 1 3 . 1 1 50 50 LEU CA C 602 55.206 55.206 59.150 -3.944 18490
707 1 3 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.692 -3.110 18490
708 1 3 . 1 1 50 50 LEU H H 602 8.183 8.183 8.820 -0.637 18490
709 1 3 . 1 1 51 51 SER N N 603 109.799 109.799 111.562 -1.763 18490
710 1 3 . 1 1 51 51 SER HA H 603 4.228 4.228 4.446 -0.218 18490
711 1 3 . 1 1 51 51 SER CA C 603 57.025 57.025 60.045 -3.021 18490
712 1 3 . 1 1 51 51 SER CB C 603 59.696 59.696 62.604 -2.908 18490
713 1 3 . 1 1 51 51 SER H H 603 7.731 7.731 8.657 -0.926 18490
714 1 3 . 1 1 52 52 ASN N N 604 120.726 120.726 119.105 1.621 18490
715 1 3 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.197 -0.064 18490
716 1 3 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.196 -3.295 18490
717 1 3 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.802 -3.948 18490
718 1 3 . 1 1 52 52 ASN H H 604 7.952 7.952 7.981 -0.029 18490
719 1 3 . 1 1 53 53 ILE N N 605 115.439 115.439 121.270 -5.831 18490
720 1 3 . 1 1 53 53 ILE HA H 605 5.011 5.011 4.879 0.132 18490
721 1 3 . 1 1 53 53 ILE CA C 605 57.761 57.761 61.113 -3.352 18490
722 1 3 . 1 1 53 53 ILE CB C 605 37.464 37.464 38.895 -1.431 18490
723 1 3 . 1 1 53 53 ILE H H 605 7.162 7.162 7.747 -0.585 18490
724 1 3 . 1 1 54 54 LYS N N 606 122.864 122.864 127.174 -4.310 18490
725 1 3 . 1 1 54 54 LYS H H 606 9.245 9.245 9.333 -0.088 18490
726 1 3 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.835 0.035 18490
727 1 3 . 1 1 55 55 PRO CA C 607 59.942 59.942 62.735 -2.793 18490
728 1 3 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.792 -2.812 18490
729 1 3 . 1 1 56 56 ILE N N 608 118.715 118.715 118.558 0.157 18490
730 1 3 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.301 -0.391 18490
731 1 3 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.740 -3.835 18490
732 1 3 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.961 -3.997 18490
733 1 3 . 1 1 56 56 ILE H H 608 8.363 8.363 8.614 -0.251 18490
734 1 3 . 1 1 57 57 LEU N N 609 124.451 124.451 120.549 3.902 18490
735 1 3 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.642 -0.391 18490
736 1 3 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.827 -2.820 18490
737 1 3 . 1 1 57 57 LEU CB C 609 39.827 39.827 44.139 -4.312 18490
738 1 3 . 1 1 57 57 LEU H H 609 8.034 8.034 7.433 0.601 18490
739 1 4 . 1 1 2 2 LYS N N 554 126.040 126.040 121.090 4.950 18490
740 1 4 . 1 1 2 2 LYS H H 554 7.684 7.684 8.267 -0.583 18490
741 1 4 . 1 1 3 3 MET HA H 555 4.538 4.538 4.450 0.088 18490
742 1 4 . 1 1 3 3 MET CA C 555 51.252 51.252 55.122 -3.870 18490
743 1 4 . 1 1 3 3 MET CB C 555 28.816 28.816 33.501 -4.685 18490
744 1 4 . 1 1 4 4 TRP N N 556 124.579 124.579 122.962 1.617 18490
745 1 4 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.464 0.088 18490
746 1 4 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.789 -3.529 18490
747 1 4 . 1 1 4 4 TRP CB C 556 29.299 29.299 29.954 -0.655 18490
748 1 4 . 1 1 4 4 TRP H H 556 7.686 7.686 8.135 -0.449 18490
749 1 4 . 1 1 5 5 LYS N N 557 120.748 120.748 121.133 -0.385 18490
750 1 4 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.686 0.031 18490
751 1 4 . 1 1 5 5 LYS CA C 557 50.494 50.494 53.968 -3.474 18490
752 1 4 . 1 1 5 5 LYS H H 557 8.983 8.983 8.589 0.394 18490
753 1 4 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.213 -0.456 18490
754 1 4 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.046 -2.074 18490
755 1 4 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.054 -3.473 18490
756 1 4 . 1 1 7 7 GLY N N 559 114.722 114.722 110.444 4.278 18490
757 1 4 . 1 1 7 7 GLY CA C 559 41.873 41.873 44.856 -2.983 18490
758 1 4 . 1 1 7 7 GLY H H 559 9.372 9.372 8.330 1.042 18490
759 1 4 . 1 1 8 8 ASP N N 560 121.253 121.253 120.791 0.462 18490
760 1 4 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.865 -0.343 18490
761 1 4 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.706 -0.515 18490
762 1 4 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.518 -4.289 18490
763 1 4 . 1 1 8 8 ASP H H 560 7.875 7.875 7.601 0.274 18490
764 1 4 . 1 1 9 9 GLU N N 561 121.105 121.105 123.356 -2.251 18490
765 1 4 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.162 0.660 18490
766 1 4 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.415 -4.358 18490
767 1 4 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.508 0.257 18490
768 1 4 . 1 1 9 9 GLU H H 561 8.543 8.543 8.609 -0.066 18490
769 1 4 . 1 1 10 10 CYS N N 562 115.944 115.944 121.366 -5.422 18490
770 1 4 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.600 0.254 18490
771 1 4 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.679 -4.030 18490
772 1 4 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.407 -2.624 18490
773 1 4 . 1 1 10 10 CYS H H 562 8.627 8.627 8.763 -0.136 18490
774 1 4 . 1 1 11 11 PHE N N 563 116.503 116.503 120.619 -4.116 18490
775 1 4 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.333 -0.284 18490
776 1 4 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.735 -1.594 18490
777 1 4 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.684 -2.607 18490
778 1 4 . 1 1 11 11 PHE H H 563 8.936 8.936 8.988 -0.052 18490
779 1 4 . 1 1 12 12 ALA N N 564 122.486 122.486 128.217 -5.731 18490
780 1 4 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.180 0.224 18490
781 1 4 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.118 -2.731 18490
782 1 4 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.717 -0.628 18490
783 1 4 . 1 1 12 12 ALA H H 564 9.195 9.195 9.540 -0.345 18490
784 1 4 . 1 1 13 13 LEU N N 565 123.611 123.611 129.088 -5.477 18490
785 1 4 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.449 -1.085 18490
786 1 4 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.947 -2.478 18490
787 1 4 . 1 1 13 13 LEU CB C 565 41.189 41.189 40.965 0.224 18490
788 1 4 . 1 1 13 13 LEU H H 565 7.362 7.362 8.598 -1.236 18490
789 1 4 . 1 1 14 14 TYR N N 566 131.717 131.717 127.440 4.277 18490
790 1 4 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.448 0.361 18490
791 1 4 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.651 -6.155 18490
792 1 4 . 1 1 14 14 TYR CB C 566 34.849 34.849 40.667 -5.818 18490
793 1 4 . 1 1 14 14 TYR H H 566 9.326 9.326 8.640 0.686 18490
794 1 4 . 1 1 15 15 TRP N N 567 128.045 128.045 119.545 8.500 18490
795 1 4 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.783 -0.848 18490
796 1 4 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.772 -1.995 18490
797 1 4 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.350 -3.929 18490
798 1 4 . 1 1 15 15 TRP H H 567 8.312 8.312 7.194 1.118 18490
799 1 4 . 1 1 16 16 GLU N N 568 116.959 116.959 123.170 -6.211 18490
800 1 4 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.494 -0.755 18490
801 1 4 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.714 -1.651 18490
802 1 4 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.757 -1.810 18490
803 1 4 . 1 1 16 16 GLU H H 568 3.785 3.785 6.562 -2.777 18490
804 1 4 . 1 1 17 17 ASP N N 569 111.935 111.935 115.223 -3.288 18490
805 1 4 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.508 -0.116 18490
806 1 4 . 1 1 17 17 ASP CA C 569 49.150 49.150 52.799 -3.649 18490
807 1 4 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.178 -1.439 18490
808 1 4 . 1 1 17 17 ASP H H 569 6.511 6.511 8.024 -1.513 18490
809 1 4 . 1 1 18 18 ASN N N 570 116.485 116.485 116.861 -0.376 18490
810 1 4 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.490 -0.588 18490
811 1 4 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.230 -2.010 18490
812 1 4 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.517 -2.221 18490
813 1 4 . 1 1 18 18 ASN H H 570 8.091 8.091 8.337 -0.246 18490
814 1 4 . 1 1 19 19 LYS N N 571 116.593 116.593 117.873 -1.280 18490
815 1 4 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.285 0.077 18490
816 1 4 . 1 1 19 19 LYS CA C 571 51.825 51.825 53.973 -2.148 18490
817 1 4 . 1 1 19 19 LYS CB C 571 32.236 32.236 36.001 -3.765 18490
818 1 4 . 1 1 19 19 LYS H H 571 7.514 7.514 7.499 0.015 18490
819 1 4 . 1 1 20 20 PHE N N 572 118.347 118.347 119.089 -0.742 18490
820 1 4 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.792 0.073 18490
821 1 4 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.548 -2.975 18490
822 1 4 . 1 1 20 20 PHE CB C 572 38.524 38.524 40.039 -1.515 18490
823 1 4 . 1 1 20 20 PHE H H 572 8.267 8.267 8.199 0.068 18490
824 1 4 . 1 1 21 21 TYR N N 573 117.867 117.867 119.570 -1.703 18490
825 1 4 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.112 -0.163 18490
826 1 4 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.941 -2.857 18490
827 1 4 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.694 -1.495 18490
828 1 4 . 1 1 21 21 TYR H H 573 8.726 8.726 9.184 -0.458 18490
829 1 4 . 1 1 22 22 ARG N N 574 122.076 122.076 121.710 0.366 18490
830 1 4 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.161 0.014 18490
831 1 4 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.761 -2.141 18490
832 1 4 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.145 -2.373 18490
833 1 4 . 1 1 22 22 ARG H H 574 9.110 9.110 9.341 -0.231 18490
834 1 4 . 1 1 23 23 ALA N N 575 127.941 127.941 126.575 1.366 18490
835 1 4 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.993 0.021 18490
836 1 4 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.865 -2.377 18490
837 1 4 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.591 -1.898 18490
838 1 4 . 1 1 23 23 ALA H H 575 9.307 9.307 9.111 0.196 18490
839 1 4 . 1 1 24 24 GLU N N 576 118.347 118.347 125.409 -7.062 18490
840 1 4 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.318 0.655 18490
841 1 4 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.191 -3.998 18490
842 1 4 . 1 1 24 24 GLU CB C 576 30.980 30.980 29.873 1.107 18490
843 1 4 . 1 1 24 24 GLU H H 576 8.267 8.267 8.740 -0.473 18490
844 1 4 . 1 1 25 25 VAL N N 577 124.034 124.034 127.126 -3.092 18490
845 1 4 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.548 -0.146 18490
846 1 4 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.181 -1.997 18490
847 1 4 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.645 -1.849 18490
848 1 4 . 1 1 25 25 VAL H H 577 8.840 8.840 8.449 0.391 18490
849 1 4 . 1 1 26 26 GLU N N 578 131.333 131.333 131.037 0.296 18490
850 1 4 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.361 0.115 18490
851 1 4 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.345 -2.144 18490
852 1 4 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.441 -3.472 18490
853 1 4 . 1 1 26 26 GLU H H 578 9.368 9.368 8.775 0.593 18490
854 1 4 . 1 1 27 27 ALA N N 579 117.488 117.488 121.901 -4.413 18490
855 1 4 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.499 -0.185 18490
856 1 4 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.134 -2.992 18490
857 1 4 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.444 -0.881 18490
858 1 4 . 1 1 27 27 ALA H H 579 7.681 7.681 7.999 -0.318 18490
859 1 4 . 1 1 28 28 LEU N N 580 122.399 122.399 125.433 -3.034 18490
860 1 4 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.704 -0.164 18490
861 1 4 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.056 -3.322 18490
862 1 4 . 1 1 28 28 LEU CB C 580 39.607 39.607 42.023 -2.417 18490
863 1 4 . 1 1 28 28 LEU H H 580 8.860 8.860 8.483 0.377 18490
864 1 4 . 1 1 29 29 HIS N N 581 123.783 123.783 125.350 -1.567 18490
865 1 4 . 1 1 29 29 HIS H H 581 7.867 7.867 7.957 -0.090 18490
866 1 4 . 1 1 30 30 SER N N 582 109.799 109.799 116.213 -6.414 18490
867 1 4 . 1 1 30 30 SER H H 582 7.731 7.731 7.589 0.142 18490
868 1 4 . 1 1 31 31 SER HA H 583 4.191 4.191 4.312 -0.121 18490
869 1 4 . 1 1 31 31 SER CA C 583 57.135 57.135 60.064 -2.929 18490
870 1 4 . 1 1 31 31 SER CB C 583 61.202 61.202 63.171 -1.969 18490
871 1 4 . 1 1 32 32 GLY N N 584 108.532 108.532 107.185 1.347 18490
872 1 4 . 1 1 32 32 GLY CA C 584 43.284 43.284 46.342 -3.058 18490
873 1 4 . 1 1 32 32 GLY H H 584 8.017 8.017 7.960 0.057 18490
874 1 4 . 1 1 33 33 MET N N 585 113.817 113.817 113.056 0.761 18490
875 1 4 . 1 1 33 33 MET HA H 585 4.637 4.637 4.686 -0.049 18490
876 1 4 . 1 1 33 33 MET CA C 585 53.230 53.230 55.962 -2.732 18490
877 1 4 . 1 1 33 33 MET CB C 585 31.595 31.595 34.523 -2.928 18490
878 1 4 . 1 1 33 33 MET H H 585 8.057 8.057 7.923 0.134 18490
879 1 4 . 1 1 34 34 THR N N 586 107.993 107.993 111.389 -3.396 18490
880 1 4 . 1 1 34 34 THR HA H 586 3.936 3.936 5.215 -1.279 18490
881 1 4 . 1 1 34 34 THR CA C 586 55.762 55.762 60.373 -4.611 18490
882 1 4 . 1 1 34 34 THR CB C 586 70.532 70.532 72.335 -1.804 18490
883 1 4 . 1 1 34 34 THR H H 586 7.014 7.014 7.479 -0.466 18490
884 1 4 . 1 1 35 35 ALA N N 587 122.076 122.076 121.785 0.291 18490
885 1 4 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.987 -0.191 18490
886 1 4 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.127 -3.395 18490
887 1 4 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.333 -2.420 18490
888 1 4 . 1 1 35 35 ALA H H 587 9.110 9.110 8.576 0.534 18490
889 1 4 . 1 1 36 36 VAL N N 588 120.263 120.263 121.765 -1.502 18490
890 1 4 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.913 -0.239 18490
891 1 4 . 1 1 36 36 VAL CA C 588 59.314 59.314 60.661 -1.347 18490
892 1 4 . 1 1 36 36 VAL CB C 588 29.945 29.945 33.889 -3.945 18490
893 1 4 . 1 1 36 36 VAL H H 588 8.656 8.656 8.553 0.103 18490
894 1 4 . 1 1 37 37 VAL N N 589 120.768 120.768 121.182 -0.414 18490
895 1 4 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.666 0.207 18490
896 1 4 . 1 1 37 37 VAL CA C 589 54.971 54.971 60.061 -5.090 18490
897 1 4 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.853 -3.269 18490
898 1 4 . 1 1 37 37 VAL H H 589 9.082 9.082 8.259 0.823 18490
899 1 4 . 1 1 38 38 LYS N N 590 121.105 121.105 126.722 -5.617 18490
900 1 4 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.945 -0.520 18490
901 1 4 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.653 -3.803 18490
902 1 4 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.773 -1.221 18490
903 1 4 . 1 1 38 38 LYS H H 590 8.534 8.534 8.816 -0.282 18490
904 1 4 . 1 1 39 39 PHE N N 591 126.314 126.314 127.174 -0.860 18490
905 1 4 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.660 -0.335 18490
906 1 4 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.921 -1.732 18490
907 1 4 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.337 -2.637 18490
908 1 4 . 1 1 39 39 PHE H H 591 8.511 8.511 8.894 -0.383 18490
909 1 4 . 1 1 40 40 ILE N N 592 124.308 124.308 124.893 -0.585 18490
910 1 4 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.954 -0.479 18490
911 1 4 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.570 -2.060 18490
912 1 4 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.206 -2.028 18490
913 1 4 . 1 1 40 40 ILE H H 592 7.677 7.677 8.821 -1.144 18490
914 1 4 . 1 1 41 41 ASP N N 593 119.217 119.217 119.394 -0.177 18490
915 1 4 . 1 1 41 41 ASP H H 593 9.043 9.043 8.573 0.470 18490
916 1 4 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.668 0.015 18490
917 1 4 . 1 1 43 43 GLY N N 595 106.446 106.446 108.458 -2.012 18490
918 1 4 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.825 -2.689 18490
919 1 4 . 1 1 43 43 GLY H H 595 8.036 8.036 8.934 -0.898 18490
920 1 4 . 1 1 44 44 ASN N N 596 114.398 114.398 116.831 -2.433 18490
921 1 4 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.094 -0.422 18490
922 1 4 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.279 -1.016 18490
923 1 4 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.017 -4.588 18490
924 1 4 . 1 1 44 44 ASN H H 596 8.520 8.520 8.189 0.331 18490
925 1 4 . 1 1 45 45 TYR N N 597 120.716 120.716 113.456 7.260 18490
926 1 4 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.820 -0.236 18490
927 1 4 . 1 1 45 45 TYR CA C 597 53.901 53.901 56.041 -2.140 18490
928 1 4 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.659 -4.227 18490
929 1 4 . 1 1 45 45 TYR H H 597 8.650 8.650 8.038 0.612 18490
930 1 4 . 1 1 46 46 GLU N N 598 118.075 118.075 117.771 0.304 18490
931 1 4 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.651 0.217 18490
932 1 4 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.737 -3.527 18490
933 1 4 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.216 0.025 18490
934 1 4 . 1 1 46 46 GLU H H 598 8.822 8.822 8.642 0.180 18490
935 1 4 . 1 1 47 47 GLU N N 599 122.692 122.692 119.987 2.705 18490
936 1 4 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.990 0.025 18490
937 1 4 . 1 1 47 47 GLU CA C 599 52.847 52.847 57.492 -4.645 18490
938 1 4 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.294 -2.442 18490
939 1 4 . 1 1 47 47 GLU H H 599 8.892 8.892 8.586 0.306 18490
940 1 4 . 1 1 48 48 VAL N N 600 125.296 125.296 122.283 3.013 18490
941 1 4 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.417 0.168 18490
942 1 4 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.811 -3.879 18490
943 1 4 . 1 1 48 48 VAL CB C 600 33.645 33.645 35.755 -2.110 18490
944 1 4 . 1 1 48 48 VAL H H 600 9.280 9.280 8.783 0.497 18490
945 1 4 . 1 1 49 49 LEU N N 601 123.816 123.816 124.298 -0.482 18490
946 1 4 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.458 -0.109 18490
947 1 4 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.449 -3.824 18490
948 1 4 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.528 -2.694 18490
949 1 4 . 1 1 49 49 LEU H H 601 8.628 8.628 8.559 0.069 18490
950 1 4 . 1 1 50 50 LEU N N 602 123.131 123.131 126.080 -2.949 18490
951 1 4 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.172 -0.443 18490
952 1 4 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.795 -3.589 18490
953 1 4 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.746 -3.164 18490
954 1 4 . 1 1 50 50 LEU H H 602 8.183 8.183 9.074 -0.891 18490
955 1 4 . 1 1 51 51 SER N N 603 109.799 109.799 109.997 -0.198 18490
956 1 4 . 1 1 51 51 SER HA H 603 4.228 4.228 4.393 -0.165 18490
957 1 4 . 1 1 51 51 SER CA C 603 57.025 57.025 59.904 -2.879 18490
958 1 4 . 1 1 51 51 SER CB C 603 59.696 59.696 62.868 -3.172 18490
959 1 4 . 1 1 51 51 SER H H 603 7.731 7.731 8.671 -0.940 18490
960 1 4 . 1 1 52 52 ASN N N 604 120.726 120.726 117.618 3.108 18490
961 1 4 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.171 -0.037 18490
962 1 4 . 1 1 52 52 ASN CA C 604 49.901 49.901 52.855 -2.954 18490
963 1 4 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.695 -3.841 18490
964 1 4 . 1 1 52 52 ASN H H 604 7.952 7.952 7.696 0.256 18490
965 1 4 . 1 1 53 53 ILE N N 605 115.439 115.439 121.965 -6.526 18490
966 1 4 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.141 -0.130 18490
967 1 4 . 1 1 53 53 ILE CA C 605 57.761 57.761 61.057 -3.296 18490
968 1 4 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.616 -2.152 18490
969 1 4 . 1 1 53 53 ILE H H 605 7.162 7.162 7.583 -0.421 18490
970 1 4 . 1 1 54 54 LYS N N 606 122.864 122.864 127.424 -4.560 18490
971 1 4 . 1 1 54 54 LYS H H 606 9.245 9.245 9.129 0.116 18490
972 1 4 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.659 0.211 18490
973 1 4 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.729 -3.787 18490
974 1 4 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.520 -2.541 18490
975 1 4 . 1 1 56 56 ILE N N 608 118.715 118.715 120.500 -1.785 18490
976 1 4 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.218 -0.308 18490
977 1 4 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.791 -3.886 18490
978 1 4 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.922 -3.958 18490
979 1 4 . 1 1 56 56 ILE H H 608 8.363 8.363 9.011 -0.648 18490
980 1 4 . 1 1 57 57 LEU N N 609 124.451 124.451 117.301 7.150 18490
981 1 4 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.511 -0.260 18490
982 1 4 . 1 1 57 57 LEU CA C 609 52.007 52.007 55.507 -3.500 18490
983 1 4 . 1 1 57 57 LEU CB C 609 39.827 39.827 43.298 -3.471 18490
984 1 4 . 1 1 57 57 LEU H H 609 8.034 8.034 7.703 0.331 18490
985 1 5 . 1 1 2 2 LYS N N 554 126.040 126.040 125.601 0.439 18490
986 1 5 . 1 1 2 2 LYS H H 554 7.684 7.684 8.417 -0.733 18490
987 1 5 . 1 1 3 3 MET HA H 555 4.538 4.538 4.617 -0.079 18490
988 1 5 . 1 1 3 3 MET CA C 555 51.252 51.252 55.007 -3.755 18490
989 1 5 . 1 1 3 3 MET CB C 555 28.816 28.816 32.601 -3.785 18490
990 1 5 . 1 1 4 4 TRP N N 556 124.579 124.579 123.029 1.550 18490
991 1 5 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.636 -0.084 18490
992 1 5 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.409 -3.149 18490
993 1 5 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.178 -0.879 18490
994 1 5 . 1 1 4 4 TRP H H 556 7.686 7.686 8.011 -0.325 18490
995 1 5 . 1 1 5 5 LYS N N 557 120.748 120.748 122.472 -1.724 18490
996 1 5 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.738 -0.021 18490
997 1 5 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.112 -3.618 18490
998 1 5 . 1 1 5 5 LYS H H 557 8.983 8.983 8.452 0.531 18490
999 1 5 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.374 -0.617 18490
1000 1 5 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.197 -2.225 18490
1001 1 5 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.277 -3.696 18490
1002 1 5 . 1 1 7 7 GLY N N 559 114.722 114.722 110.302 4.420 18490
1003 1 5 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.038 -3.165 18490
1004 1 5 . 1 1 7 7 GLY H H 559 9.372 9.372 8.326 1.046 18490
1005 1 5 . 1 1 8 8 ASP N N 560 121.253 121.253 121.064 0.189 18490
1006 1 5 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.863 -0.341 18490
1007 1 5 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.400 -0.209 18490
1008 1 5 . 1 1 8 8 ASP CB C 560 39.229 39.229 42.673 -3.444 18490
1009 1 5 . 1 1 8 8 ASP H H 560 7.875 7.875 7.657 0.218 18490
1010 1 5 . 1 1 9 9 GLU N N 561 121.105 121.105 123.663 -2.558 18490
1011 1 5 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.306 0.516 18490
1012 1 5 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.911 -3.854 18490
1013 1 5 . 1 1 9 9 GLU CB C 561 28.765 28.765 27.988 0.777 18490
1014 1 5 . 1 1 9 9 GLU H H 561 8.543 8.543 8.674 -0.131 18490
1015 1 5 . 1 1 10 10 CYS N N 562 115.944 115.944 122.051 -6.107 18490
1016 1 5 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.546 0.308 18490
1017 1 5 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.495 -4.846 18490
1018 1 5 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.594 -2.811 18490
1019 1 5 . 1 1 10 10 CYS H H 562 8.627 8.627 8.812 -0.184 18490
1020 1 5 . 1 1 11 11 PHE N N 563 116.503 116.503 121.230 -4.727 18490
1021 1 5 . 1 1 11 11 PHE HA H 563 5.049 5.049 4.890 0.159 18490
1022 1 5 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.006 -1.865 18490
1023 1 5 . 1 1 11 11 PHE CB C 563 39.077 39.077 40.556 -1.479 18490
1024 1 5 . 1 1 11 11 PHE H H 563 8.936 8.936 9.277 -0.341 18490
1025 1 5 . 1 1 12 12 ALA N N 564 122.486 122.486 128.555 -6.069 18490
1026 1 5 . 1 1 12 12 ALA HA H 564 5.404 5.404 4.942 0.462 18490
1027 1 5 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.132 -2.745 18490
1028 1 5 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.204 -0.115 18490
1029 1 5 . 1 1 12 12 ALA H H 564 9.195 9.195 9.420 -0.225 18490
1030 1 5 . 1 1 13 13 LEU N N 565 123.611 123.611 128.383 -4.772 18490
1031 1 5 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.284 -0.920 18490
1032 1 5 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.697 -2.228 18490
1033 1 5 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.102 0.087 18490
1034 1 5 . 1 1 13 13 LEU H H 565 7.362 7.362 8.228 -0.866 18490
1035 1 5 . 1 1 14 14 TYR N N 566 131.717 131.717 127.763 3.954 18490
1036 1 5 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.410 0.399 18490
1037 1 5 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.789 -6.293 18490
1038 1 5 . 1 1 14 14 TYR CB C 566 34.849 34.849 40.688 -5.839 18490
1039 1 5 . 1 1 14 14 TYR H H 566 9.326 9.326 8.962 0.364 18490
1040 1 5 . 1 1 15 15 TRP N N 567 128.045 128.045 120.247 7.798 18490
1041 1 5 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.726 -0.791 18490
1042 1 5 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.152 -2.375 18490
1043 1 5 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.065 -3.644 18490
1044 1 5 . 1 1 15 15 TRP H H 567 8.312 8.312 7.598 0.714 18490
1045 1 5 . 1 1 16 16 GLU N N 568 116.959 116.959 123.064 -6.105 18490
1046 1 5 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.629 -0.890 18490
1047 1 5 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.746 -1.683 18490
1048 1 5 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.668 -1.721 18490
1049 1 5 . 1 1 16 16 GLU H H 568 3.785 3.785 6.505 -2.720 18490
1050 1 5 . 1 1 17 17 ASP N N 569 111.935 111.935 114.202 -2.267 18490
1051 1 5 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.511 -0.119 18490
1052 1 5 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.294 -4.144 18490
1053 1 5 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.180 -1.441 18490
1054 1 5 . 1 1 17 17 ASP H H 569 6.511 6.511 7.751 -1.240 18490
1055 1 5 . 1 1 18 18 ASN N N 570 116.485 116.485 117.890 -1.405 18490
1056 1 5 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.466 -0.564 18490
1057 1 5 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.353 -2.132 18490
1058 1 5 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.753 -2.457 18490
1059 1 5 . 1 1 18 18 ASN H H 570 8.091 8.091 8.114 -0.023 18490
1060 1 5 . 1 1 19 19 LYS N N 571 116.593 116.593 118.338 -1.745 18490
1061 1 5 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.580 -0.218 18490
1062 1 5 . 1 1 19 19 LYS CA C 571 51.825 51.825 53.721 -1.896 18490
1063 1 5 . 1 1 19 19 LYS CB C 571 32.236 32.236 35.422 -3.186 18490
1064 1 5 . 1 1 19 19 LYS H H 571 7.514 7.514 7.845 -0.331 18490
1065 1 5 . 1 1 20 20 PHE N N 572 118.347 118.347 120.834 -2.487 18490
1066 1 5 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.722 0.143 18490
1067 1 5 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.663 -3.090 18490
1068 1 5 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.317 -0.793 18490
1069 1 5 . 1 1 20 20 PHE H H 572 8.267 8.267 8.619 -0.352 18490
1070 1 5 . 1 1 21 21 TYR N N 573 117.867 117.867 121.615 -3.748 18490
1071 1 5 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.129 -0.180 18490
1072 1 5 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.764 -2.680 18490
1073 1 5 . 1 1 21 21 TYR CB C 573 41.199 41.199 43.002 -1.802 18490
1074 1 5 . 1 1 21 21 TYR H H 573 8.726 8.726 9.204 -0.478 18490
1075 1 5 . 1 1 22 22 ARG N N 574 122.076 122.076 123.106 -1.030 18490
1076 1 5 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.119 0.056 18490
1077 1 5 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.177 -2.557 18490
1078 1 5 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.473 -1.701 18490
1079 1 5 . 1 1 22 22 ARG H H 574 9.110 9.110 9.228 -0.118 18490
1080 1 5 . 1 1 23 23 ALA N N 575 127.941 127.941 126.838 1.103 18490
1081 1 5 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.943 0.071 18490
1082 1 5 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.378 -1.890 18490
1083 1 5 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.963 -2.271 18490
1084 1 5 . 1 1 23 23 ALA H H 575 9.307 9.307 9.179 0.128 18490
1085 1 5 . 1 1 24 24 GLU N N 576 118.347 118.347 124.536 -6.189 18490
1086 1 5 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.297 0.676 18490
1087 1 5 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.953 -3.760 18490
1088 1 5 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.368 0.612 18490
1089 1 5 . 1 1 24 24 GLU H H 576 8.267 8.267 8.515 -0.248 18490
1090 1 5 . 1 1 25 25 VAL N N 577 124.034 124.034 127.154 -3.120 18490
1091 1 5 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.497 -0.095 18490
1092 1 5 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.644 -2.460 18490
1093 1 5 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.206 -2.410 18490
1094 1 5 . 1 1 25 25 VAL H H 577 8.840 8.840 7.926 0.914 18490
1095 1 5 . 1 1 26 26 GLU N N 578 131.333 131.333 129.969 1.364 18490
1096 1 5 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.347 0.129 18490
1097 1 5 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.099 -1.897 18490
1098 1 5 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.463 -3.494 18490
1099 1 5 . 1 1 26 26 GLU H H 578 9.368 9.368 8.786 0.582 18490
1100 1 5 . 1 1 27 27 ALA N N 579 117.488 117.488 122.347 -4.859 18490
1101 1 5 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.636 -0.322 18490
1102 1 5 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.262 -3.120 18490
1103 1 5 . 1 1 27 27 ALA CB C 579 19.563 19.563 19.948 -0.385 18490
1104 1 5 . 1 1 27 27 ALA H H 579 7.681 7.681 7.947 -0.266 18490
1105 1 5 . 1 1 28 28 LEU N N 580 122.399 122.399 125.517 -3.118 18490
1106 1 5 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.687 -0.147 18490
1107 1 5 . 1 1 28 28 LEU CA C 580 50.734 50.734 53.053 -2.320 18490
1108 1 5 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.815 -1.208 18490
1109 1 5 . 1 1 28 28 LEU H H 580 8.860 8.860 8.446 0.414 18490
1110 1 5 . 1 1 29 29 HIS N N 581 123.783 123.783 122.197 1.586 18490
1111 1 5 . 1 1 29 29 HIS H H 581 7.867 7.867 8.070 -0.203 18490
1112 1 5 . 1 1 30 30 SER N N 582 109.799 109.799 115.617 -5.818 18490
1113 1 5 . 1 1 30 30 SER H H 582 7.731 7.731 8.609 -0.878 18490
1114 1 5 . 1 1 31 31 SER HA H 583 4.191 4.191 4.408 -0.217 18490
1115 1 5 . 1 1 31 31 SER CA C 583 57.135 57.135 58.876 -1.740 18490
1116 1 5 . 1 1 31 31 SER CB C 583 61.202 61.202 63.080 -1.878 18490
1117 1 5 . 1 1 32 32 GLY N N 584 108.532 108.532 109.142 -0.610 18490
1118 1 5 . 1 1 32 32 GLY CA C 584 43.284 43.284 44.811 -1.527 18490
1119 1 5 . 1 1 32 32 GLY H H 584 8.017 8.017 7.438 0.579 18490
1120 1 5 . 1 1 33 33 MET N N 585 113.817 113.817 117.732 -3.915 18490
1121 1 5 . 1 1 33 33 MET HA H 585 4.637 4.637 4.659 -0.022 18490
1122 1 5 . 1 1 33 33 MET CA C 585 53.230 53.230 56.132 -2.902 18490
1123 1 5 . 1 1 33 33 MET CB C 585 31.595 31.595 31.982 -0.387 18490
1124 1 5 . 1 1 33 33 MET H H 585 8.057 8.057 8.441 -0.384 18490
1125 1 5 . 1 1 34 34 THR N N 586 107.993 107.993 110.300 -2.307 18490
1126 1 5 . 1 1 34 34 THR HA H 586 3.936 3.936 4.815 -0.879 18490
1127 1 5 . 1 1 34 34 THR CA C 586 55.762 55.762 59.996 -4.234 18490
1128 1 5 . 1 1 34 34 THR CB C 586 70.532 70.532 71.197 -0.665 18490
1129 1 5 . 1 1 34 34 THR H H 586 7.014 7.014 7.580 -0.566 18490
1130 1 5 . 1 1 35 35 ALA N N 587 122.076 122.076 121.395 0.681 18490
1131 1 5 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.726 0.070 18490
1132 1 5 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.383 -3.651 18490
1133 1 5 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.283 -2.370 18490
1134 1 5 . 1 1 35 35 ALA H H 587 9.110 9.110 8.449 0.661 18490
1135 1 5 . 1 1 36 36 VAL N N 588 120.263 120.263 123.043 -2.780 18490
1136 1 5 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.779 -0.105 18490
1137 1 5 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.401 -2.087 18490
1138 1 5 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.838 -2.893 18490
1139 1 5 . 1 1 36 36 VAL H H 588 8.656 8.656 8.351 0.305 18490
1140 1 5 . 1 1 37 37 VAL N N 589 120.768 120.768 119.846 0.922 18490
1141 1 5 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.587 0.286 18490
1142 1 5 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.461 -4.490 18490
1143 1 5 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.636 -3.052 18490
1144 1 5 . 1 1 37 37 VAL H H 589 9.082 9.082 9.143 -0.061 18490
1145 1 5 . 1 1 38 38 LYS N N 590 121.105 121.105 126.062 -4.957 18490
1146 1 5 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.863 -0.438 18490
1147 1 5 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.604 -3.754 18490
1148 1 5 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.195 -0.643 18490
1149 1 5 . 1 1 38 38 LYS H H 590 8.534 8.534 8.207 0.327 18490
1150 1 5 . 1 1 39 39 PHE N N 591 126.314 126.314 127.210 -0.896 18490
1151 1 5 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.521 -0.196 18490
1152 1 5 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.871 -2.682 18490
1153 1 5 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.133 -2.433 18490
1154 1 5 . 1 1 39 39 PHE H H 591 8.511 8.511 8.421 0.090 18490
1155 1 5 . 1 1 40 40 ILE N N 592 124.308 124.308 123.557 0.751 18490
1156 1 5 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.903 -0.428 18490
1157 1 5 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.729 -2.219 18490
1158 1 5 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.580 -2.402 18490
1159 1 5 . 1 1 40 40 ILE H H 592 7.677 7.677 8.383 -0.706 18490
1160 1 5 . 1 1 41 41 ASP N N 593 119.217 119.217 118.329 0.888 18490
1161 1 5 . 1 1 41 41 ASP H H 593 9.043 9.043 8.445 0.598 18490
1162 1 5 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.671 0.012 18490
1163 1 5 . 1 1 43 43 GLY N N 595 106.446 106.446 110.357 -3.911 18490
1164 1 5 . 1 1 43 43 GLY CA C 595 43.136 43.136 46.304 -3.168 18490
1165 1 5 . 1 1 43 43 GLY H H 595 8.036 8.036 8.661 -0.625 18490
1166 1 5 . 1 1 44 44 ASN N N 596 114.398 114.398 115.442 -1.044 18490
1167 1 5 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.038 -0.366 18490
1168 1 5 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.739 -1.476 18490
1169 1 5 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.348 -4.919 18490
1170 1 5 . 1 1 44 44 ASN H H 596 8.520 8.520 7.725 0.795 18490
1171 1 5 . 1 1 45 45 TYR N N 597 120.716 120.716 113.815 6.901 18490
1172 1 5 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.815 -0.231 18490
1173 1 5 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.677 -1.776 18490
1174 1 5 . 1 1 45 45 TYR CB C 597 37.432 37.432 40.643 -3.211 18490
1175 1 5 . 1 1 45 45 TYR H H 597 8.650 8.650 8.330 0.320 18490
1176 1 5 . 1 1 46 46 GLU N N 598 118.075 118.075 120.175 -2.100 18490
1177 1 5 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.772 0.096 18490
1178 1 5 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.420 -3.210 18490
1179 1 5 . 1 1 46 46 GLU CB C 598 32.241 32.241 33.954 -1.713 18490
1180 1 5 . 1 1 46 46 GLU H H 598 8.822 8.822 8.817 0.005 18490
1181 1 5 . 1 1 47 47 GLU N N 599 122.692 122.692 121.379 1.313 18490
1182 1 5 . 1 1 47 47 GLU HA H 599 5.015 5.015 5.186 -0.171 18490
1183 1 5 . 1 1 47 47 GLU CA C 599 52.847 52.847 55.615 -2.768 18490
1184 1 5 . 1 1 47 47 GLU CB C 599 27.852 27.852 31.046 -3.194 18490
1185 1 5 . 1 1 47 47 GLU H H 599 8.892 8.892 8.628 0.264 18490
1186 1 5 . 1 1 48 48 VAL N N 600 125.296 125.296 121.272 4.024 18490
1187 1 5 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.436 0.149 18490
1188 1 5 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.500 -3.568 18490
1189 1 5 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.197 -2.552 18490
1190 1 5 . 1 1 48 48 VAL H H 600 9.280 9.280 8.815 0.465 18490
1191 1 5 . 1 1 49 49 LEU N N 601 123.816 123.816 124.897 -1.081 18490
1192 1 5 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.431 -0.082 18490
1193 1 5 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.041 -3.416 18490
1194 1 5 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.619 -2.785 18490
1195 1 5 . 1 1 49 49 LEU H H 601 8.628 8.628 8.630 -0.002 18490
1196 1 5 . 1 1 50 50 LEU N N 602 123.131 123.131 127.785 -4.654 18490
1197 1 5 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.149 -0.420 18490
1198 1 5 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.744 -3.538 18490
1199 1 5 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.877 -3.295 18490
1200 1 5 . 1 1 50 50 LEU H H 602 8.183 8.183 8.252 -0.069 18490
1201 1 5 . 1 1 51 51 SER N N 603 109.799 109.799 111.234 -1.435 18490
1202 1 5 . 1 1 51 51 SER HA H 603 4.228 4.228 4.450 -0.222 18490
1203 1 5 . 1 1 51 51 SER CA C 603 57.025 57.025 59.867 -2.842 18490
1204 1 5 . 1 1 51 51 SER CB C 603 59.696 59.696 62.584 -2.888 18490
1205 1 5 . 1 1 51 51 SER H H 603 7.731 7.731 8.533 -0.802 18490
1206 1 5 . 1 1 52 52 ASN N N 604 120.726 120.726 118.930 1.796 18490
1207 1 5 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.047 0.087 18490
1208 1 5 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.315 -3.414 18490
1209 1 5 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.544 -3.690 18490
1210 1 5 . 1 1 52 52 ASN H H 604 7.952 7.952 8.018 -0.066 18490
1211 1 5 . 1 1 53 53 ILE N N 605 115.439 115.439 121.682 -6.243 18490
1212 1 5 . 1 1 53 53 ILE HA H 605 5.011 5.011 4.642 0.369 18490
1213 1 5 . 1 1 53 53 ILE CA C 605 57.761 57.761 61.852 -4.091 18490
1214 1 5 . 1 1 53 53 ILE CB C 605 37.464 37.464 38.267 -0.803 18490
1215 1 5 . 1 1 53 53 ILE H H 605 7.162 7.162 7.568 -0.406 18490
1216 1 5 . 1 1 54 54 LYS N N 606 122.864 122.864 128.603 -5.739 18490
1217 1 5 . 1 1 54 54 LYS H H 606 9.245 9.245 9.438 -0.193 18490
1218 1 5 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.752 0.118 18490
1219 1 5 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.006 -3.064 18490
1220 1 5 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.387 -2.407 18490
1221 1 5 . 1 1 56 56 ILE N N 608 118.715 118.715 121.682 -2.967 18490
1222 1 5 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.135 -0.225 18490
1223 1 5 . 1 1 56 56 ILE CA C 608 58.905 58.905 63.391 -4.486 18490
1224 1 5 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.326 -3.362 18490
1225 1 5 . 1 1 56 56 ILE H H 608 8.363 8.363 8.866 -0.503 18490
1226 1 5 . 1 1 57 57 LEU N N 609 124.451 124.451 118.880 5.571 18490
1227 1 5 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.528 -0.277 18490
1228 1 5 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.861 -2.854 18490
1229 1 5 . 1 1 57 57 LEU CB C 609 39.827 39.827 44.907 -5.080 18490
1230 1 5 . 1 1 57 57 LEU H H 609 8.034 8.034 7.294 0.740 18490
1231 1 6 . 1 1 2 2 LYS N N 554 126.040 126.040 122.089 3.951 18490
1232 1 6 . 1 1 2 2 LYS H H 554 7.684 7.684 7.992 -0.308 18490
1233 1 6 . 1 1 3 3 MET HA H 555 4.538 4.538 4.296 0.242 18490
1234 1 6 . 1 1 3 3 MET CA C 555 51.252 51.252 55.990 -4.738 18490
1235 1 6 . 1 1 3 3 MET CB C 555 28.816 28.816 30.520 -1.704 18490
1236 1 6 . 1 1 4 4 TRP N N 556 124.579 124.579 121.026 3.553 18490
1237 1 6 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.498 0.054 18490
1238 1 6 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.740 -3.480 18490
1239 1 6 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.872 -1.573 18490
1240 1 6 . 1 1 4 4 TRP H H 556 7.686 7.686 8.073 -0.387 18490
1241 1 6 . 1 1 5 5 LYS N N 557 120.748 120.748 119.038 1.710 18490
1242 1 6 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.894 -0.177 18490
1243 1 6 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.175 -3.682 18490
1244 1 6 . 1 1 5 5 LYS H H 557 8.983 8.983 8.621 0.362 18490
1245 1 6 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.382 -0.625 18490
1246 1 6 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.131 -2.159 18490
1247 1 6 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.138 -3.557 18490
1248 1 6 . 1 1 7 7 GLY N N 559 114.722 114.722 109.692 5.030 18490
1249 1 6 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.176 -3.303 18490
1250 1 6 . 1 1 7 7 GLY H H 559 9.372 9.372 8.316 1.056 18490
1251 1 6 . 1 1 8 8 ASP N N 560 121.253 121.253 120.813 0.440 18490
1252 1 6 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.869 -0.347 18490
1253 1 6 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.467 -0.276 18490
1254 1 6 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.630 -4.401 18490
1255 1 6 . 1 1 8 8 ASP H H 560 7.875 7.875 7.623 0.252 18490
1256 1 6 . 1 1 9 9 GLU N N 561 121.105 121.105 124.606 -3.501 18490
1257 1 6 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.390 0.432 18490
1258 1 6 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.167 -4.110 18490
1259 1 6 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.616 0.149 18490
1260 1 6 . 1 1 9 9 GLU H H 561 8.543 8.543 8.724 -0.181 18490
1261 1 6 . 1 1 10 10 CYS N N 562 115.944 115.944 120.890 -4.946 18490
1262 1 6 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.610 0.244 18490
1263 1 6 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.590 -4.941 18490
1264 1 6 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.666 -2.883 18490
1265 1 6 . 1 1 10 10 CYS H H 562 8.627 8.627 8.772 -0.145 18490
1266 1 6 . 1 1 11 11 PHE N N 563 116.503 116.503 121.054 -4.551 18490
1267 1 6 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.383 -0.334 18490
1268 1 6 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.809 -1.668 18490
1269 1 6 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.129 -2.052 18490
1270 1 6 . 1 1 11 11 PHE H H 563 8.936 8.936 9.270 -0.334 18490
1271 1 6 . 1 1 12 12 ALA N N 564 122.486 122.486 127.722 -5.236 18490
1272 1 6 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.147 0.257 18490
1273 1 6 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.324 -2.937 18490
1274 1 6 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.327 -0.238 18490
1275 1 6 . 1 1 12 12 ALA H H 564 9.195 9.195 9.501 -0.306 18490
1276 1 6 . 1 1 13 13 LEU N N 565 123.611 123.611 126.706 -3.095 18490
1277 1 6 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.168 -0.804 18490
1278 1 6 . 1 1 13 13 LEU CA C 565 52.469 52.469 55.034 -2.565 18490
1279 1 6 . 1 1 13 13 LEU CB C 565 41.189 41.189 42.265 -1.076 18490
1280 1 6 . 1 1 13 13 LEU H H 565 7.362 7.362 8.699 -1.337 18490
1281 1 6 . 1 1 14 14 TYR N N 566 131.717 131.717 126.741 4.976 18490
1282 1 6 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.587 0.222 18490
1283 1 6 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.390 -4.894 18490
1284 1 6 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.639 -6.790 18490
1285 1 6 . 1 1 14 14 TYR H H 566 9.326 9.326 8.765 0.561 18490
1286 1 6 . 1 1 15 15 TRP N N 567 128.045 128.045 118.543 9.502 18490
1287 1 6 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.711 -0.776 18490
1288 1 6 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.299 -2.522 18490
1289 1 6 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.363 -3.942 18490
1290 1 6 . 1 1 15 15 TRP H H 567 8.312 8.312 7.434 0.878 18490
1291 1 6 . 1 1 16 16 GLU N N 568 116.959 116.959 123.088 -6.129 18490
1292 1 6 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.573 -0.834 18490
1293 1 6 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.811 -1.748 18490
1294 1 6 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.773 -1.826 18490
1295 1 6 . 1 1 16 16 GLU H H 568 3.785 3.785 6.193 -2.408 18490
1296 1 6 . 1 1 17 17 ASP N N 569 111.935 111.935 115.687 -3.752 18490
1297 1 6 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.494 -0.102 18490
1298 1 6 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.421 -4.271 18490
1299 1 6 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.043 -1.304 18490
1300 1 6 . 1 1 17 17 ASP H H 569 6.511 6.511 7.762 -1.251 18490
1301 1 6 . 1 1 18 18 ASN N N 570 116.485 116.485 116.895 -0.410 18490
1302 1 6 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.305 -0.403 18490
1303 1 6 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.278 -2.057 18490
1304 1 6 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.742 -2.446 18490
1305 1 6 . 1 1 18 18 ASN H H 570 8.091 8.091 8.358 -0.267 18490
1306 1 6 . 1 1 19 19 LYS N N 571 116.593 116.593 118.878 -2.285 18490
1307 1 6 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.518 -0.156 18490
1308 1 6 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.926 -3.101 18490
1309 1 6 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.359 -2.123 18490
1310 1 6 . 1 1 19 19 LYS H H 571 7.514 7.514 7.946 -0.432 18490
1311 1 6 . 1 1 20 20 PHE N N 572 118.347 118.347 120.970 -2.623 18490
1312 1 6 . 1 1 20 20 PHE HA H 572 4.865 4.865 5.008 -0.143 18490
1313 1 6 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.176 -2.603 18490
1314 1 6 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.890 -1.366 18490
1315 1 6 . 1 1 20 20 PHE H H 572 8.267 8.267 8.635 -0.368 18490
1316 1 6 . 1 1 21 21 TYR N N 573 117.867 117.867 121.499 -3.632 18490
1317 1 6 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.070 -0.121 18490
1318 1 6 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.797 -2.713 18490
1319 1 6 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.715 -1.516 18490
1320 1 6 . 1 1 21 21 TYR H H 573 8.726 8.726 9.148 -0.422 18490
1321 1 6 . 1 1 22 22 ARG N N 574 122.076 122.076 120.949 1.127 18490
1322 1 6 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.143 0.032 18490
1323 1 6 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.924 -2.304 18490
1324 1 6 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.904 -2.132 18490
1325 1 6 . 1 1 22 22 ARG H H 574 9.110 9.110 8.980 0.130 18490
1326 1 6 . 1 1 23 23 ALA N N 575 127.941 127.941 126.856 1.085 18490
1327 1 6 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.847 0.167 18490
1328 1 6 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.758 -2.270 18490
1329 1 6 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.956 -2.264 18490
1330 1 6 . 1 1 23 23 ALA H H 575 9.307 9.307 8.968 0.339 18490
1331 1 6 . 1 1 24 24 GLU N N 576 118.347 118.347 123.817 -5.470 18490
1332 1 6 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.499 0.474 18490
1333 1 6 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.767 -3.574 18490
1334 1 6 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.998 -0.019 18490
1335 1 6 . 1 1 24 24 GLU H H 576 8.267 8.267 8.746 -0.479 18490
1336 1 6 . 1 1 25 25 VAL N N 577 124.034 124.034 126.992 -2.958 18490
1337 1 6 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.527 -0.125 18490
1338 1 6 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.528 -2.344 18490
1339 1 6 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.076 -2.280 18490
1340 1 6 . 1 1 25 25 VAL H H 577 8.840 8.840 8.320 0.520 18490
1341 1 6 . 1 1 26 26 GLU N N 578 131.333 131.333 130.300 1.033 18490
1342 1 6 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.391 0.085 18490
1343 1 6 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.126 -1.925 18490
1344 1 6 . 1 1 26 26 GLU CB C 578 27.969 27.969 32.274 -4.305 18490
1345 1 6 . 1 1 26 26 GLU H H 578 9.368 9.368 8.963 0.405 18490
1346 1 6 . 1 1 27 27 ALA N N 579 117.488 117.488 122.302 -4.814 18490
1347 1 6 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.515 -0.201 18490
1348 1 6 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.866 -3.724 18490
1349 1 6 . 1 1 27 27 ALA CB C 579 19.563 19.563 21.035 -1.472 18490
1350 1 6 . 1 1 27 27 ALA H H 579 7.681 7.681 8.246 -0.565 18490
1351 1 6 . 1 1 28 28 LEU N N 580 122.399 122.399 125.156 -2.757 18490
1352 1 6 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.677 -0.137 18490
1353 1 6 . 1 1 28 28 LEU CA C 580 50.734 50.734 53.323 -2.589 18490
1354 1 6 . 1 1 28 28 LEU CB C 580 39.607 39.607 43.759 -4.152 18490
1355 1 6 . 1 1 28 28 LEU H H 580 8.860 8.860 8.242 0.618 18490
1356 1 6 . 1 1 29 29 HIS N N 581 123.783 123.783 125.345 -1.562 18490
1357 1 6 . 1 1 29 29 HIS H H 581 7.867 7.867 8.387 -0.520 18490
1358 1 6 . 1 1 30 30 SER N N 582 109.799 109.799 123.102 -13.303 18490
1359 1 6 . 1 1 30 30 SER H H 582 7.731 7.731 8.647 -0.916 18490
1360 1 6 . 1 1 31 31 SER HA H 583 4.191 4.191 4.692 -0.501 18490
1361 1 6 . 1 1 31 31 SER CA C 583 57.135 57.135 57.534 -0.399 18490
1362 1 6 . 1 1 31 31 SER CB C 583 61.202 61.202 64.036 -2.834 18490
1363 1 6 . 1 1 32 32 GLY N N 584 108.532 108.532 109.753 -1.221 18490
1364 1 6 . 1 1 32 32 GLY CA C 584 43.284 43.284 44.385 -1.101 18490
1365 1 6 . 1 1 32 32 GLY H H 584 8.017 8.017 7.501 0.516 18490
1366 1 6 . 1 1 33 33 MET N N 585 113.817 113.817 119.619 -5.802 18490
1367 1 6 . 1 1 33 33 MET HA H 585 4.637 4.637 4.636 0.001 18490
1368 1 6 . 1 1 33 33 MET CA C 585 53.230 53.230 56.630 -3.400 18490
1369 1 6 . 1 1 33 33 MET CB C 585 31.595 31.595 33.799 -2.204 18490
1370 1 6 . 1 1 33 33 MET H H 585 8.057 8.057 8.269 -0.212 18490
1371 1 6 . 1 1 34 34 THR N N 586 107.993 107.993 109.075 -1.082 18490
1372 1 6 . 1 1 34 34 THR HA H 586 3.936 3.936 5.319 -1.383 18490
1373 1 6 . 1 1 34 34 THR CA C 586 55.762 55.762 59.590 -3.828 18490
1374 1 6 . 1 1 34 34 THR CB C 586 70.532 70.532 72.202 -1.670 18490
1375 1 6 . 1 1 34 34 THR H H 586 7.014 7.014 7.348 -0.334 18490
1376 1 6 . 1 1 35 35 ALA N N 587 122.076 122.076 122.869 -0.793 18490
1377 1 6 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.934 -0.138 18490
1378 1 6 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.982 -3.250 18490
1379 1 6 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.272 -2.359 18490
1380 1 6 . 1 1 35 35 ALA H H 587 9.110 9.110 8.987 0.123 18490
1381 1 6 . 1 1 36 36 VAL N N 588 120.263 120.263 125.377 -5.114 18490
1382 1 6 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.934 -0.260 18490
1383 1 6 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.886 -2.572 18490
1384 1 6 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.464 -2.519 18490
1385 1 6 . 1 1 36 36 VAL H H 588 8.656 8.656 8.719 -0.063 18490
1386 1 6 . 1 1 37 37 VAL N N 589 120.768 120.768 122.283 -1.515 18490
1387 1 6 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.621 0.252 18490
1388 1 6 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.443 -4.472 18490
1389 1 6 . 1 1 37 37 VAL CB C 589 31.584 31.584 35.241 -3.657 18490
1390 1 6 . 1 1 37 37 VAL H H 589 9.082 9.082 8.470 0.612 18490
1391 1 6 . 1 1 38 38 LYS N N 590 121.105 121.105 125.480 -4.375 18490
1392 1 6 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.829 -0.404 18490
1393 1 6 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.476 -3.626 18490
1394 1 6 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.400 -0.848 18490
1395 1 6 . 1 1 38 38 LYS H H 590 8.534 8.534 8.637 -0.103 18490
1396 1 6 . 1 1 39 39 PHE N N 591 126.314 126.314 127.342 -1.028 18490
1397 1 6 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.518 -0.193 18490
1398 1 6 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.097 -1.908 18490
1399 1 6 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.858 -2.158 18490
1400 1 6 . 1 1 39 39 PHE H H 591 8.511 8.511 8.260 0.251 18490
1401 1 6 . 1 1 40 40 ILE N N 592 124.308 124.308 124.538 -0.230 18490
1402 1 6 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.808 -0.333 18490
1403 1 6 . 1 1 40 40 ILE CA C 592 61.510 61.510 64.794 -3.284 18490
1404 1 6 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.800 -2.622 18490
1405 1 6 . 1 1 40 40 ILE H H 592 7.677 7.677 7.859 -0.182 18490
1406 1 6 . 1 1 41 41 ASP N N 593 119.217 119.217 119.419 -0.202 18490
1407 1 6 . 1 1 41 41 ASP H H 593 9.043 9.043 8.641 0.402 18490
1408 1 6 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.622 0.061 18490
1409 1 6 . 1 1 43 43 GLY N N 595 106.446 106.446 108.208 -1.762 18490
1410 1 6 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.482 -2.346 18490
1411 1 6 . 1 1 43 43 GLY H H 595 8.036 8.036 8.867 -0.831 18490
1412 1 6 . 1 1 44 44 ASN N N 596 114.398 114.398 116.209 -1.811 18490
1413 1 6 . 1 1 44 44 ASN HA H 596 4.672 4.672 4.973 -0.301 18490
1414 1 6 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.879 -1.616 18490
1415 1 6 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.106 -4.678 18490
1416 1 6 . 1 1 44 44 ASN H H 596 8.520 8.520 7.686 0.834 18490
1417 1 6 . 1 1 45 45 TYR N N 597 120.716 120.716 113.924 6.792 18490
1418 1 6 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.726 -0.142 18490
1419 1 6 . 1 1 45 45 TYR CA C 597 53.901 53.901 56.013 -2.112 18490
1420 1 6 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.502 -4.070 18490
1421 1 6 . 1 1 45 45 TYR H H 597 8.650 8.650 8.034 0.616 18490
1422 1 6 . 1 1 46 46 GLU N N 598 118.075 118.075 117.840 0.235 18490
1423 1 6 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.619 0.249 18490
1424 1 6 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.829 -3.619 18490
1425 1 6 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.526 -0.285 18490
1426 1 6 . 1 1 46 46 GLU H H 598 8.822 8.822 8.631 0.191 18490
1427 1 6 . 1 1 47 47 GLU N N 599 122.692 122.692 120.460 2.232 18490
1428 1 6 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.777 0.238 18490
1429 1 6 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.175 -3.328 18490
1430 1 6 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.437 -2.585 18490
1431 1 6 . 1 1 47 47 GLU H H 599 8.892 8.892 8.587 0.305 18490
1432 1 6 . 1 1 48 48 VAL N N 600 125.296 125.296 121.277 4.019 18490
1433 1 6 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.429 0.156 18490
1434 1 6 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.560 -3.628 18490
1435 1 6 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.230 -2.585 18490
1436 1 6 . 1 1 48 48 VAL H H 600 9.280 9.280 8.547 0.733 18490
1437 1 6 . 1 1 49 49 LEU N N 601 123.816 123.816 123.844 -0.028 18490
1438 1 6 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.573 -0.224 18490
1439 1 6 . 1 1 49 49 LEU CA C 601 52.625 52.625 55.961 -3.336 18490
1440 1 6 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.567 -2.733 18490
1441 1 6 . 1 1 49 49 LEU H H 601 8.628 8.628 8.530 0.098 18490
1442 1 6 . 1 1 50 50 LEU N N 602 123.131 123.131 127.687 -4.556 18490
1443 1 6 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.067 -0.338 18490
1444 1 6 . 1 1 50 50 LEU CA C 602 55.206 55.206 59.328 -4.122 18490
1445 1 6 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.825 -3.243 18490
1446 1 6 . 1 1 50 50 LEU H H 602 8.183 8.183 8.479 -0.296 18490
1447 1 6 . 1 1 51 51 SER N N 603 109.799 109.799 110.118 -0.319 18490
1448 1 6 . 1 1 51 51 SER HA H 603 4.228 4.228 4.317 -0.089 18490
1449 1 6 . 1 1 51 51 SER CA C 603 57.025 57.025 60.293 -3.268 18490
1450 1 6 . 1 1 51 51 SER CB C 603 59.696 59.696 63.199 -3.503 18490
1451 1 6 . 1 1 51 51 SER H H 603 7.731 7.731 8.758 -1.027 18490
1452 1 6 . 1 1 52 52 ASN N N 604 120.726 120.726 117.342 3.384 18490
1453 1 6 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.066 0.068 18490
1454 1 6 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.262 -3.361 18490
1455 1 6 . 1 1 52 52 ASN CB C 604 36.854 36.854 39.370 -2.516 18490
1456 1 6 . 1 1 52 52 ASN H H 604 7.952 7.952 7.886 0.066 18490
1457 1 6 . 1 1 53 53 ILE N N 605 115.439 115.439 121.671 -6.232 18490
1458 1 6 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.005 0.006 18490
1459 1 6 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.954 -3.193 18490
1460 1 6 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.260 -1.796 18490
1461 1 6 . 1 1 53 53 ILE H H 605 7.162 7.162 7.524 -0.362 18490
1462 1 6 . 1 1 54 54 LYS N N 606 122.864 122.864 128.053 -5.189 18490
1463 1 6 . 1 1 54 54 LYS H H 606 9.245 9.245 9.229 0.016 18490
1464 1 6 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.816 0.054 18490
1465 1 6 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.043 -3.101 18490
1466 1 6 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.516 -2.536 18490
1467 1 6 . 1 1 56 56 ILE N N 608 118.715 118.715 118.782 -0.067 18490
1468 1 6 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.452 -0.542 18490
1469 1 6 . 1 1 56 56 ILE CA C 608 58.905 58.905 63.296 -4.391 18490
1470 1 6 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.770 -3.807 18490
1471 1 6 . 1 1 56 56 ILE H H 608 8.363 8.363 8.893 -0.530 18490
1472 1 6 . 1 1 57 57 LEU N N 609 124.451 124.451 118.203 6.248 18490
1473 1 6 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.471 -0.220 18490
1474 1 6 . 1 1 57 57 LEU CA C 609 52.007 52.007 55.096 -3.089 18490
1475 1 6 . 1 1 57 57 LEU CB C 609 39.827 39.827 42.741 -2.914 18490
1476 1 6 . 1 1 57 57 LEU H H 609 8.034 8.034 7.837 0.197 18490
1477 1 7 . 1 1 2 2 LYS N N 554 126.040 126.040 128.235 -2.195 18490
1478 1 7 . 1 1 2 2 LYS H H 554 7.684 7.684 8.662 -0.978 18490
1479 1 7 . 1 1 3 3 MET HA H 555 4.538 4.538 4.459 0.079 18490
1480 1 7 . 1 1 3 3 MET CA C 555 51.252 51.252 56.062 -4.810 18490
1481 1 7 . 1 1 3 3 MET CB C 555 28.816 28.816 32.043 -3.227 18490
1482 1 7 . 1 1 4 4 TRP N N 556 124.579 124.579 120.507 4.072 18490
1483 1 7 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.768 -0.216 18490
1484 1 7 . 1 1 4 4 TRP CA C 556 54.260 54.260 56.466 -2.206 18490
1485 1 7 . 1 1 4 4 TRP CB C 556 29.299 29.299 32.072 -2.773 18490
1486 1 7 . 1 1 4 4 TRP H H 556 7.686 7.686 7.451 0.235 18490
1487 1 7 . 1 1 5 5 LYS N N 557 120.748 120.748 120.079 0.669 18490
1488 1 7 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.852 -0.135 18490
1489 1 7 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.490 -3.996 18490
1490 1 7 . 1 1 5 5 LYS H H 557 8.983 8.983 8.860 0.123 18490
1491 1 7 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.389 -0.632 18490
1492 1 7 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.324 -2.352 18490
1493 1 7 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.196 -3.615 18490
1494 1 7 . 1 1 7 7 GLY N N 559 114.722 114.722 111.769 2.953 18490
1495 1 7 . 1 1 7 7 GLY CA C 559 41.873 41.873 44.782 -2.909 18490
1496 1 7 . 1 1 7 7 GLY H H 559 9.372 9.372 8.281 1.091 18490
1497 1 7 . 1 1 8 8 ASP N N 560 121.253 121.253 120.868 0.385 18490
1498 1 7 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.898 -0.376 18490
1499 1 7 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.284 -0.093 18490
1500 1 7 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.197 -3.969 18490
1501 1 7 . 1 1 8 8 ASP H H 560 7.875 7.875 7.596 0.279 18490
1502 1 7 . 1 1 9 9 GLU N N 561 121.105 121.105 124.061 -2.956 18490
1503 1 7 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.311 0.511 18490
1504 1 7 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.780 -3.723 18490
1505 1 7 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.576 0.189 18490
1506 1 7 . 1 1 9 9 GLU H H 561 8.543 8.543 8.674 -0.131 18490
1507 1 7 . 1 1 10 10 CYS N N 562 115.944 115.944 122.209 -6.265 18490
1508 1 7 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.680 0.174 18490
1509 1 7 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.793 -4.144 18490
1510 1 7 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.114 -2.331 18490
1511 1 7 . 1 1 10 10 CYS H H 562 8.627 8.627 8.686 -0.059 18490
1512 1 7 . 1 1 11 11 PHE N N 563 116.503 116.503 120.044 -3.541 18490
1513 1 7 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.271 -0.222 18490
1514 1 7 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.023 -1.883 18490
1515 1 7 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.776 -2.699 18490
1516 1 7 . 1 1 11 11 PHE H H 563 8.936 8.936 9.209 -0.273 18490
1517 1 7 . 1 1 12 12 ALA N N 564 122.486 122.486 127.505 -5.019 18490
1518 1 7 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.341 0.063 18490
1519 1 7 . 1 1 12 12 ALA CA C 564 47.387 47.387 49.929 -2.542 18490
1520 1 7 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.872 -0.783 18490
1521 1 7 . 1 1 12 12 ALA H H 564 9.195 9.195 9.504 -0.309 18490
1522 1 7 . 1 1 13 13 LEU N N 565 123.611 123.611 127.226 -3.615 18490
1523 1 7 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.112 -0.748 18490
1524 1 7 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.584 -2.115 18490
1525 1 7 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.265 -0.076 18490
1526 1 7 . 1 1 13 13 LEU H H 565 7.362 7.362 8.685 -1.323 18490
1527 1 7 . 1 1 14 14 TYR N N 566 131.717 131.717 126.772 4.945 18490
1528 1 7 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.496 0.313 18490
1529 1 7 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.062 -5.566 18490
1530 1 7 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.382 -6.533 18490
1531 1 7 . 1 1 14 14 TYR H H 566 9.326 9.326 8.939 0.387 18490
1532 1 7 . 1 1 15 15 TRP N N 567 128.045 128.045 119.976 8.069 18490
1533 1 7 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.577 -0.642 18490
1534 1 7 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.841 -2.064 18490
1535 1 7 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.028 -3.607 18490
1536 1 7 . 1 1 15 15 TRP H H 567 8.312 8.312 7.097 1.215 18490
1537 1 7 . 1 1 16 16 GLU N N 568 116.959 116.959 122.851 -5.892 18490
1538 1 7 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.829 -1.090 18490
1539 1 7 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.700 -1.637 18490
1540 1 7 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.728 -1.781 18490
1541 1 7 . 1 1 16 16 GLU H H 568 3.785 3.785 6.765 -2.980 18490
1542 1 7 . 1 1 17 17 ASP N N 569 111.935 111.935 115.032 -3.097 18490
1543 1 7 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.516 -0.124 18490
1544 1 7 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.458 -4.308 18490
1545 1 7 . 1 1 17 17 ASP CB C 569 38.739 38.739 39.830 -1.091 18490
1546 1 7 . 1 1 17 17 ASP H H 569 6.511 6.511 7.959 -1.448 18490
1547 1 7 . 1 1 18 18 ASN N N 570 116.485 116.485 116.258 0.227 18490
1548 1 7 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.418 -0.516 18490
1549 1 7 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.163 -1.942 18490
1550 1 7 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.887 -2.591 18490
1551 1 7 . 1 1 18 18 ASN H H 570 8.091 8.091 8.315 -0.224 18490
1552 1 7 . 1 1 19 19 LYS N N 571 116.593 116.593 118.431 -1.838 18490
1553 1 7 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.544 -0.182 18490
1554 1 7 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.018 -2.193 18490
1555 1 7 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.747 -2.511 18490
1556 1 7 . 1 1 19 19 LYS H H 571 7.514 7.514 7.847 -0.333 18490
1557 1 7 . 1 1 20 20 PHE N N 572 118.347 118.347 119.236 -0.889 18490
1558 1 7 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.960 -0.095 18490
1559 1 7 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.011 -2.438 18490
1560 1 7 . 1 1 20 20 PHE CB C 572 38.524 38.524 40.103 -1.579 18490
1561 1 7 . 1 1 20 20 PHE H H 572 8.267 8.267 8.316 -0.049 18490
1562 1 7 . 1 1 21 21 TYR N N 573 117.867 117.867 122.594 -4.727 18490
1563 1 7 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.184 -0.235 18490
1564 1 7 . 1 1 21 21 TYR CA C 573 54.084 54.084 57.314 -3.230 18490
1565 1 7 . 1 1 21 21 TYR CB C 573 41.199 41.199 43.261 -2.062 18490
1566 1 7 . 1 1 21 21 TYR H H 573 8.726 8.726 9.292 -0.566 18490
1567 1 7 . 1 1 22 22 ARG N N 574 122.076 122.076 120.298 1.778 18490
1568 1 7 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.248 -0.073 18490
1569 1 7 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.033 -1.413 18490
1570 1 7 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.723 -1.951 18490
1571 1 7 . 1 1 22 22 ARG H H 574 9.110 9.110 9.025 0.085 18490
1572 1 7 . 1 1 23 23 ALA N N 575 127.941 127.941 126.678 1.263 18490
1573 1 7 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.892 0.122 18490
1574 1 7 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.587 -2.099 18490
1575 1 7 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.590 -1.897 18490
1576 1 7 . 1 1 23 23 ALA H H 575 9.307 9.307 8.889 0.418 18490
1577 1 7 . 1 1 24 24 GLU N N 576 118.347 118.347 125.181 -6.834 18490
1578 1 7 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.329 0.644 18490
1579 1 7 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.210 -4.017 18490
1580 1 7 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.085 0.895 18490
1581 1 7 . 1 1 24 24 GLU H H 576 8.267 8.267 8.508 -0.241 18490
1582 1 7 . 1 1 25 25 VAL N N 577 124.034 124.034 127.065 -3.031 18490
1583 1 7 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.536 -0.134 18490
1584 1 7 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.603 -2.419 18490
1585 1 7 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.896 -2.100 18490
1586 1 7 . 1 1 25 25 VAL H H 577 8.840 8.840 8.473 0.367 18490
1587 1 7 . 1 1 26 26 GLU N N 578 131.333 131.333 130.892 0.441 18490
1588 1 7 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.378 0.098 18490
1589 1 7 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.240 -2.039 18490
1590 1 7 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.696 -3.727 18490
1591 1 7 . 1 1 26 26 GLU H H 578 9.368 9.368 8.833 0.535 18490
1592 1 7 . 1 1 27 27 ALA N N 579 117.488 117.488 121.818 -4.330 18490
1593 1 7 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.395 -0.081 18490
1594 1 7 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.081 -2.939 18490
1595 1 7 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.114 -0.551 18490
1596 1 7 . 1 1 27 27 ALA H H 579 7.681 7.681 7.808 -0.127 18490
1597 1 7 . 1 1 28 28 LEU N N 580 122.399 122.399 125.848 -3.449 18490
1598 1 7 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.667 -0.127 18490
1599 1 7 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.199 -3.465 18490
1600 1 7 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.320 -0.713 18490
1601 1 7 . 1 1 28 28 LEU H H 580 8.860 8.860 8.687 0.173 18490
1602 1 7 . 1 1 29 29 HIS N N 581 123.783 123.783 116.691 7.092 18490
1603 1 7 . 1 1 29 29 HIS H H 581 7.867 7.867 7.322 0.545 18490
1604 1 7 . 1 1 30 30 SER N N 582 109.799 109.799 114.364 -4.565 18490
1605 1 7 . 1 1 30 30 SER H H 582 7.731 7.731 8.971 -1.240 18490
1606 1 7 . 1 1 31 31 SER HA H 583 4.191 4.191 4.413 -0.222 18490
1607 1 7 . 1 1 31 31 SER CA C 583 57.135 57.135 59.986 -2.850 18490
1608 1 7 . 1 1 31 31 SER CB C 583 61.202 61.202 63.731 -2.529 18490
1609 1 7 . 1 1 32 32 GLY N N 584 108.532 108.532 108.747 -0.215 18490
1610 1 7 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.077 -1.793 18490
1611 1 7 . 1 1 32 32 GLY H H 584 8.017 8.017 8.306 -0.289 18490
1612 1 7 . 1 1 33 33 MET N N 585 113.817 113.817 117.405 -3.588 18490
1613 1 7 . 1 1 33 33 MET HA H 585 4.637 4.637 4.870 -0.233 18490
1614 1 7 . 1 1 33 33 MET CA C 585 53.230 53.230 55.894 -2.664 18490
1615 1 7 . 1 1 33 33 MET CB C 585 31.595 31.595 34.106 -2.511 18490
1616 1 7 . 1 1 33 33 MET H H 585 8.057 8.057 8.197 -0.140 18490
1617 1 7 . 1 1 34 34 THR N N 586 107.993 107.993 113.361 -5.368 18490
1618 1 7 . 1 1 34 34 THR HA H 586 3.936 3.936 4.994 -1.058 18490
1619 1 7 . 1 1 34 34 THR CA C 586 55.762 55.762 60.138 -4.376 18490
1620 1 7 . 1 1 34 34 THR CB C 586 70.532 70.532 70.745 -0.213 18490
1621 1 7 . 1 1 34 34 THR H H 586 7.014 7.014 7.651 -0.637 18490
1622 1 7 . 1 1 35 35 ALA N N 587 122.076 122.076 122.820 -0.744 18490
1623 1 7 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.944 -0.148 18490
1624 1 7 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.241 -2.509 18490
1625 1 7 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.394 -2.481 18490
1626 1 7 . 1 1 35 35 ALA H H 587 9.110 9.110 8.816 0.294 18490
1627 1 7 . 1 1 36 36 VAL N N 588 120.263 120.263 122.686 -2.423 18490
1628 1 7 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.856 -0.182 18490
1629 1 7 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.292 -1.978 18490
1630 1 7 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.816 -2.871 18490
1631 1 7 . 1 1 36 36 VAL H H 588 8.656 8.656 8.635 0.021 18490
1632 1 7 . 1 1 37 37 VAL N N 589 120.768 120.768 121.610 -0.842 18490
1633 1 7 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.576 0.297 18490
1634 1 7 . 1 1 37 37 VAL CA C 589 54.971 54.971 60.026 -5.055 18490
1635 1 7 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.623 -3.039 18490
1636 1 7 . 1 1 37 37 VAL H H 589 9.082 9.082 8.673 0.409 18490
1637 1 7 . 1 1 38 38 LYS N N 590 121.105 121.105 126.645 -5.540 18490
1638 1 7 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.856 -0.431 18490
1639 1 7 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.698 -3.848 18490
1640 1 7 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.669 -1.117 18490
1641 1 7 . 1 1 38 38 LYS H H 590 8.534 8.534 8.498 0.036 18490
1642 1 7 . 1 1 39 39 PHE N N 591 126.314 126.314 127.711 -1.397 18490
1643 1 7 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.620 -0.295 18490
1644 1 7 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.133 -1.944 18490
1645 1 7 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.731 -2.031 18490
1646 1 7 . 1 1 39 39 PHE H H 591 8.511 8.511 8.903 -0.392 18490
1647 1 7 . 1 1 40 40 ILE N N 592 124.308 124.308 123.849 0.459 18490
1648 1 7 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.903 -0.428 18490
1649 1 7 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.646 -2.136 18490
1650 1 7 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.417 -2.239 18490
1651 1 7 . 1 1 40 40 ILE H H 592 7.677 7.677 8.346 -0.669 18490
1652 1 7 . 1 1 41 41 ASP N N 593 119.217 119.217 118.025 1.192 18490
1653 1 7 . 1 1 41 41 ASP H H 593 9.043 9.043 8.417 0.626 18490
1654 1 7 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.717 -0.034 18490
1655 1 7 . 1 1 43 43 GLY N N 595 106.446 106.446 108.479 -2.033 18490
1656 1 7 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.529 -2.393 18490
1657 1 7 . 1 1 43 43 GLY H H 595 8.036 8.036 8.847 -0.811 18490
1658 1 7 . 1 1 44 44 ASN N N 596 114.398 114.398 116.160 -1.762 18490
1659 1 7 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.151 -0.479 18490
1660 1 7 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.524 -1.261 18490
1661 1 7 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.066 -4.637 18490
1662 1 7 . 1 1 44 44 ASN H H 596 8.520 8.520 8.155 0.365 18490
1663 1 7 . 1 1 45 45 TYR N N 597 120.716 120.716 114.169 6.547 18490
1664 1 7 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.842 -0.258 18490
1665 1 7 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.771 -1.870 18490
1666 1 7 . 1 1 45 45 TYR CB C 597 37.432 37.432 40.895 -3.463 18490
1667 1 7 . 1 1 45 45 TYR H H 597 8.650 8.650 8.290 0.360 18490
1668 1 7 . 1 1 46 46 GLU N N 598 118.075 118.075 119.669 -1.594 18490
1669 1 7 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.691 0.177 18490
1670 1 7 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.471 -3.261 18490
1671 1 7 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.542 -0.301 18490
1672 1 7 . 1 1 46 46 GLU H H 598 8.822 8.822 8.802 0.020 18490
1673 1 7 . 1 1 47 47 GLU N N 599 122.692 122.692 120.614 2.078 18490
1674 1 7 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.940 0.075 18490
1675 1 7 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.523 -3.676 18490
1676 1 7 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.008 -2.156 18490
1677 1 7 . 1 1 47 47 GLU H H 599 8.892 8.892 8.598 0.294 18490
1678 1 7 . 1 1 48 48 VAL N N 600 125.296 125.296 124.291 1.005 18490
1679 1 7 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.438 0.147 18490
1680 1 7 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.149 -3.217 18490
1681 1 7 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.107 -2.462 18490
1682 1 7 . 1 1 48 48 VAL H H 600 9.280 9.280 9.054 0.226 18490
1683 1 7 . 1 1 49 49 LEU N N 601 123.816 123.816 124.976 -1.160 18490
1684 1 7 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.380 -0.031 18490
1685 1 7 . 1 1 49 49 LEU CA C 601 52.625 52.625 55.880 -3.255 18490
1686 1 7 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.134 -2.300 18490
1687 1 7 . 1 1 49 49 LEU H H 601 8.628 8.628 8.673 -0.045 18490
1688 1 7 . 1 1 50 50 LEU N N 602 123.131 123.131 126.031 -2.900 18490
1689 1 7 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.092 -0.363 18490
1690 1 7 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.755 -3.549 18490
1691 1 7 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.567 -2.985 18490
1692 1 7 . 1 1 50 50 LEU H H 602 8.183 8.183 8.233 -0.050 18490
1693 1 7 . 1 1 51 51 SER N N 603 109.799 109.799 110.544 -0.745 18490
1694 1 7 . 1 1 51 51 SER HA H 603 4.228 4.228 4.403 -0.175 18490
1695 1 7 . 1 1 51 51 SER CA C 603 57.025 57.025 60.168 -3.143 18490
1696 1 7 . 1 1 51 51 SER CB C 603 59.696 59.696 62.822 -3.126 18490
1697 1 7 . 1 1 51 51 SER H H 603 7.731 7.731 8.486 -0.755 18490
1698 1 7 . 1 1 52 52 ASN N N 604 120.726 120.726 119.229 1.497 18490
1699 1 7 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.134 0.000 18490
1700 1 7 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.783 -3.882 18490
1701 1 7 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.391 -3.537 18490
1702 1 7 . 1 1 52 52 ASN H H 604 7.952 7.952 7.948 0.004 18490
1703 1 7 . 1 1 53 53 ILE N N 605 115.439 115.439 120.467 -5.028 18490
1704 1 7 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.315 -0.304 18490
1705 1 7 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.675 -2.914 18490
1706 1 7 . 1 1 53 53 ILE CB C 605 37.464 37.464 40.166 -2.702 18490
1707 1 7 . 1 1 53 53 ILE H H 605 7.162 7.162 7.597 -0.435 18490
1708 1 7 . 1 1 54 54 LYS N N 606 122.864 122.864 125.903 -3.039 18490
1709 1 7 . 1 1 54 54 LYS H H 606 9.245 9.245 9.510 -0.265 18490
1710 1 7 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.884 -0.014 18490
1711 1 7 . 1 1 55 55 PRO CA C 607 59.942 59.942 62.686 -2.744 18490
1712 1 7 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.678 -2.698 18490
1713 1 7 . 1 1 56 56 ILE N N 608 118.715 118.715 118.327 0.388 18490
1714 1 7 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.526 -0.616 18490
1715 1 7 . 1 1 56 56 ILE CA C 608 58.905 58.905 61.930 -3.025 18490
1716 1 7 . 1 1 56 56 ILE CB C 608 34.964 34.964 39.033 -4.069 18490
1717 1 7 . 1 1 56 56 ILE H H 608 8.363 8.363 8.605 -0.242 18490
1718 1 7 . 1 1 57 57 LEU N N 609 124.451 124.451 118.285 6.166 18490
1719 1 7 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.783 -0.532 18490
1720 1 7 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.069 -2.062 18490
1721 1 7 . 1 1 57 57 LEU CB C 609 39.827 39.827 43.729 -3.902 18490
1722 1 7 . 1 1 57 57 LEU H H 609 8.034 8.034 7.569 0.465 18490
1723 1 8 . 1 1 2 2 LYS N N 554 126.040 126.040 125.499 0.541 18490
1724 1 8 . 1 1 2 2 LYS H H 554 7.684 7.684 8.543 -0.859 18490
1725 1 8 . 1 1 3 3 MET HA H 555 4.538 4.538 4.452 0.086 18490
1726 1 8 . 1 1 3 3 MET CA C 555 51.252 51.252 56.987 -5.735 18490
1727 1 8 . 1 1 3 3 MET CB C 555 28.816 28.816 33.147 -4.331 18490
1728 1 8 . 1 1 4 4 TRP N N 556 124.579 124.579 118.879 5.700 18490
1729 1 8 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.420 0.132 18490
1730 1 8 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.184 -2.924 18490
1731 1 8 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.207 -0.908 18490
1732 1 8 . 1 1 4 4 TRP H H 556 7.686 7.686 7.728 -0.042 18490
1733 1 8 . 1 1 5 5 LYS N N 557 120.748 120.748 118.141 2.607 18490
1734 1 8 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.691 0.026 18490
1735 1 8 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.446 -3.952 18490
1736 1 8 . 1 1 5 5 LYS H H 557 8.983 8.983 8.316 0.667 18490
1737 1 8 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.193 -0.436 18490
1738 1 8 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.489 -2.517 18490
1739 1 8 . 1 1 6 6 PRO CB C 558 28.581 28.581 31.884 -3.303 18490
1740 1 8 . 1 1 7 7 GLY N N 559 114.722 114.722 109.895 4.827 18490
1741 1 8 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.107 -3.234 18490
1742 1 8 . 1 1 7 7 GLY H H 559 9.372 9.372 8.284 1.088 18490
1743 1 8 . 1 1 8 8 ASP N N 560 121.253 121.253 121.143 0.110 18490
1744 1 8 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.799 -0.277 18490
1745 1 8 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.138 0.053 18490
1746 1 8 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.111 -3.882 18490
1747 1 8 . 1 1 8 8 ASP H H 560 7.875 7.875 7.562 0.313 18490
1748 1 8 . 1 1 9 9 GLU N N 561 121.105 121.105 123.764 -2.659 18490
1749 1 8 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.209 0.613 18490
1750 1 8 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.773 -3.716 18490
1751 1 8 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.012 0.753 18490
1752 1 8 . 1 1 9 9 GLU H H 561 8.543 8.543 8.592 -0.049 18490
1753 1 8 . 1 1 10 10 CYS N N 562 115.944 115.944 121.890 -5.946 18490
1754 1 8 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.535 0.319 18490
1755 1 8 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.155 -4.506 18490
1756 1 8 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.202 -2.419 18490
1757 1 8 . 1 1 10 10 CYS H H 562 8.627 8.627 8.671 -0.044 18490
1758 1 8 . 1 1 11 11 PHE N N 563 116.503 116.503 120.107 -3.604 18490
1759 1 8 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.108 -0.059 18490
1760 1 8 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.854 -1.713 18490
1761 1 8 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.746 -2.669 18490
1762 1 8 . 1 1 11 11 PHE H H 563 8.936 8.936 9.236 -0.300 18490
1763 1 8 . 1 1 12 12 ALA N N 564 122.486 122.486 128.177 -5.691 18490
1764 1 8 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.255 0.149 18490
1765 1 8 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.115 -2.728 18490
1766 1 8 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.708 -0.619 18490
1767 1 8 . 1 1 12 12 ALA H H 564 9.195 9.195 9.573 -0.378 18490
1768 1 8 . 1 1 13 13 LEU N N 565 123.611 123.611 127.793 -4.182 18490
1769 1 8 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.218 -0.854 18490
1770 1 8 . 1 1 13 13 LEU CA C 565 52.469 52.469 55.118 -2.649 18490
1771 1 8 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.708 -0.519 18490
1772 1 8 . 1 1 13 13 LEU H H 565 7.362 7.362 8.696 -1.334 18490
1773 1 8 . 1 1 14 14 TYR N N 566 131.717 131.717 127.922 3.795 18490
1774 1 8 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.472 0.337 18490
1775 1 8 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.946 -5.449 18490
1776 1 8 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.001 -6.152 18490
1777 1 8 . 1 1 14 14 TYR H H 566 9.326 9.326 9.048 0.278 18490
1778 1 8 . 1 1 15 15 TRP N N 567 128.045 128.045 119.926 8.119 18490
1779 1 8 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.713 -0.778 18490
1780 1 8 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.079 -2.302 18490
1781 1 8 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.555 -4.134 18490
1782 1 8 . 1 1 15 15 TRP H H 567 8.312 8.312 7.092 1.220 18490
1783 1 8 . 1 1 16 16 GLU N N 568 116.959 116.959 120.760 -3.801 18490
1784 1 8 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.143 -0.404 18490
1785 1 8 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.298 -1.235 18490
1786 1 8 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.675 -1.728 18490
1787 1 8 . 1 1 16 16 GLU H H 568 3.785 3.785 6.023 -2.238 18490
1788 1 8 . 1 1 17 17 ASP N N 569 111.935 111.935 114.649 -2.714 18490
1789 1 8 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.515 -0.123 18490
1790 1 8 . 1 1 17 17 ASP CA C 569 49.150 49.150 52.865 -3.715 18490
1791 1 8 . 1 1 17 17 ASP CB C 569 38.739 38.739 41.014 -2.275 18490
1792 1 8 . 1 1 17 17 ASP H H 569 6.511 6.511 8.027 -1.516 18490
1793 1 8 . 1 1 18 18 ASN N N 570 116.485 116.485 116.507 -0.022 18490
1794 1 8 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.436 -0.534 18490
1795 1 8 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.372 -2.151 18490
1796 1 8 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.685 -2.389 18490
1797 1 8 . 1 1 18 18 ASN H H 570 8.091 8.091 8.329 -0.238 18490
1798 1 8 . 1 1 19 19 LYS N N 571 116.593 116.593 118.143 -1.550 18490
1799 1 8 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.609 -0.247 18490
1800 1 8 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.455 -2.630 18490
1801 1 8 . 1 1 19 19 LYS CB C 571 32.236 32.236 35.120 -2.884 18490
1802 1 8 . 1 1 19 19 LYS H H 571 7.514 7.514 7.739 -0.225 18490
1803 1 8 . 1 1 20 20 PHE N N 572 118.347 118.347 118.181 0.166 18490
1804 1 8 . 1 1 20 20 PHE HA H 572 4.865 4.865 5.244 -0.379 18490
1805 1 8 . 1 1 20 20 PHE CA C 572 55.573 55.573 57.416 -1.843 18490
1806 1 8 . 1 1 20 20 PHE CB C 572 38.524 38.524 40.244 -1.720 18490
1807 1 8 . 1 1 20 20 PHE H H 572 8.267 8.267 8.433 -0.166 18490
1808 1 8 . 1 1 21 21 TYR N N 573 117.867 117.867 122.146 -4.279 18490
1809 1 8 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.126 -0.177 18490
1810 1 8 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.632 -2.548 18490
1811 1 8 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.469 -1.270 18490
1812 1 8 . 1 1 21 21 TYR H H 573 8.726 8.726 9.410 -0.684 18490
1813 1 8 . 1 1 22 22 ARG N N 574 122.076 122.076 123.140 -1.064 18490
1814 1 8 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.119 0.056 18490
1815 1 8 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.650 -3.030 18490
1816 1 8 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.285 -2.513 18490
1817 1 8 . 1 1 22 22 ARG H H 574 9.110 9.110 9.285 -0.175 18490
1818 1 8 . 1 1 23 23 ALA N N 575 127.941 127.941 126.975 0.966 18490
1819 1 8 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.804 0.210 18490
1820 1 8 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.862 -2.374 18490
1821 1 8 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.849 -2.156 18490
1822 1 8 . 1 1 23 23 ALA H H 575 9.307 9.307 8.905 0.402 18490
1823 1 8 . 1 1 24 24 GLU N N 576 118.347 118.347 125.308 -6.961 18490
1824 1 8 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.402 0.571 18490
1825 1 8 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.010 -3.817 18490
1826 1 8 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.135 0.845 18490
1827 1 8 . 1 1 24 24 GLU H H 576 8.267 8.267 8.641 -0.374 18490
1828 1 8 . 1 1 25 25 VAL N N 577 124.034 124.034 127.153 -3.119 18490
1829 1 8 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.466 -0.064 18490
1830 1 8 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.504 -2.320 18490
1831 1 8 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.521 -1.725 18490
1832 1 8 . 1 1 25 25 VAL H H 577 8.840 8.840 8.213 0.627 18490
1833 1 8 . 1 1 26 26 GLU N N 578 131.333 131.333 130.512 0.821 18490
1834 1 8 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.322 0.154 18490
1835 1 8 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.444 -2.243 18490
1836 1 8 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.520 -3.551 18490
1837 1 8 . 1 1 26 26 GLU H H 578 9.368 9.368 8.866 0.502 18490
1838 1 8 . 1 1 27 27 ALA N N 579 117.488 117.488 121.308 -3.820 18490
1839 1 8 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.740 -0.426 18490
1840 1 8 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.559 -3.417 18490
1841 1 8 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.990 -1.427 18490
1842 1 8 . 1 1 27 27 ALA H H 579 7.681 7.681 7.937 -0.256 18490
1843 1 8 . 1 1 28 28 LEU N N 580 122.399 122.399 126.386 -3.987 18490
1844 1 8 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.796 -0.256 18490
1845 1 8 . 1 1 28 28 LEU CA C 580 50.734 50.734 53.929 -3.195 18490
1846 1 8 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.735 -1.128 18490
1847 1 8 . 1 1 28 28 LEU H H 580 8.860 8.860 8.786 0.074 18490
1848 1 8 . 1 1 29 29 HIS N N 581 123.783 123.783 114.988 8.795 18490
1849 1 8 . 1 1 29 29 HIS H H 581 7.867 7.867 7.895 -0.028 18490
1850 1 8 . 1 1 30 30 SER N N 582 109.799 109.799 118.045 -8.246 18490
1851 1 8 . 1 1 30 30 SER H H 582 7.731 7.731 8.215 -0.484 18490
1852 1 8 . 1 1 31 31 SER HA H 583 4.191 4.191 4.686 -0.495 18490
1853 1 8 . 1 1 31 31 SER CA C 583 57.135 57.135 57.541 -0.406 18490
1854 1 8 . 1 1 31 31 SER CB C 583 61.202 61.202 65.410 -4.208 18490
1855 1 8 . 1 1 32 32 GLY N N 584 108.532 108.532 109.929 -1.397 18490
1856 1 8 . 1 1 32 32 GLY CA C 584 43.284 43.284 47.327 -4.043 18490
1857 1 8 . 1 1 32 32 GLY H H 584 8.017 8.017 8.963 -0.946 18490
1858 1 8 . 1 1 33 33 MET N N 585 113.817 113.817 114.150 -0.333 18490
1859 1 8 . 1 1 33 33 MET HA H 585 4.637 4.637 4.733 -0.096 18490
1860 1 8 . 1 1 33 33 MET CA C 585 53.230 53.230 55.296 -2.066 18490
1861 1 8 . 1 1 33 33 MET CB C 585 31.595 31.595 32.569 -0.974 18490
1862 1 8 . 1 1 33 33 MET H H 585 8.057 8.057 7.924 0.133 18490
1863 1 8 . 1 1 34 34 THR N N 586 107.993 107.993 112.838 -4.845 18490
1864 1 8 . 1 1 34 34 THR HA H 586 3.936 3.936 4.882 -0.946 18490
1865 1 8 . 1 1 34 34 THR CA C 586 55.762 55.762 60.186 -4.424 18490
1866 1 8 . 1 1 34 34 THR CB C 586 70.532 70.532 71.648 -1.116 18490
1867 1 8 . 1 1 34 34 THR H H 586 7.014 7.014 7.534 -0.520 18490
1868 1 8 . 1 1 35 35 ALA N N 587 122.076 122.076 121.049 1.027 18490
1869 1 8 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.799 -0.003 18490
1870 1 8 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.209 -3.477 18490
1871 1 8 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.192 -2.279 18490
1872 1 8 . 1 1 35 35 ALA H H 587 9.110 9.110 8.635 0.475 18490
1873 1 8 . 1 1 36 36 VAL N N 588 120.263 120.263 123.294 -3.031 18490
1874 1 8 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.786 -0.112 18490
1875 1 8 . 1 1 36 36 VAL CA C 588 59.314 59.314 60.759 -1.445 18490
1876 1 8 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.531 -2.586 18490
1877 1 8 . 1 1 36 36 VAL H H 588 8.656 8.656 8.714 -0.058 18490
1878 1 8 . 1 1 37 37 VAL N N 589 120.768 120.768 121.309 -0.541 18490
1879 1 8 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.653 0.220 18490
1880 1 8 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.990 -5.019 18490
1881 1 8 . 1 1 37 37 VAL CB C 589 31.584 31.584 35.349 -3.765 18490
1882 1 8 . 1 1 37 37 VAL H H 589 9.082 9.082 8.728 0.354 18490
1883 1 8 . 1 1 38 38 LYS N N 590 121.105 121.105 126.118 -5.013 18490
1884 1 8 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.861 -0.436 18490
1885 1 8 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.432 -3.582 18490
1886 1 8 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.751 -1.198 18490
1887 1 8 . 1 1 38 38 LYS H H 590 8.534 8.534 8.371 0.163 18490
1888 1 8 . 1 1 39 39 PHE N N 591 126.314 126.314 127.200 -0.886 18490
1889 1 8 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.610 -0.285 18490
1890 1 8 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.098 -1.909 18490
1891 1 8 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.291 -2.591 18490
1892 1 8 . 1 1 39 39 PHE H H 591 8.511 8.511 8.380 0.131 18490
1893 1 8 . 1 1 40 40 ILE N N 592 124.308 124.308 122.566 1.742 18490
1894 1 8 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.964 -0.489 18490
1895 1 8 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.276 -1.766 18490
1896 1 8 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.345 -2.167 18490
1897 1 8 . 1 1 40 40 ILE H H 592 7.677 7.677 8.146 -0.469 18490
1898 1 8 . 1 1 41 41 ASP N N 593 119.217 119.217 117.950 1.267 18490
1899 1 8 . 1 1 41 41 ASP H H 593 9.043 9.043 8.426 0.617 18490
1900 1 8 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.747 -0.064 18490
1901 1 8 . 1 1 43 43 GLY N N 595 106.446 106.446 108.961 -2.515 18490
1902 1 8 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.637 -2.501 18490
1903 1 8 . 1 1 43 43 GLY H H 595 8.036 8.036 8.803 -0.767 18490
1904 1 8 . 1 1 44 44 ASN N N 596 114.398 114.398 116.379 -1.981 18490
1905 1 8 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.182 -0.510 18490
1906 1 8 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.546 -1.283 18490
1907 1 8 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.425 -4.996 18490
1908 1 8 . 1 1 44 44 ASN H H 596 8.520 8.520 8.180 0.340 18490
1909 1 8 . 1 1 45 45 TYR N N 597 120.716 120.716 114.162 6.554 18490
1910 1 8 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.709 -0.125 18490
1911 1 8 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.736 -1.835 18490
1912 1 8 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.277 -3.845 18490
1913 1 8 . 1 1 45 45 TYR H H 597 8.650 8.650 8.197 0.453 18490
1914 1 8 . 1 1 46 46 GLU N N 598 118.075 118.075 117.929 0.146 18490
1915 1 8 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.729 0.139 18490
1916 1 8 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.656 -3.446 18490
1917 1 8 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.863 -0.622 18490
1918 1 8 . 1 1 46 46 GLU H H 598 8.822 8.822 8.721 0.101 18490
1919 1 8 . 1 1 47 47 GLU N N 599 122.692 122.692 121.641 1.051 18490
1920 1 8 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.948 0.067 18490
1921 1 8 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.273 -3.426 18490
1922 1 8 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.697 -2.845 18490
1923 1 8 . 1 1 47 47 GLU H H 599 8.892 8.892 8.640 0.252 18490
1924 1 8 . 1 1 48 48 VAL N N 600 125.296 125.296 122.252 3.044 18490
1925 1 8 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.355 0.230 18490
1926 1 8 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.556 -3.624 18490
1927 1 8 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.190 -2.545 18490
1928 1 8 . 1 1 48 48 VAL H H 600 9.280 9.280 8.854 0.426 18490
1929 1 8 . 1 1 49 49 LEU N N 601 123.816 123.816 124.472 -0.656 18490
1930 1 8 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.436 -0.087 18490
1931 1 8 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.068 -3.443 18490
1932 1 8 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.842 -3.008 18490
1933 1 8 . 1 1 49 49 LEU H H 601 8.628 8.628 8.482 0.145 18490
1934 1 8 . 1 1 50 50 LEU N N 602 123.131 123.131 127.481 -4.350 18490
1935 1 8 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.087 -0.358 18490
1936 1 8 . 1 1 50 50 LEU CA C 602 55.206 55.206 59.137 -3.931 18490
1937 1 8 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.797 -3.215 18490
1938 1 8 . 1 1 50 50 LEU H H 602 8.183 8.183 8.278 -0.095 18490
1939 1 8 . 1 1 51 51 SER N N 603 109.799 109.799 112.315 -2.516 18490
1940 1 8 . 1 1 51 51 SER HA H 603 4.228 4.228 4.430 -0.202 18490
1941 1 8 . 1 1 51 51 SER CA C 603 57.025 57.025 60.084 -3.059 18490
1942 1 8 . 1 1 51 51 SER CB C 603 59.696 59.696 62.639 -2.943 18490
1943 1 8 . 1 1 51 51 SER H H 603 7.731 7.731 8.694 -0.963 18490
1944 1 8 . 1 1 52 52 ASN N N 604 120.726 120.726 119.042 1.684 18490
1945 1 8 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.186 -0.052 18490
1946 1 8 . 1 1 52 52 ASN CA C 604 49.901 49.901 52.996 -3.095 18490
1947 1 8 . 1 1 52 52 ASN CB C 604 36.854 36.854 39.965 -3.111 18490
1948 1 8 . 1 1 52 52 ASN H H 604 7.952 7.952 7.898 0.054 18490
1949 1 8 . 1 1 53 53 ILE N N 605 115.439 115.439 120.855 -5.416 18490
1950 1 8 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.280 -0.269 18490
1951 1 8 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.811 -3.050 18490
1952 1 8 . 1 1 53 53 ILE CB C 605 37.464 37.464 40.240 -2.776 18490
1953 1 8 . 1 1 53 53 ILE H H 605 7.162 7.162 8.213 -1.051 18490
1954 1 8 . 1 1 54 54 LYS N N 606 122.864 122.864 127.335 -4.471 18490
1955 1 8 . 1 1 54 54 LYS H H 606 9.245 9.245 9.438 -0.193 18490
1956 1 8 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.743 0.127 18490
1957 1 8 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.239 -3.297 18490
1958 1 8 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.620 -2.640 18490
1959 1 8 . 1 1 56 56 ILE N N 608 118.715 118.715 118.287 0.428 18490
1960 1 8 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.455 -0.545 18490
1961 1 8 . 1 1 56 56 ILE CA C 608 58.905 58.905 61.801 -2.896 18490
1962 1 8 . 1 1 56 56 ILE CB C 608 34.964 34.964 39.026 -4.062 18490
1963 1 8 . 1 1 56 56 ILE H H 608 8.363 8.363 8.644 -0.281 18490
1964 1 8 . 1 1 57 57 LEU N N 609 124.451 124.451 121.161 3.290 18490
1965 1 8 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.665 -0.414 18490
1966 1 8 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.514 -2.507 18490
1967 1 8 . 1 1 57 57 LEU CB C 609 39.827 39.827 44.199 -4.372 18490
1968 1 8 . 1 1 57 57 LEU H H 609 8.034 8.034 7.525 0.509 18490
1969 1 9 . 1 1 2 2 LYS N N 554 126.040 126.040 121.159 4.881 18490
1970 1 9 . 1 1 2 2 LYS H H 554 7.684 7.684 8.041 -0.357 18490
1971 1 9 . 1 1 3 3 MET HA H 555 4.538 4.538 4.745 -0.207 18490
1972 1 9 . 1 1 3 3 MET CA C 555 51.252 51.252 54.672 -3.420 18490
1973 1 9 . 1 1 3 3 MET CB C 555 28.816 28.816 32.077 -3.260 18490
1974 1 9 . 1 1 4 4 TRP N N 556 124.579 124.579 121.990 2.589 18490
1975 1 9 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.502 0.050 18490
1976 1 9 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.628 -3.368 18490
1977 1 9 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.159 -0.860 18490
1978 1 9 . 1 1 4 4 TRP H H 556 7.686 7.686 8.247 -0.561 18490
1979 1 9 . 1 1 5 5 LYS N N 557 120.748 120.748 121.572 -0.824 18490
1980 1 9 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.867 -0.150 18490
1981 1 9 . 1 1 5 5 LYS CA C 557 50.494 50.494 53.777 -3.283 18490
1982 1 9 . 1 1 5 5 LYS H H 557 8.983 8.983 8.168 0.816 18490
1983 1 9 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.324 -0.567 18490
1984 1 9 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.163 -2.191 18490
1985 1 9 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.018 -3.437 18490
1986 1 9 . 1 1 7 7 GLY N N 559 114.722 114.722 110.455 4.267 18490
1987 1 9 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.082 -3.209 18490
1988 1 9 . 1 1 7 7 GLY H H 559 9.372 9.372 8.249 1.123 18490
1989 1 9 . 1 1 8 8 ASP N N 560 121.253 121.253 120.842 0.411 18490
1990 1 9 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.815 -0.293 18490
1991 1 9 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.550 -0.359 18490
1992 1 9 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.151 -3.921 18490
1993 1 9 . 1 1 8 8 ASP H H 560 7.875 7.875 7.573 0.302 18490
1994 1 9 . 1 1 9 9 GLU N N 561 121.105 121.105 123.389 -2.284 18490
1995 1 9 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.424 0.398 18490
1996 1 9 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.939 -3.882 18490
1997 1 9 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.992 -0.227 18490
1998 1 9 . 1 1 9 9 GLU H H 561 8.543 8.543 8.596 -0.053 18490
1999 1 9 . 1 1 10 10 CYS N N 562 115.944 115.944 121.036 -5.092 18490
2000 1 9 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.982 -0.128 18490
2001 1 9 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.698 -4.049 18490
2002 1 9 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.359 -2.576 18490
2003 1 9 . 1 1 10 10 CYS H H 562 8.627 8.627 8.815 -0.188 18490
2004 1 9 . 1 1 11 11 PHE N N 563 116.503 116.503 120.517 -4.014 18490
2005 1 9 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.177 -0.128 18490
2006 1 9 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.909 -1.768 18490
2007 1 9 . 1 1 11 11 PHE CB C 563 39.077 39.077 40.981 -1.904 18490
2008 1 9 . 1 1 11 11 PHE H H 563 8.936 8.936 8.898 0.038 18490
2009 1 9 . 1 1 12 12 ALA N N 564 122.486 122.486 127.906 -5.420 18490
2010 1 9 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.230 0.174 18490
2011 1 9 . 1 1 12 12 ALA CA C 564 47.387 47.387 49.999 -2.612 18490
2012 1 9 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.398 -0.308 18490
2013 1 9 . 1 1 12 12 ALA H H 564 9.195 9.195 9.432 -0.237 18490
2014 1 9 . 1 1 13 13 LEU N N 565 123.611 123.611 127.341 -3.730 18490
2015 1 9 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.373 -1.009 18490
2016 1 9 . 1 1 13 13 LEU CA C 565 52.469 52.469 55.284 -2.815 18490
2017 1 9 . 1 1 13 13 LEU CB C 565 41.189 41.189 42.209 -1.020 18490
2018 1 9 . 1 1 13 13 LEU H H 565 7.362 7.362 8.676 -1.314 18490
2019 1 9 . 1 1 14 14 TYR N N 566 131.717 131.717 126.611 5.106 18490
2020 1 9 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.631 0.178 18490
2021 1 9 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.142 -4.646 18490
2022 1 9 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.635 -6.786 18490
2023 1 9 . 1 1 14 14 TYR H H 566 9.326 9.326 8.798 0.528 18490
2024 1 9 . 1 1 15 15 TRP N N 567 128.045 128.045 119.485 8.560 18490
2025 1 9 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.794 -0.859 18490
2026 1 9 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.956 -2.179 18490
2027 1 9 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.416 -3.995 18490
2028 1 9 . 1 1 15 15 TRP H H 567 8.312 8.312 7.346 0.966 18490
2029 1 9 . 1 1 16 16 GLU N N 568 116.959 116.959 122.420 -5.461 18490
2030 1 9 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.411 -0.672 18490
2031 1 9 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.475 -1.412 18490
2032 1 9 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.769 -1.822 18490
2033 1 9 . 1 1 16 16 GLU H H 568 3.785 3.785 6.488 -2.703 18490
2034 1 9 . 1 1 17 17 ASP N N 569 111.935 111.935 115.026 -3.091 18490
2035 1 9 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.489 -0.097 18490
2036 1 9 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.192 -4.042 18490
2037 1 9 . 1 1 17 17 ASP CB C 569 38.739 38.739 39.976 -1.237 18490
2038 1 9 . 1 1 17 17 ASP H H 569 6.511 6.511 7.677 -1.166 18490
2039 1 9 . 1 1 18 18 ASN N N 570 116.485 116.485 116.460 0.025 18490
2040 1 9 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.375 -0.473 18490
2041 1 9 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.283 -2.062 18490
2042 1 9 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.811 -2.515 18490
2043 1 9 . 1 1 18 18 ASN H H 570 8.091 8.091 8.261 -0.170 18490
2044 1 9 . 1 1 19 19 LYS N N 571 116.593 116.593 118.150 -1.557 18490
2045 1 9 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.437 -0.075 18490
2046 1 9 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.621 -2.796 18490
2047 1 9 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.267 -2.031 18490
2048 1 9 . 1 1 19 19 LYS H H 571 7.514 7.514 7.793 -0.279 18490
2049 1 9 . 1 1 20 20 PHE N N 572 118.347 118.347 119.876 -1.529 18490
2050 1 9 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.828 0.037 18490
2051 1 9 . 1 1 20 20 PHE CA C 572 55.573 55.573 57.861 -2.288 18490
2052 1 9 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.320 -0.796 18490
2053 1 9 . 1 1 20 20 PHE H H 572 8.267 8.267 8.449 -0.182 18490
2054 1 9 . 1 1 21 21 TYR N N 573 117.867 117.867 122.940 -5.073 18490
2055 1 9 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.157 -0.208 18490
2056 1 9 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.583 -2.499 18490
2057 1 9 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.938 -1.739 18490
2058 1 9 . 1 1 21 21 TYR H H 573 8.726 8.726 9.353 -0.627 18490
2059 1 9 . 1 1 22 22 ARG N N 574 122.076 122.076 122.946 -0.870 18490
2060 1 9 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.152 0.023 18490
2061 1 9 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.937 -2.317 18490
2062 1 9 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.992 -2.220 18490
2063 1 9 . 1 1 22 22 ARG H H 574 9.110 9.110 9.220 -0.110 18490
2064 1 9 . 1 1 23 23 ALA N N 575 127.941 127.941 126.080 1.861 18490
2065 1 9 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.947 0.068 18490
2066 1 9 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.855 -2.366 18490
2067 1 9 . 1 1 23 23 ALA CB C 575 20.693 20.693 23.100 -2.407 18490
2068 1 9 . 1 1 23 23 ALA H H 575 9.307 9.307 9.019 0.288 18490
2069 1 9 . 1 1 24 24 GLU N N 576 118.347 118.347 123.743 -5.396 18490
2070 1 9 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.325 0.648 18490
2071 1 9 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.085 -3.892 18490
2072 1 9 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.298 0.682 18490
2073 1 9 . 1 1 24 24 GLU H H 576 8.267 8.267 8.521 -0.254 18490
2074 1 9 . 1 1 25 25 VAL N N 577 124.034 124.034 127.472 -3.438 18490
2075 1 9 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.523 -0.121 18490
2076 1 9 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.191 -2.007 18490
2077 1 9 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.879 -2.083 18490
2078 1 9 . 1 1 25 25 VAL H H 577 8.840 8.840 8.369 0.471 18490
2079 1 9 . 1 1 26 26 GLU N N 578 131.333 131.333 130.302 1.031 18490
2080 1 9 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.216 0.260 18490
2081 1 9 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.690 -2.489 18490
2082 1 9 . 1 1 26 26 GLU CB C 578 27.969 27.969 30.971 -3.002 18490
2083 1 9 . 1 1 26 26 GLU H H 578 9.368 9.368 8.635 0.733 18490
2084 1 9 . 1 1 27 27 ALA N N 579 117.488 117.488 121.085 -3.597 18490
2085 1 9 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.557 -0.243 18490
2086 1 9 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.260 -3.118 18490
2087 1 9 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.505 -0.942 18490
2088 1 9 . 1 1 27 27 ALA H H 579 7.681 7.681 7.816 -0.135 18490
2089 1 9 . 1 1 28 28 LEU N N 580 122.399 122.399 124.491 -2.092 18490
2090 1 9 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.737 -0.197 18490
2091 1 9 . 1 1 28 28 LEU CA C 580 50.734 50.734 53.822 -3.088 18490
2092 1 9 . 1 1 28 28 LEU CB C 580 39.607 39.607 44.675 -5.068 18490
2093 1 9 . 1 1 28 28 LEU H H 580 8.860 8.860 8.294 0.566 18490
2094 1 9 . 1 1 29 29 HIS N N 581 123.783 123.783 122.169 1.614 18490
2095 1 9 . 1 1 29 29 HIS H H 581 7.867 7.867 8.507 -0.640 18490
2096 1 9 . 1 1 30 30 SER N N 582 109.799 109.799 122.112 -12.313 18490
2097 1 9 . 1 1 30 30 SER H H 582 7.731 7.731 8.656 -0.925 18490
2098 1 9 . 1 1 31 31 SER HA H 583 4.191 4.191 4.385 -0.194 18490
2099 1 9 . 1 1 31 31 SER CA C 583 57.135 57.135 58.746 -1.611 18490
2100 1 9 . 1 1 31 31 SER CB C 583 61.202 61.202 62.520 -1.318 18490
2101 1 9 . 1 1 32 32 GLY N N 584 108.532 108.532 107.482 1.050 18490
2102 1 9 . 1 1 32 32 GLY CA C 584 43.284 43.284 44.517 -1.233 18490
2103 1 9 . 1 1 32 32 GLY H H 584 8.017 8.017 7.523 0.494 18490
2104 1 9 . 1 1 33 33 MET N N 585 113.817 113.817 118.942 -5.125 18490
2105 1 9 . 1 1 33 33 MET HA H 585 4.637 4.637 4.465 0.172 18490
2106 1 9 . 1 1 33 33 MET CA C 585 53.230 53.230 56.605 -3.374 18490
2107 1 9 . 1 1 33 33 MET CB C 585 31.595 31.595 32.969 -1.374 18490
2108 1 9 . 1 1 33 33 MET H H 585 8.057 8.057 8.403 -0.346 18490
2109 1 9 . 1 1 34 34 THR N N 586 107.993 107.993 107.096 0.897 18490
2110 1 9 . 1 1 34 34 THR HA H 586 3.936 3.936 4.736 -0.800 18490
2111 1 9 . 1 1 34 34 THR CA C 586 55.762 55.762 59.563 -3.801 18490
2112 1 9 . 1 1 34 34 THR CB C 586 70.532 70.532 71.625 -1.093 18490
2113 1 9 . 1 1 34 34 THR H H 586 7.014 7.014 7.386 -0.372 18490
2114 1 9 . 1 1 35 35 ALA N N 587 122.076 122.076 122.110 -0.034 18490
2115 1 9 . 1 1 35 35 ALA HA H 587 4.796 4.796 5.103 -0.307 18490
2116 1 9 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.576 -2.844 18490
2117 1 9 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.375 -2.462 18490
2118 1 9 . 1 1 35 35 ALA H H 587 9.110 9.110 8.372 0.738 18490
2119 1 9 . 1 1 36 36 VAL N N 588 120.263 120.263 121.939 -1.676 18490
2120 1 9 . 1 1 36 36 VAL HA H 588 4.674 4.674 5.198 -0.524 18490
2121 1 9 . 1 1 36 36 VAL CA C 588 59.314 59.314 59.934 -0.620 18490
2122 1 9 . 1 1 36 36 VAL CB C 588 29.945 29.945 33.732 -3.787 18490
2123 1 9 . 1 1 36 36 VAL H H 588 8.656 8.656 8.710 -0.054 18490
2124 1 9 . 1 1 37 37 VAL N N 589 120.768 120.768 120.649 0.119 18490
2125 1 9 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.620 0.253 18490
2126 1 9 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.192 -4.221 18490
2127 1 9 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.903 -3.319 18490
2128 1 9 . 1 1 37 37 VAL H H 589 9.082 9.082 8.432 0.650 18490
2129 1 9 . 1 1 38 38 LYS N N 590 121.105 121.105 125.029 -3.924 18490
2130 1 9 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.793 -0.368 18490
2131 1 9 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.337 -3.487 18490
2132 1 9 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.713 -1.161 18490
2133 1 9 . 1 1 38 38 LYS H H 590 8.534 8.534 8.300 0.234 18490
2134 1 9 . 1 1 39 39 PHE N N 591 126.314 126.314 126.753 -0.439 18490
2135 1 9 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.584 -0.259 18490
2136 1 9 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.943 -1.754 18490
2137 1 9 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.428 -2.728 18490
2138 1 9 . 1 1 39 39 PHE H H 591 8.511 8.511 8.267 0.244 18490
2139 1 9 . 1 1 40 40 ILE N N 592 124.308 124.308 121.756 2.552 18490
2140 1 9 . 1 1 40 40 ILE HA H 592 3.475 3.475 4.062 -0.587 18490
2141 1 9 . 1 1 40 40 ILE CA C 592 61.510 61.510 62.303 -0.793 18490
2142 1 9 . 1 1 40 40 ILE CB C 592 35.178 35.178 36.601 -1.423 18490
2143 1 9 . 1 1 40 40 ILE H H 592 7.677 7.677 8.458 -0.781 18490
2144 1 9 . 1 1 41 41 ASP N N 593 119.217 119.217 118.793 0.424 18490
2145 1 9 . 1 1 41 41 ASP H H 593 9.043 9.043 8.471 0.572 18490
2146 1 9 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.762 -0.079 18490
2147 1 9 . 1 1 43 43 GLY N N 595 106.446 106.446 109.966 -3.520 18490
2148 1 9 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.563 -2.427 18490
2149 1 9 . 1 1 43 43 GLY H H 595 8.036 8.036 8.925 -0.889 18490
2150 1 9 . 1 1 44 44 ASN N N 596 114.398 114.398 115.923 -1.525 18490
2151 1 9 . 1 1 44 44 ASN HA H 596 4.672 4.672 4.953 -0.281 18490
2152 1 9 . 1 1 44 44 ASN CA C 596 50.263 50.263 52.016 -1.753 18490
2153 1 9 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.392 -4.963 18490
2154 1 9 . 1 1 44 44 ASN H H 596 8.520 8.520 7.824 0.696 18490
2155 1 9 . 1 1 45 45 TYR N N 597 120.716 120.716 114.599 6.117 18490
2156 1 9 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.712 -0.128 18490
2157 1 9 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.951 -2.050 18490
2158 1 9 . 1 1 45 45 TYR CB C 597 37.432 37.432 40.928 -3.496 18490
2159 1 9 . 1 1 45 45 TYR H H 597 8.650 8.650 8.144 0.506 18490
2160 1 9 . 1 1 46 46 GLU N N 598 118.075 118.075 118.866 -0.791 18490
2161 1 9 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.698 0.170 18490
2162 1 9 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.499 -3.289 18490
2163 1 9 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.541 -0.300 18490
2164 1 9 . 1 1 46 46 GLU H H 598 8.822 8.822 8.626 0.196 18490
2165 1 9 . 1 1 47 47 GLU N N 599 122.692 122.692 119.740 2.952 18490
2166 1 9 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.999 0.016 18490
2167 1 9 . 1 1 47 47 GLU CA C 599 52.847 52.847 57.069 -4.222 18490
2168 1 9 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.095 -2.243 18490
2169 1 9 . 1 1 47 47 GLU H H 599 8.892 8.892 8.616 0.276 18490
2170 1 9 . 1 1 48 48 VAL N N 600 125.296 125.296 122.520 2.776 18490
2171 1 9 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.416 0.169 18490
2172 1 9 . 1 1 48 48 VAL CA C 600 56.932 56.932 61.100 -4.168 18490
2173 1 9 . 1 1 48 48 VAL CB C 600 33.645 33.645 35.339 -1.694 18490
2174 1 9 . 1 1 48 48 VAL H H 600 9.280 9.280 9.038 0.242 18490
2175 1 9 . 1 1 49 49 LEU N N 601 123.816 123.816 125.875 -2.059 18490
2176 1 9 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.223 0.126 18490
2177 1 9 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.418 -3.793 18490
2178 1 9 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.684 -2.850 18490
2179 1 9 . 1 1 49 49 LEU H H 601 8.628 8.628 8.548 0.080 18490
2180 1 9 . 1 1 50 50 LEU N N 602 123.131 123.131 124.650 -1.519 18490
2181 1 9 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.247 -0.518 18490
2182 1 9 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.289 -3.083 18490
2183 1 9 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.841 -3.259 18490
2184 1 9 . 1 1 50 50 LEU H H 602 8.183 8.183 8.432 -0.249 18490
2185 1 9 . 1 1 51 51 SER N N 603 109.799 109.799 109.570 0.229 18490
2186 1 9 . 1 1 51 51 SER HA H 603 4.228 4.228 4.344 -0.116 18490
2187 1 9 . 1 1 51 51 SER CA C 603 57.025 57.025 59.321 -2.296 18490
2188 1 9 . 1 1 51 51 SER CB C 603 59.696 59.696 62.677 -2.981 18490
2189 1 9 . 1 1 51 51 SER H H 603 7.731 7.731 8.595 -0.864 18490
2190 1 9 . 1 1 52 52 ASN N N 604 120.726 120.726 118.806 1.920 18490
2191 1 9 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.183 -0.049 18490
2192 1 9 . 1 1 52 52 ASN CA C 604 49.901 49.901 52.523 -2.622 18490
2193 1 9 . 1 1 52 52 ASN CB C 604 36.854 36.854 39.791 -2.937 18490
2194 1 9 . 1 1 52 52 ASN H H 604 7.952 7.952 8.072 -0.120 18490
2195 1 9 . 1 1 53 53 ILE N N 605 115.439 115.439 120.970 -5.531 18490
2196 1 9 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.079 -0.068 18490
2197 1 9 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.852 -3.091 18490
2198 1 9 . 1 1 53 53 ILE CB C 605 37.464 37.464 40.736 -3.272 18490
2199 1 9 . 1 1 53 53 ILE H H 605 7.162 7.162 7.514 -0.352 18490
2200 1 9 . 1 1 54 54 LYS N N 606 122.864 122.864 127.053 -4.189 18490
2201 1 9 . 1 1 54 54 LYS H H 606 9.245 9.245 9.324 -0.079 18490
2202 1 9 . 1 1 55 55 PRO HA H 607 4.870 4.870 5.049 -0.179 18490
2203 1 9 . 1 1 55 55 PRO CA C 607 59.942 59.942 62.633 -2.691 18490
2204 1 9 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.637 -2.657 18490
2205 1 9 . 1 1 56 56 ILE N N 608 118.715 118.715 119.308 -0.593 18490
2206 1 9 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.229 -0.319 18490
2207 1 9 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.669 -3.764 18490
2208 1 9 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.923 -3.959 18490
2209 1 9 . 1 1 56 56 ILE H H 608 8.363 8.363 8.769 -0.406 18490
2210 1 9 . 1 1 57 57 LEU N N 609 124.451 124.451 117.197 7.254 18490
2211 1 9 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.928 -0.677 18490
2212 1 9 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.120 -2.114 18490
2213 1 9 . 1 1 57 57 LEU CB C 609 39.827 39.827 44.420 -4.593 18490
2214 1 9 . 1 1 57 57 LEU H H 609 8.034 8.034 7.727 0.307 18490
2215 1 10 . 1 1 2 2 LYS N N 554 126.040 126.040 121.640 4.400 18490
2216 1 10 . 1 1 2 2 LYS H H 554 7.684 7.684 8.538 -0.854 18490
2217 1 10 . 1 1 3 3 MET HA H 555 4.538 4.538 4.519 0.019 18490
2218 1 10 . 1 1 3 3 MET CA C 555 51.252 51.252 54.561 -3.309 18490
2219 1 10 . 1 1 3 3 MET CB C 555 28.816 28.816 33.883 -5.067 18490
2220 1 10 . 1 1 4 4 TRP N N 556 124.579 124.579 122.414 2.165 18490
2221 1 10 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.533 0.019 18490
2222 1 10 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.491 -3.231 18490
2223 1 10 . 1 1 4 4 TRP CB C 556 29.299 29.299 29.779 -0.480 18490
2224 1 10 . 1 1 4 4 TRP H H 556 7.686 7.686 8.310 -0.624 18490
2225 1 10 . 1 1 5 5 LYS N N 557 120.748 120.748 119.800 0.948 18490
2226 1 10 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.982 -0.265 18490
2227 1 10 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.617 -4.123 18490
2228 1 10 . 1 1 5 5 LYS H H 557 8.983 8.983 8.299 0.684 18490
2229 1 10 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.330 -0.573 18490
2230 1 10 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.508 -2.535 18490
2231 1 10 . 1 1 6 6 PRO CB C 558 28.581 28.581 31.869 -3.288 18490
2232 1 10 . 1 1 7 7 GLY N N 559 114.722 114.722 110.753 3.969 18490
2233 1 10 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.014 -3.141 18490
2234 1 10 . 1 1 7 7 GLY H H 559 9.372 9.372 8.495 0.877 18490
2235 1 10 . 1 1 8 8 ASP N N 560 121.253 121.253 119.654 1.599 18490
2236 1 10 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.854 -0.332 18490
2237 1 10 . 1 1 8 8 ASP CA C 560 53.191 53.191 52.916 0.276 18490
2238 1 10 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.833 -4.604 18490
2239 1 10 . 1 1 8 8 ASP H H 560 7.875 7.875 7.638 0.237 18490
2240 1 10 . 1 1 9 9 GLU N N 561 121.105 121.105 119.688 1.417 18490
2241 1 10 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.754 0.068 18490
2242 1 10 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.038 -2.981 18490
2243 1 10 . 1 1 9 9 GLU CB C 561 28.765 28.765 31.980 -3.215 18490
2244 1 10 . 1 1 9 9 GLU H H 561 8.543 8.543 8.660 -0.117 18490
2245 1 10 . 1 1 10 10 CYS N N 562 115.944 115.944 120.747 -4.803 18490
2246 1 10 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.879 -0.025 18490
2247 1 10 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.639 -3.990 18490
2248 1 10 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.434 -2.651 18490
2249 1 10 . 1 1 10 10 CYS H H 562 8.627 8.627 9.136 -0.509 18490
2250 1 10 . 1 1 11 11 PHE N N 563 116.503 116.503 119.643 -3.140 18490
2251 1 10 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.192 -0.143 18490
2252 1 10 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.038 -1.897 18490
2253 1 10 . 1 1 11 11 PHE CB C 563 39.077 39.077 42.158 -3.081 18490
2254 1 10 . 1 1 11 11 PHE H H 563 8.936 8.936 9.202 -0.266 18490
2255 1 10 . 1 1 12 12 ALA N N 564 122.486 122.486 127.926 -5.440 18490
2256 1 10 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.216 0.188 18490
2257 1 10 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.130 -2.743 18490
2258 1 10 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.281 -0.192 18490
2259 1 10 . 1 1 12 12 ALA H H 564 9.195 9.195 9.275 -0.080 18490
2260 1 10 . 1 1 13 13 LEU N N 565 123.611 123.611 126.309 -2.698 18490
2261 1 10 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.135 -0.771 18490
2262 1 10 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.994 -2.525 18490
2263 1 10 . 1 1 13 13 LEU CB C 565 41.189 41.189 42.565 -1.376 18490
2264 1 10 . 1 1 13 13 LEU H H 565 7.362 7.362 8.812 -1.450 18490
2265 1 10 . 1 1 14 14 TYR N N 566 131.717 131.717 127.068 4.649 18490
2266 1 10 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.724 0.085 18490
2267 1 10 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.188 -4.692 18490
2268 1 10 . 1 1 14 14 TYR CB C 566 34.849 34.849 40.995 -6.146 18490
2269 1 10 . 1 1 14 14 TYR H H 566 9.326 9.326 8.463 0.863 18490
2270 1 10 . 1 1 15 15 TRP N N 567 128.045 128.045 121.152 6.893 18490
2271 1 10 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.671 -0.736 18490
2272 1 10 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.163 -2.386 18490
2273 1 10 . 1 1 15 15 TRP CB C 567 25.421 25.421 28.958 -3.537 18490
2274 1 10 . 1 1 15 15 TRP H H 567 8.312 8.312 7.121 1.191 18490
2275 1 10 . 1 1 16 16 GLU N N 568 116.959 116.959 120.863 -3.904 18490
2276 1 10 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.674 -0.935 18490
2277 1 10 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.475 -1.412 18490
2278 1 10 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.633 -1.686 18490
2279 1 10 . 1 1 16 16 GLU H H 568 3.785 3.785 5.946 -2.161 18490
2280 1 10 . 1 1 17 17 ASP N N 569 111.935 111.935 115.772 -3.837 18490
2281 1 10 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.529 -0.137 18490
2282 1 10 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.761 -4.611 18490
2283 1 10 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.510 -1.771 18490
2284 1 10 . 1 1 17 17 ASP H H 569 6.511 6.511 7.752 -1.241 18490
2285 1 10 . 1 1 18 18 ASN N N 570 116.485 116.485 117.299 -0.814 18490
2286 1 10 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.359 -0.457 18490
2287 1 10 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.242 -2.021 18490
2288 1 10 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.956 -2.660 18490
2289 1 10 . 1 1 18 18 ASN H H 570 8.091 8.091 8.246 -0.155 18490
2290 1 10 . 1 1 19 19 LYS N N 571 116.593 116.593 118.953 -2.360 18490
2291 1 10 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.513 -0.150 18490
2292 1 10 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.406 -2.581 18490
2293 1 10 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.424 -2.188 18490
2294 1 10 . 1 1 19 19 LYS H H 571 7.514 7.514 8.297 -0.783 18490
2295 1 10 . 1 1 20 20 PHE N N 572 118.347 118.347 120.021 -1.674 18490
2296 1 10 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.885 -0.020 18490
2297 1 10 . 1 1 20 20 PHE CA C 572 55.573 55.573 57.715 -2.142 18490
2298 1 10 . 1 1 20 20 PHE CB C 572 38.524 38.524 40.172 -1.648 18490
2299 1 10 . 1 1 20 20 PHE H H 572 8.267 8.267 8.622 -0.355 18490
2300 1 10 . 1 1 21 21 TYR N N 573 117.867 117.867 120.689 -2.822 18490
2301 1 10 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.074 -0.125 18490
2302 1 10 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.926 -2.842 18490
2303 1 10 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.578 -1.379 18490
2304 1 10 . 1 1 21 21 TYR H H 573 8.726 8.726 9.025 -0.299 18490
2305 1 10 . 1 1 22 22 ARG N N 574 122.076 122.076 121.415 0.661 18490
2306 1 10 . 1 1 22 22 ARG HA H 574 4.175 4.175 3.796 0.379 18490
2307 1 10 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.163 -2.543 18490
2308 1 10 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.888 -2.116 18490
2309 1 10 . 1 1 22 22 ARG H H 574 9.110 9.110 8.890 0.220 18490
2310 1 10 . 1 1 23 23 ALA N N 575 127.941 127.941 126.500 1.441 18490
2311 1 10 . 1 1 23 23 ALA HA H 575 5.014 5.014 5.045 -0.031 18490
2312 1 10 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.986 -2.498 18490
2313 1 10 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.892 -2.199 18490
2314 1 10 . 1 1 23 23 ALA H H 575 9.307 9.307 8.983 0.324 18490
2315 1 10 . 1 1 24 24 GLU N N 576 118.347 118.347 124.046 -5.699 18490
2316 1 10 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.535 0.438 18490
2317 1 10 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.973 -3.780 18490
2318 1 10 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.979 0.001 18490
2319 1 10 . 1 1 24 24 GLU H H 576 8.267 8.267 8.651 -0.384 18490
2320 1 10 . 1 1 25 25 VAL N N 577 124.034 124.034 125.312 -1.278 18490
2321 1 10 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.593 -0.191 18490
2322 1 10 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.287 -2.103 18490
2323 1 10 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.299 -2.503 18490
2324 1 10 . 1 1 25 25 VAL H H 577 8.840 8.840 8.513 0.327 18490
2325 1 10 . 1 1 26 26 GLU N N 578 131.333 131.333 130.180 1.153 18490
2326 1 10 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.236 0.240 18490
2327 1 10 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.439 -2.238 18490
2328 1 10 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.453 -3.484 18490
2329 1 10 . 1 1 26 26 GLU H H 578 9.368 9.368 8.573 0.795 18490
2330 1 10 . 1 1 27 27 ALA N N 579 117.488 117.488 122.566 -5.078 18490
2331 1 10 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.683 -0.369 18490
2332 1 10 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.150 -3.008 18490
2333 1 10 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.437 -0.874 18490
2334 1 10 . 1 1 27 27 ALA H H 579 7.681 7.681 7.909 -0.228 18490
2335 1 10 . 1 1 28 28 LEU N N 580 122.399 122.399 126.212 -3.813 18490
2336 1 10 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.698 -0.158 18490
2337 1 10 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.008 -3.274 18490
2338 1 10 . 1 1 28 28 LEU CB C 580 39.607 39.607 41.626 -2.019 18490
2339 1 10 . 1 1 28 28 LEU H H 580 8.860 8.860 8.477 0.383 18490
2340 1 10 . 1 1 29 29 HIS N N 581 123.783 123.783 123.558 0.225 18490
2341 1 10 . 1 1 29 29 HIS H H 581 7.867 7.867 8.632 -0.765 18490
2342 1 10 . 1 1 30 30 SER N N 582 109.799 109.799 117.296 -7.497 18490
2343 1 10 . 1 1 30 30 SER H H 582 7.731 7.731 7.975 -0.244 18490
2344 1 10 . 1 1 31 31 SER HA H 583 4.191 4.191 4.142 0.049 18490
2345 1 10 . 1 1 31 31 SER CA C 583 57.135 57.135 59.919 -2.784 18490
2346 1 10 . 1 1 31 31 SER CB C 583 61.202 61.202 63.378 -2.176 18490
2347 1 10 . 1 1 32 32 GLY N N 584 108.532 108.532 108.133 0.399 18490
2348 1 10 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.764 -2.480 18490
2349 1 10 . 1 1 32 32 GLY H H 584 8.017 8.017 8.209 -0.192 18490
2350 1 10 . 1 1 33 33 MET N N 585 113.817 113.817 117.361 -3.544 18490
2351 1 10 . 1 1 33 33 MET HA H 585 4.637 4.637 4.651 -0.014 18490
2352 1 10 . 1 1 33 33 MET CA C 585 53.230 53.230 56.120 -2.890 18490
2353 1 10 . 1 1 33 33 MET CB C 585 31.595 31.595 32.686 -1.091 18490
2354 1 10 . 1 1 33 33 MET H H 585 8.057 8.057 7.973 0.084 18490
2355 1 10 . 1 1 34 34 THR N N 586 107.993 107.993 111.894 -3.901 18490
2356 1 10 . 1 1 34 34 THR HA H 586 3.936 3.936 5.112 -1.176 18490
2357 1 10 . 1 1 34 34 THR CA C 586 55.762 55.762 60.175 -4.413 18490
2358 1 10 . 1 1 34 34 THR CB C 586 70.532 70.532 71.775 -1.243 18490
2359 1 10 . 1 1 34 34 THR H H 586 7.014 7.014 7.513 -0.499 18490
2360 1 10 . 1 1 35 35 ALA N N 587 122.076 122.076 121.389 0.687 18490
2361 1 10 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.771 0.025 18490
2362 1 10 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.960 -3.228 18490
2363 1 10 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.119 -2.206 18490
2364 1 10 . 1 1 35 35 ALA H H 587 9.110 9.110 8.617 0.493 18490
2365 1 10 . 1 1 36 36 VAL N N 588 120.263 120.263 123.237 -2.974 18490
2366 1 10 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.943 -0.269 18490
2367 1 10 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.358 -2.044 18490
2368 1 10 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.895 -2.950 18490
2369 1 10 . 1 1 36 36 VAL H H 588 8.656 8.656 8.517 0.139 18490
2370 1 10 . 1 1 37 37 VAL N N 589 120.768 120.768 121.186 -0.418 18490
2371 1 10 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.684 0.189 18490
2372 1 10 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.292 -4.321 18490
2373 1 10 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.045 -2.461 18490
2374 1 10 . 1 1 37 37 VAL H H 589 9.082 9.082 8.799 0.283 18490
2375 1 10 . 1 1 38 38 LYS N N 590 121.105 121.105 127.105 -6.000 18490
2376 1 10 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.787 -0.362 18490
2377 1 10 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.381 -3.531 18490
2378 1 10 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.526 -0.974 18490
2379 1 10 . 1 1 38 38 LYS H H 590 8.534 8.534 8.712 -0.178 18490
2380 1 10 . 1 1 39 39 PHE N N 591 126.314 126.314 126.307 0.007 18490
2381 1 10 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.588 -0.263 18490
2382 1 10 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.484 -2.295 18490
2383 1 10 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.789 -3.089 18490
2384 1 10 . 1 1 39 39 PHE H H 591 8.511 8.511 8.336 0.175 18490
2385 1 10 . 1 1 40 40 ILE N N 592 124.308 124.308 123.725 0.583 18490
2386 1 10 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.969 -0.494 18490
2387 1 10 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.913 -2.403 18490
2388 1 10 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.891 -2.713 18490
2389 1 10 . 1 1 40 40 ILE H H 592 7.677 7.677 8.233 -0.556 18490
2390 1 10 . 1 1 41 41 ASP N N 593 119.217 119.217 118.405 0.812 18490
2391 1 10 . 1 1 41 41 ASP H H 593 9.043 9.043 8.577 0.466 18490
2392 1 10 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.707 -0.024 18490
2393 1 10 . 1 1 43 43 GLY N N 595 106.446 106.446 106.651 -0.205 18490
2394 1 10 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.375 -2.239 18490
2395 1 10 . 1 1 43 43 GLY H H 595 8.036 8.036 8.475 -0.439 18490
2396 1 10 . 1 1 44 44 ASN N N 596 114.398 114.398 117.243 -2.845 18490
2397 1 10 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.395 -0.723 18490
2398 1 10 . 1 1 44 44 ASN CA C 596 50.263 50.263 52.105 -1.842 18490
2399 1 10 . 1 1 44 44 ASN CB C 596 35.429 35.429 42.038 -6.609 18490
2400 1 10 . 1 1 44 44 ASN H H 596 8.520 8.520 8.197 0.323 18490
2401 1 10 . 1 1 45 45 TYR N N 597 120.716 120.716 115.675 5.041 18490
2402 1 10 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.618 -0.034 18490
2403 1 10 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.381 -1.480 18490
2404 1 10 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.074 -3.642 18490
2405 1 10 . 1 1 45 45 TYR H H 597 8.650 8.650 8.319 0.331 18490
2406 1 10 . 1 1 46 46 GLU N N 598 118.075 118.075 118.117 -0.042 18490
2407 1 10 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.634 0.234 18490
2408 1 10 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.852 -3.642 18490
2409 1 10 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.409 -0.168 18490
2410 1 10 . 1 1 46 46 GLU H H 598 8.822 8.822 8.576 0.246 18490
2411 1 10 . 1 1 47 47 GLU N N 599 122.692 122.692 121.139 1.553 18490
2412 1 10 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.898 0.117 18490
2413 1 10 . 1 1 47 47 GLU CA C 599 52.847 52.847 55.447 -2.600 18490
2414 1 10 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.509 -2.657 18490
2415 1 10 . 1 1 47 47 GLU H H 599 8.892 8.892 8.592 0.300 18490
2416 1 10 . 1 1 48 48 VAL N N 600 125.296 125.296 119.432 5.864 18490
2417 1 10 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.346 0.239 18490
2418 1 10 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.459 -3.527 18490
2419 1 10 . 1 1 48 48 VAL CB C 600 33.645 33.645 35.778 -2.132 18490
2420 1 10 . 1 1 48 48 VAL H H 600 9.280 9.280 8.436 0.844 18490
2421 1 10 . 1 1 49 49 LEU N N 601 123.816 123.816 124.804 -0.988 18490
2422 1 10 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.364 -0.015 18490
2423 1 10 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.257 -3.632 18490
2424 1 10 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.450 -2.616 18490
2425 1 10 . 1 1 49 49 LEU H H 601 8.628 8.628 8.760 -0.132 18490
2426 1 10 . 1 1 50 50 LEU N N 602 123.131 123.131 128.007 -4.876 18490
2427 1 10 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.086 -0.357 18490
2428 1 10 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.824 -3.618 18490
2429 1 10 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.947 -3.365 18490
2430 1 10 . 1 1 50 50 LEU H H 602 8.183 8.183 8.399 -0.216 18490
2431 1 10 . 1 1 51 51 SER N N 603 109.799 109.799 109.967 -0.168 18490
2432 1 10 . 1 1 51 51 SER HA H 603 4.228 4.228 4.386 -0.158 18490
2433 1 10 . 1 1 51 51 SER CA C 603 57.025 57.025 59.872 -2.847 18490
2434 1 10 . 1 1 51 51 SER CB C 603 59.696 59.696 62.440 -2.744 18490
2435 1 10 . 1 1 51 51 SER H H 603 7.731 7.731 8.665 -0.934 18490
2436 1 10 . 1 1 52 52 ASN N N 604 120.726 120.726 117.912 2.814 18490
2437 1 10 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.140 -0.006 18490
2438 1 10 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.271 -3.370 18490
2439 1 10 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.837 -3.983 18490
2440 1 10 . 1 1 52 52 ASN H H 604 7.952 7.952 7.981 -0.029 18490
2441 1 10 . 1 1 53 53 ILE N N 605 115.439 115.439 121.562 -6.123 18490
2442 1 10 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.276 -0.265 18490
2443 1 10 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.773 -3.013 18490
2444 1 10 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.306 -1.842 18490
2445 1 10 . 1 1 53 53 ILE H H 605 7.162 7.162 8.140 -0.978 18490
2446 1 10 . 1 1 54 54 LYS N N 606 122.864 122.864 126.885 -4.021 18490
2447 1 10 . 1 1 54 54 LYS H H 606 9.245 9.245 9.254 -0.009 18490
2448 1 10 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.870 0.000 18490
2449 1 10 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.297 -3.355 18490
2450 1 10 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.380 -2.400 18490
2451 1 10 . 1 1 56 56 ILE N N 608 118.715 118.715 119.543 -0.828 18490
2452 1 10 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.435 -0.525 18490
2453 1 10 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.750 -3.845 18490
2454 1 10 . 1 1 56 56 ILE CB C 608 34.964 34.964 39.263 -4.299 18490
2455 1 10 . 1 1 56 56 ILE H H 608 8.363 8.363 8.622 -0.259 18490
2456 1 10 . 1 1 57 57 LEU N N 609 124.451 124.451 120.497 3.954 18490
2457 1 10 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.577 -0.326 18490
2458 1 10 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.835 -2.828 18490
2459 1 10 . 1 1 57 57 LEU CB C 609 39.827 39.827 43.230 -3.403 18490
2460 1 10 . 1 1 57 57 LEU H H 609 8.034 8.034 7.939 0.095 18490
2461 1 11 . 1 1 2 2 LYS N N 554 126.040 126.040 122.711 3.329 18490
2462 1 11 . 1 1 2 2 LYS H H 554 7.684 7.684 8.727 -1.043 18490
2463 1 11 . 1 1 3 3 MET HA H 555 4.538 4.538 4.260 0.278 18490
2464 1 11 . 1 1 3 3 MET CA C 555 51.252 51.252 57.683 -6.431 18490
2465 1 11 . 1 1 3 3 MET CB C 555 28.816 28.816 32.267 -3.451 18490
2466 1 11 . 1 1 4 4 TRP N N 556 124.579 124.579 119.480 5.099 18490
2467 1 11 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.242 0.310 18490
2468 1 11 . 1 1 4 4 TRP CA C 556 54.260 54.260 58.020 -3.760 18490
2469 1 11 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.011 -0.712 18490
2470 1 11 . 1 1 4 4 TRP H H 556 7.686 7.686 7.219 0.467 18490
2471 1 11 . 1 1 5 5 LYS N N 557 120.748 120.748 122.155 -1.407 18490
2472 1 11 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.681 0.036 18490
2473 1 11 . 1 1 5 5 LYS CA C 557 50.494 50.494 53.571 -3.077 18490
2474 1 11 . 1 1 5 5 LYS H H 557 8.983 8.983 8.671 0.312 18490
2475 1 11 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.256 -0.499 18490
2476 1 11 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.025 -2.053 18490
2477 1 11 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.023 -3.442 18490
2478 1 11 . 1 1 7 7 GLY N N 559 114.722 114.722 110.863 3.859 18490
2479 1 11 . 1 1 7 7 GLY CA C 559 41.873 41.873 44.951 -3.078 18490
2480 1 11 . 1 1 7 7 GLY H H 559 9.372 9.372 8.267 1.105 18490
2481 1 11 . 1 1 8 8 ASP N N 560 121.253 121.253 120.387 0.866 18490
2482 1 11 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.836 -0.314 18490
2483 1 11 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.465 -0.274 18490
2484 1 11 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.038 -3.809 18490
2485 1 11 . 1 1 8 8 ASP H H 560 7.875 7.875 7.631 0.244 18490
2486 1 11 . 1 1 9 9 GLU N N 561 121.105 121.105 124.051 -2.946 18490
2487 1 11 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.223 0.599 18490
2488 1 11 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.345 -4.288 18490
2489 1 11 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.566 0.199 18490
2490 1 11 . 1 1 9 9 GLU H H 561 8.543 8.543 8.649 -0.106 18490
2491 1 11 . 1 1 10 10 CYS N N 562 115.944 115.944 121.842 -5.898 18490
2492 1 11 . 1 1 10 10 CYS HA H 562 4.854 4.854 5.178 -0.324 18490
2493 1 11 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.854 -4.205 18490
2494 1 11 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.592 -2.809 18490
2495 1 11 . 1 1 10 10 CYS H H 562 8.627 8.627 8.726 -0.099 18490
2496 1 11 . 1 1 11 11 PHE N N 563 116.503 116.503 119.046 -2.543 18490
2497 1 11 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.188 -0.139 18490
2498 1 11 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.989 -1.848 18490
2499 1 11 . 1 1 11 11 PHE CB C 563 39.077 39.077 42.725 -3.648 18490
2500 1 11 . 1 1 11 11 PHE H H 563 8.936 8.936 9.262 -0.326 18490
2501 1 11 . 1 1 12 12 ALA N N 564 122.486 122.486 126.652 -4.166 18490
2502 1 11 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.311 0.093 18490
2503 1 11 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.067 -2.680 18490
2504 1 11 . 1 1 12 12 ALA CB C 564 21.089 21.089 22.132 -1.043 18490
2505 1 11 . 1 1 12 12 ALA H H 564 9.195 9.195 9.559 -0.364 18490
2506 1 11 . 1 1 13 13 LEU N N 565 123.611 123.611 127.601 -3.990 18490
2507 1 11 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.175 -0.811 18490
2508 1 11 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.811 -2.342 18490
2509 1 11 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.522 -0.333 18490
2510 1 11 . 1 1 13 13 LEU H H 565 7.362 7.362 8.722 -1.360 18490
2511 1 11 . 1 1 14 14 TYR N N 566 131.717 131.717 127.710 4.007 18490
2512 1 11 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.515 0.294 18490
2513 1 11 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.537 -5.041 18490
2514 1 11 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.577 -6.728 18490
2515 1 11 . 1 1 14 14 TYR H H 566 9.326 9.326 8.923 0.403 18490
2516 1 11 . 1 1 15 15 TRP N N 567 128.045 128.045 119.634 8.411 18490
2517 1 11 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.725 -0.790 18490
2518 1 11 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.965 -2.188 18490
2519 1 11 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.605 -4.184 18490
2520 1 11 . 1 1 15 15 TRP H H 567 8.312 8.312 7.086 1.226 18490
2521 1 11 . 1 1 16 16 GLU N N 568 116.959 116.959 121.450 -4.491 18490
2522 1 11 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.771 -1.032 18490
2523 1 11 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.678 -1.615 18490
2524 1 11 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.858 -1.911 18490
2525 1 11 . 1 1 16 16 GLU H H 568 3.785 3.785 6.544 -2.759 18490
2526 1 11 . 1 1 17 17 ASP N N 569 111.935 111.935 115.541 -3.606 18490
2527 1 11 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.588 -0.196 18490
2528 1 11 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.341 -4.191 18490
2529 1 11 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.273 -1.534 18490
2530 1 11 . 1 1 17 17 ASP H H 569 6.511 6.511 7.748 -1.237 18490
2531 1 11 . 1 1 18 18 ASN N N 570 116.485 116.485 117.268 -0.783 18490
2532 1 11 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.467 -0.565 18490
2533 1 11 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.203 -1.982 18490
2534 1 11 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.776 -2.480 18490
2535 1 11 . 1 1 18 18 ASN H H 570 8.091 8.091 8.368 -0.277 18490
2536 1 11 . 1 1 19 19 LYS N N 571 116.593 116.593 118.390 -1.797 18490
2537 1 11 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.539 -0.177 18490
2538 1 11 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.064 -2.239 18490
2539 1 11 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.772 -2.536 18490
2540 1 11 . 1 1 19 19 LYS H H 571 7.514 7.514 7.790 -0.276 18490
2541 1 11 . 1 1 20 20 PHE N N 572 118.347 118.347 120.290 -1.943 18490
2542 1 11 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.866 -0.001 18490
2543 1 11 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.247 -2.674 18490
2544 1 11 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.864 -1.340 18490
2545 1 11 . 1 1 20 20 PHE H H 572 8.267 8.267 8.563 -0.296 18490
2546 1 11 . 1 1 21 21 TYR N N 573 117.867 117.867 119.920 -2.053 18490
2547 1 11 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.084 -0.135 18490
2548 1 11 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.793 -2.709 18490
2549 1 11 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.646 -1.447 18490
2550 1 11 . 1 1 21 21 TYR H H 573 8.726 8.726 9.246 -0.520 18490
2551 1 11 . 1 1 22 22 ARG N N 574 122.076 122.076 121.701 0.375 18490
2552 1 11 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.046 0.129 18490
2553 1 11 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.564 -1.944 18490
2554 1 11 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.624 -1.852 18490
2555 1 11 . 1 1 22 22 ARG H H 574 9.110 9.110 9.170 -0.060 18490
2556 1 11 . 1 1 23 23 ALA N N 575 127.941 127.941 126.406 1.535 18490
2557 1 11 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.924 0.090 18490
2558 1 11 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.970 -2.482 18490
2559 1 11 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.912 -2.219 18490
2560 1 11 . 1 1 23 23 ALA H H 575 9.307 9.307 9.050 0.257 18490
2561 1 11 . 1 1 24 24 GLU N N 576 118.347 118.347 125.210 -6.863 18490
2562 1 11 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.279 0.694 18490
2563 1 11 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.093 -3.900 18490
2564 1 11 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.191 0.789 18490
2565 1 11 . 1 1 24 24 GLU H H 576 8.267 8.267 8.319 -0.052 18490
2566 1 11 . 1 1 25 25 VAL N N 577 124.034 124.034 126.678 -2.644 18490
2567 1 11 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.511 -0.109 18490
2568 1 11 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.441 -2.257 18490
2569 1 11 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.067 -2.271 18490
2570 1 11 . 1 1 25 25 VAL H H 577 8.840 8.840 8.260 0.580 18490
2571 1 11 . 1 1 26 26 GLU N N 578 131.333 131.333 130.844 0.489 18490
2572 1 11 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.353 0.123 18490
2573 1 11 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.353 -2.152 18490
2574 1 11 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.580 -3.611 18490
2575 1 11 . 1 1 26 26 GLU H H 578 9.368 9.368 8.750 0.618 18490
2576 1 11 . 1 1 27 27 ALA N N 579 117.488 117.488 121.905 -4.417 18490
2577 1 11 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.550 -0.236 18490
2578 1 11 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.254 -3.112 18490
2579 1 11 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.418 -0.855 18490
2580 1 11 . 1 1 27 27 ALA H H 579 7.681 7.681 7.648 0.033 18490
2581 1 11 . 1 1 28 28 LEU N N 580 122.399 122.399 124.498 -2.099 18490
2582 1 11 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.691 -0.151 18490
2583 1 11 . 1 1 28 28 LEU CA C 580 50.734 50.734 53.470 -2.736 18490
2584 1 11 . 1 1 28 28 LEU CB C 580 39.607 39.607 41.194 -1.587 18490
2585 1 11 . 1 1 28 28 LEU H H 580 8.860 8.860 8.597 0.263 18490
2586 1 11 . 1 1 29 29 HIS N N 581 123.783 123.783 122.979 0.804 18490
2587 1 11 . 1 1 29 29 HIS H H 581 7.867 7.867 8.515 -0.648 18490
2588 1 11 . 1 1 30 30 SER N N 582 109.799 109.799 122.506 -12.707 18490
2589 1 11 . 1 1 30 30 SER H H 582 7.731 7.731 8.601 -0.870 18490
2590 1 11 . 1 1 31 31 SER HA H 583 4.191 4.191 4.468 -0.277 18490
2591 1 11 . 1 1 31 31 SER CA C 583 57.135 57.135 58.437 -1.302 18490
2592 1 11 . 1 1 31 31 SER CB C 583 61.202 61.202 61.760 -0.558 18490
2593 1 11 . 1 1 32 32 GLY N N 584 108.532 108.532 107.385 1.147 18490
2594 1 11 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.228 -1.944 18490
2595 1 11 . 1 1 32 32 GLY H H 584 8.017 8.017 7.569 0.448 18490
2596 1 11 . 1 1 33 33 MET N N 585 113.817 113.817 119.357 -5.540 18490
2597 1 11 . 1 1 33 33 MET HA H 585 4.637 4.637 4.485 0.152 18490
2598 1 11 . 1 1 33 33 MET CA C 585 53.230 53.230 57.409 -4.179 18490
2599 1 11 . 1 1 33 33 MET CB C 585 31.595 31.595 33.097 -1.502 18490
2600 1 11 . 1 1 33 33 MET H H 585 8.057 8.057 8.572 -0.515 18490
2601 1 11 . 1 1 34 34 THR N N 586 107.993 107.993 106.389 1.604 18490
2602 1 11 . 1 1 34 34 THR HA H 586 3.936 3.936 4.857 -0.921 18490
2603 1 11 . 1 1 34 34 THR CA C 586 55.762 55.762 60.279 -4.517 18490
2604 1 11 . 1 1 34 34 THR CB C 586 70.532 70.532 72.322 -1.790 18490
2605 1 11 . 1 1 34 34 THR H H 586 7.014 7.014 7.456 -0.442 18490
2606 1 11 . 1 1 35 35 ALA N N 587 122.076 122.076 121.493 0.583 18490
2607 1 11 . 1 1 35 35 ALA HA H 587 4.796 4.796 5.014 -0.218 18490
2608 1 11 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.928 -3.196 18490
2609 1 11 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.369 -2.456 18490
2610 1 11 . 1 1 35 35 ALA H H 587 9.110 9.110 8.907 0.203 18490
2611 1 11 . 1 1 36 36 VAL N N 588 120.263 120.263 123.658 -3.395 18490
2612 1 11 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.836 -0.162 18490
2613 1 11 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.421 -2.107 18490
2614 1 11 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.682 -2.737 18490
2615 1 11 . 1 1 36 36 VAL H H 588 8.656 8.656 8.342 0.314 18490
2616 1 11 . 1 1 37 37 VAL N N 589 120.768 120.768 121.426 -0.658 18490
2617 1 11 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.448 0.425 18490
2618 1 11 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.915 -4.944 18490
2619 1 11 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.965 -3.381 18490
2620 1 11 . 1 1 37 37 VAL H H 589 9.082 9.082 8.613 0.469 18490
2621 1 11 . 1 1 38 38 LYS N N 590 121.105 121.105 126.853 -5.748 18490
2622 1 11 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.727 -0.302 18490
2623 1 11 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.822 -3.972 18490
2624 1 11 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.373 -0.821 18490
2625 1 11 . 1 1 38 38 LYS H H 590 8.534 8.534 7.851 0.683 18490
2626 1 11 . 1 1 39 39 PHE N N 591 126.314 126.314 126.808 -0.494 18490
2627 1 11 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.671 -0.346 18490
2628 1 11 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.496 -1.307 18490
2629 1 11 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.281 -2.581 18490
2630 1 11 . 1 1 39 39 PHE H H 591 8.511 8.511 7.927 0.584 18490
2631 1 11 . 1 1 40 40 ILE N N 592 124.308 124.308 122.770 1.538 18490
2632 1 11 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.814 -0.339 18490
2633 1 11 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.516 -2.006 18490
2634 1 11 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.256 -2.078 18490
2635 1 11 . 1 1 40 40 ILE H H 592 7.677 7.677 8.125 -0.448 18490
2636 1 11 . 1 1 41 41 ASP N N 593 119.217 119.217 117.779 1.438 18490
2637 1 11 . 1 1 41 41 ASP H H 593 9.043 9.043 8.282 0.761 18490
2638 1 11 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.746 -0.063 18490
2639 1 11 . 1 1 43 43 GLY N N 595 106.446 106.446 108.396 -1.950 18490
2640 1 11 . 1 1 43 43 GLY CA C 595 43.136 43.136 46.097 -2.961 18490
2641 1 11 . 1 1 43 43 GLY H H 595 8.036 8.036 8.420 -0.384 18490
2642 1 11 . 1 1 44 44 ASN N N 596 114.398 114.398 117.655 -3.257 18490
2643 1 11 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.255 -0.583 18490
2644 1 11 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.930 -1.667 18490
2645 1 11 . 1 1 44 44 ASN CB C 596 35.429 35.429 41.521 -6.092 18490
2646 1 11 . 1 1 44 44 ASN H H 596 8.520 8.520 8.172 0.348 18490
2647 1 11 . 1 1 45 45 TYR N N 597 120.716 120.716 116.695 4.021 18490
2648 1 11 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.354 0.230 18490
2649 1 11 . 1 1 45 45 TYR CA C 597 53.901 53.901 54.602 -0.701 18490
2650 1 11 . 1 1 45 45 TYR CB C 597 37.432 37.432 40.256 -2.824 18490
2651 1 11 . 1 1 45 45 TYR H H 597 8.650 8.650 8.385 0.265 18490
2652 1 11 . 1 1 46 46 GLU N N 598 118.075 118.075 117.152 0.923 18490
2653 1 11 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.624 0.244 18490
2654 1 11 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.789 -3.579 18490
2655 1 11 . 1 1 46 46 GLU CB C 598 32.241 32.241 31.949 0.292 18490
2656 1 11 . 1 1 46 46 GLU H H 598 8.822 8.822 8.468 0.354 18490
2657 1 11 . 1 1 47 47 GLU N N 599 122.692 122.692 120.361 2.331 18490
2658 1 11 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.607 0.408 18490
2659 1 11 . 1 1 47 47 GLU CA C 599 52.847 52.847 57.681 -4.834 18490
2660 1 11 . 1 1 47 47 GLU CB C 599 27.852 27.852 29.977 -2.125 18490
2661 1 11 . 1 1 47 47 GLU H H 599 8.892 8.892 8.606 0.286 18490
2662 1 11 . 1 1 48 48 VAL N N 600 125.296 125.296 123.636 1.660 18490
2663 1 11 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.496 0.089 18490
2664 1 11 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.467 -3.535 18490
2665 1 11 . 1 1 48 48 VAL CB C 600 33.645 33.645 35.347 -1.702 18490
2666 1 11 . 1 1 48 48 VAL H H 600 9.280 9.280 9.032 0.248 18490
2667 1 11 . 1 1 49 49 LEU N N 601 123.816 123.816 123.779 0.037 18490
2668 1 11 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.509 -0.160 18490
2669 1 11 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.221 -3.596 18490
2670 1 11 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.888 -3.054 18490
2671 1 11 . 1 1 49 49 LEU H H 601 8.628 8.628 8.613 0.015 18490
2672 1 11 . 1 1 50 50 LEU N N 602 123.131 123.131 124.841 -1.710 18490
2673 1 11 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.261 -0.532 18490
2674 1 11 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.547 -3.341 18490
2675 1 11 . 1 1 50 50 LEU CB C 602 38.582 38.582 42.156 -3.574 18490
2676 1 11 . 1 1 50 50 LEU H H 602 8.183 8.183 8.437 -0.254 18490
2677 1 11 . 1 1 51 51 SER N N 603 109.799 109.799 110.480 -0.681 18490
2678 1 11 . 1 1 51 51 SER HA H 603 4.228 4.228 4.553 -0.325 18490
2679 1 11 . 1 1 51 51 SER CA C 603 57.025 57.025 59.452 -2.427 18490
2680 1 11 . 1 1 51 51 SER CB C 603 59.696 59.696 62.609 -2.913 18490
2681 1 11 . 1 1 51 51 SER H H 603 7.731 7.731 8.730 -0.999 18490
2682 1 11 . 1 1 52 52 ASN N N 604 120.726 120.726 117.691 3.035 18490
2683 1 11 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.213 -0.079 18490
2684 1 11 . 1 1 52 52 ASN CA C 604 49.901 49.901 52.747 -2.846 18490
2685 1 11 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.489 -3.635 18490
2686 1 11 . 1 1 52 52 ASN H H 604 7.952 7.952 7.787 0.165 18490
2687 1 11 . 1 1 53 53 ILE N N 605 115.439 115.439 121.610 -6.171 18490
2688 1 11 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.107 -0.096 18490
2689 1 11 . 1 1 53 53 ILE CA C 605 57.761 57.761 61.037 -3.276 18490
2690 1 11 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.950 -2.486 18490
2691 1 11 . 1 1 53 53 ILE H H 605 7.162 7.162 7.689 -0.527 18490
2692 1 11 . 1 1 54 54 LYS N N 606 122.864 122.864 127.384 -4.520 18490
2693 1 11 . 1 1 54 54 LYS H H 606 9.245 9.245 9.387 -0.142 18490
2694 1 11 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.807 0.063 18490
2695 1 11 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.005 -3.063 18490
2696 1 11 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.553 -2.572 18490
2697 1 11 . 1 1 56 56 ILE N N 608 118.715 118.715 118.440 0.275 18490
2698 1 11 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.300 -0.390 18490
2699 1 11 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.663 -3.757 18490
2700 1 11 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.790 -3.826 18490
2701 1 11 . 1 1 56 56 ILE H H 608 8.363 8.363 8.746 -0.383 18490
2702 1 11 . 1 1 57 57 LEU N N 609 124.451 124.451 120.011 4.440 18490
2703 1 11 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.635 -0.384 18490
2704 1 11 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.453 -2.446 18490
2705 1 11 . 1 1 57 57 LEU CB C 609 39.827 39.827 44.375 -4.548 18490
2706 1 11 . 1 1 57 57 LEU H H 609 8.034 8.034 7.418 0.616 18490
2707 1 12 . 1 1 2 2 LYS N N 554 126.040 126.040 122.336 3.704 18490
2708 1 12 . 1 1 2 2 LYS H H 554 7.684 7.684 8.356 -0.672 18490
2709 1 12 . 1 1 3 3 MET HA H 555 4.538 4.538 4.723 -0.185 18490
2710 1 12 . 1 1 3 3 MET CA C 555 51.252 51.252 54.929 -3.677 18490
2711 1 12 . 1 1 3 3 MET CB C 555 28.816 28.816 34.188 -5.372 18490
2712 1 12 . 1 1 4 4 TRP N N 556 124.579 124.579 125.254 -0.675 18490
2713 1 12 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.768 -0.216 18490
2714 1 12 . 1 1 4 4 TRP CA C 556 54.260 54.260 56.744 -2.484 18490
2715 1 12 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.572 -1.273 18490
2716 1 12 . 1 1 4 4 TRP H H 556 7.686 7.686 8.547 -0.861 18490
2717 1 12 . 1 1 5 5 LYS N N 557 120.748 120.748 124.385 -3.637 18490
2718 1 12 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.725 -0.008 18490
2719 1 12 . 1 1 5 5 LYS CA C 557 50.494 50.494 53.204 -2.710 18490
2720 1 12 . 1 1 5 5 LYS H H 557 8.983 8.983 8.668 0.315 18490
2721 1 12 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.262 -0.505 18490
2722 1 12 . 1 1 6 6 PRO CA C 558 60.972 60.972 62.935 -1.963 18490
2723 1 12 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.083 -3.502 18490
2724 1 12 . 1 1 7 7 GLY N N 559 114.722 114.722 111.834 2.888 18490
2725 1 12 . 1 1 7 7 GLY CA C 559 41.873 41.873 44.922 -3.049 18490
2726 1 12 . 1 1 7 7 GLY H H 559 9.372 9.372 8.289 1.083 18490
2727 1 12 . 1 1 8 8 ASP N N 560 121.253 121.253 121.014 0.239 18490
2728 1 12 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.908 -0.386 18490
2729 1 12 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.633 -0.442 18490
2730 1 12 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.326 -4.097 18490
2731 1 12 . 1 1 8 8 ASP H H 560 7.875 7.875 7.699 0.176 18490
2732 1 12 . 1 1 9 9 GLU N N 561 121.105 121.105 123.444 -2.339 18490
2733 1 12 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.220 0.602 18490
2734 1 12 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.131 -4.074 18490
2735 1 12 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.464 0.301 18490
2736 1 12 . 1 1 9 9 GLU H H 561 8.543 8.543 8.630 -0.087 18490
2737 1 12 . 1 1 10 10 CYS N N 562 115.944 115.944 121.480 -5.536 18490
2738 1 12 . 1 1 10 10 CYS HA H 562 4.854 4.854 5.218 -0.364 18490
2739 1 12 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.260 -4.611 18490
2740 1 12 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.745 -2.962 18490
2741 1 12 . 1 1 10 10 CYS H H 562 8.627 8.627 8.729 -0.102 18490
2742 1 12 . 1 1 11 11 PHE N N 563 116.503 116.503 120.086 -3.583 18490
2743 1 12 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.158 -0.109 18490
2744 1 12 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.034 -1.893 18490
2745 1 12 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.694 -2.616 18490
2746 1 12 . 1 1 11 11 PHE H H 563 8.936 8.936 9.238 -0.302 18490
2747 1 12 . 1 1 12 12 ALA N N 564 122.486 122.486 127.788 -5.302 18490
2748 1 12 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.052 0.352 18490
2749 1 12 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.165 -2.778 18490
2750 1 12 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.897 -0.808 18490
2751 1 12 . 1 1 12 12 ALA H H 564 9.195 9.195 9.630 -0.435 18490
2752 1 12 . 1 1 13 13 LEU N N 565 123.611 123.611 126.947 -3.336 18490
2753 1 12 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.136 -0.772 18490
2754 1 12 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.739 -2.271 18490
2755 1 12 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.469 -0.280 18490
2756 1 12 . 1 1 13 13 LEU H H 565 7.362 7.362 8.544 -1.182 18490
2757 1 12 . 1 1 14 14 TYR N N 566 131.717 131.717 127.828 3.889 18490
2758 1 12 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.477 0.332 18490
2759 1 12 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.515 -6.019 18490
2760 1 12 . 1 1 14 14 TYR CB C 566 34.849 34.849 40.758 -5.909 18490
2761 1 12 . 1 1 14 14 TYR H H 566 9.326 9.326 8.888 0.438 18490
2762 1 12 . 1 1 15 15 TRP N N 567 128.045 128.045 120.065 7.980 18490
2763 1 12 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.672 -0.737 18490
2764 1 12 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.205 -2.428 18490
2765 1 12 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.192 -3.771 18490
2766 1 12 . 1 1 15 15 TRP H H 567 8.312 8.312 7.219 1.093 18490
2767 1 12 . 1 1 16 16 GLU N N 568 116.959 116.959 121.360 -4.401 18490
2768 1 12 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.877 -1.138 18490
2769 1 12 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.661 -1.598 18490
2770 1 12 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.945 -1.998 18490
2771 1 12 . 1 1 16 16 GLU H H 568 3.785 3.785 6.598 -2.813 18490
2772 1 12 . 1 1 17 17 ASP N N 569 111.935 111.935 115.299 -3.364 18490
2773 1 12 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.617 -0.225 18490
2774 1 12 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.272 -4.122 18490
2775 1 12 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.385 -1.645 18490
2776 1 12 . 1 1 17 17 ASP H H 569 6.511 6.511 7.690 -1.179 18490
2777 1 12 . 1 1 18 18 ASN N N 570 116.485 116.485 117.617 -1.132 18490
2778 1 12 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.341 -0.439 18490
2779 1 12 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.455 -2.234 18490
2780 1 12 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.875 -2.579 18490
2781 1 12 . 1 1 18 18 ASN H H 570 8.091 8.091 8.181 -0.090 18490
2782 1 12 . 1 1 19 19 LYS N N 571 116.593 116.593 117.965 -1.372 18490
2783 1 12 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.557 -0.195 18490
2784 1 12 . 1 1 19 19 LYS CA C 571 51.825 51.825 53.727 -1.901 18490
2785 1 12 . 1 1 19 19 LYS CB C 571 32.236 32.236 35.384 -3.148 18490
2786 1 12 . 1 1 19 19 LYS H H 571 7.514 7.514 7.699 -0.185 18490
2787 1 12 . 1 1 20 20 PHE N N 572 118.347 118.347 120.726 -2.379 18490
2788 1 12 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.896 -0.031 18490
2789 1 12 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.481 -2.908 18490
2790 1 12 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.617 -1.093 18490
2791 1 12 . 1 1 20 20 PHE H H 572 8.267 8.267 8.695 -0.428 18490
2792 1 12 . 1 1 21 21 TYR N N 573 117.867 117.867 123.796 -5.929 18490
2793 1 12 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.031 -0.082 18490
2794 1 12 . 1 1 21 21 TYR CA C 573 54.084 54.084 57.268 -3.184 18490
2795 1 12 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.505 -1.306 18490
2796 1 12 . 1 1 21 21 TYR H H 573 8.726 8.726 9.324 -0.598 18490
2797 1 12 . 1 1 22 22 ARG N N 574 122.076 122.076 122.212 -0.136 18490
2798 1 12 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.345 -0.170 18490
2799 1 12 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.050 -2.430 18490
2800 1 12 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.942 -2.170 18490
2801 1 12 . 1 1 22 22 ARG H H 574 9.110 9.110 9.133 -0.023 18490
2802 1 12 . 1 1 23 23 ALA N N 575 127.941 127.941 127.780 0.161 18490
2803 1 12 . 1 1 23 23 ALA HA H 575 5.014 5.014 5.117 -0.103 18490
2804 1 12 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.442 -1.954 18490
2805 1 12 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.988 -2.295 18490
2806 1 12 . 1 1 23 23 ALA H H 575 9.307 9.307 9.103 0.204 18490
2807 1 12 . 1 1 24 24 GLU N N 576 118.347 118.347 124.686 -6.339 18490
2808 1 12 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.369 0.604 18490
2809 1 12 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.588 -4.395 18490
2810 1 12 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.203 0.777 18490
2811 1 12 . 1 1 24 24 GLU H H 576 8.267 8.267 8.599 -0.332 18490
2812 1 12 . 1 1 25 25 VAL N N 577 124.034 124.034 127.071 -3.037 18490
2813 1 12 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.570 -0.168 18490
2814 1 12 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.724 -2.540 18490
2815 1 12 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.982 -2.186 18490
2816 1 12 . 1 1 25 25 VAL H H 577 8.840 8.840 8.671 0.169 18490
2817 1 12 . 1 1 26 26 GLU N N 578 131.333 131.333 130.695 0.638 18490
2818 1 12 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.374 0.102 18490
2819 1 12 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.243 -2.042 18490
2820 1 12 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.816 -3.847 18490
2821 1 12 . 1 1 26 26 GLU H H 578 9.368 9.368 8.846 0.522 18490
2822 1 12 . 1 1 27 27 ALA N N 579 117.488 117.488 122.025 -4.537 18490
2823 1 12 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.512 -0.198 18490
2824 1 12 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.209 -3.067 18490
2825 1 12 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.455 -0.892 18490
2826 1 12 . 1 1 27 27 ALA H H 579 7.681 7.681 7.833 -0.152 18490
2827 1 12 . 1 1 28 28 LEU N N 580 122.399 122.399 125.744 -3.345 18490
2828 1 12 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.721 -0.181 18490
2829 1 12 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.623 -3.889 18490
2830 1 12 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.805 -1.198 18490
2831 1 12 . 1 1 28 28 LEU H H 580 8.860 8.860 8.644 0.216 18490
2832 1 12 . 1 1 29 29 HIS N N 581 123.783 123.783 121.675 2.108 18490
2833 1 12 . 1 1 29 29 HIS H H 581 7.867 7.867 8.478 -0.611 18490
2834 1 12 . 1 1 30 30 SER N N 582 109.799 109.799 116.787 -6.988 18490
2835 1 12 . 1 1 30 30 SER H H 582 7.731 7.731 8.798 -1.067 18490
2836 1 12 . 1 1 31 31 SER HA H 583 4.191 4.191 3.567 0.624 18490
2837 1 12 . 1 1 31 31 SER CA C 583 57.135 57.135 59.271 -2.136 18490
2838 1 12 . 1 1 31 31 SER CB C 583 61.202 61.202 62.379 -1.177 18490
2839 1 12 . 1 1 32 32 GLY N N 584 108.532 108.532 107.771 0.761 18490
2840 1 12 . 1 1 32 32 GLY CA C 584 43.284 43.284 46.120 -2.837 18490
2841 1 12 . 1 1 32 32 GLY H H 584 8.017 8.017 8.038 -0.021 18490
2842 1 12 . 1 1 33 33 MET N N 585 113.817 113.817 118.594 -4.777 18490
2843 1 12 . 1 1 33 33 MET HA H 585 4.637 4.637 4.864 -0.227 18490
2844 1 12 . 1 1 33 33 MET CA C 585 53.230 53.230 56.152 -2.922 18490
2845 1 12 . 1 1 33 33 MET CB C 585 31.595 31.595 34.912 -3.317 18490
2846 1 12 . 1 1 33 33 MET H H 585 8.057 8.057 8.261 -0.204 18490
2847 1 12 . 1 1 34 34 THR N N 586 107.993 107.993 111.598 -3.605 18490
2848 1 12 . 1 1 34 34 THR HA H 586 3.936 3.936 4.788 -0.852 18490
2849 1 12 . 1 1 34 34 THR CA C 586 55.762 55.762 60.343 -4.581 18490
2850 1 12 . 1 1 34 34 THR CB C 586 70.532 70.532 70.445 0.087 18490
2851 1 12 . 1 1 34 34 THR H H 586 7.014 7.014 7.554 -0.540 18490
2852 1 12 . 1 1 35 35 ALA N N 587 122.076 122.076 122.257 -0.181 18490
2853 1 12 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.695 0.101 18490
2854 1 12 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.230 -3.498 18490
2855 1 12 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.494 -2.581 18490
2856 1 12 . 1 1 35 35 ALA H H 587 9.110 9.110 8.924 0.186 18490
2857 1 12 . 1 1 36 36 VAL N N 588 120.263 120.263 123.918 -3.655 18490
2858 1 12 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.726 -0.052 18490
2859 1 12 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.156 -1.842 18490
2860 1 12 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.497 -2.552 18490
2861 1 12 . 1 1 36 36 VAL H H 588 8.656 8.656 8.359 0.297 18490
2862 1 12 . 1 1 37 37 VAL N N 589 120.768 120.768 121.970 -1.202 18490
2863 1 12 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.632 0.241 18490
2864 1 12 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.938 -4.967 18490
2865 1 12 . 1 1 37 37 VAL CB C 589 31.584 31.584 35.151 -3.567 18490
2866 1 12 . 1 1 37 37 VAL H H 589 9.082 9.082 8.324 0.758 18490
2867 1 12 . 1 1 38 38 LYS N N 590 121.105 121.105 126.995 -5.890 18490
2868 1 12 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.870 -0.445 18490
2869 1 12 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.509 -3.659 18490
2870 1 12 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.325 -0.773 18490
2871 1 12 . 1 1 38 38 LYS H H 590 8.534 8.534 8.716 -0.182 18490
2872 1 12 . 1 1 39 39 PHE N N 591 126.314 126.314 126.968 -0.654 18490
2873 1 12 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.593 -0.268 18490
2874 1 12 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.743 -1.554 18490
2875 1 12 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.842 -2.142 18490
2876 1 12 . 1 1 39 39 PHE H H 591 8.511 8.511 8.111 0.400 18490
2877 1 12 . 1 1 40 40 ILE N N 592 124.308 124.308 123.980 0.328 18490
2878 1 12 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.916 -0.441 18490
2879 1 12 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.589 -2.079 18490
2880 1 12 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.248 -2.070 18490
2881 1 12 . 1 1 40 40 ILE H H 592 7.677 7.677 8.513 -0.836 18490
2882 1 12 . 1 1 41 41 ASP N N 593 119.217 119.217 118.402 0.815 18490
2883 1 12 . 1 1 41 41 ASP H H 593 9.043 9.043 8.457 0.586 18490
2884 1 12 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.725 -0.042 18490
2885 1 12 . 1 1 43 43 GLY N N 595 106.446 106.446 110.372 -3.926 18490
2886 1 12 . 1 1 43 43 GLY CA C 595 43.136 43.136 46.448 -3.312 18490
2887 1 12 . 1 1 43 43 GLY H H 595 8.036 8.036 8.581 -0.545 18490
2888 1 12 . 1 1 44 44 ASN N N 596 114.398 114.398 114.819 -0.421 18490
2889 1 12 . 1 1 44 44 ASN HA H 596 4.672 4.672 4.952 -0.280 18490
2890 1 12 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.730 -1.466 18490
2891 1 12 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.551 -5.122 18490
2892 1 12 . 1 1 44 44 ASN H H 596 8.520 8.520 7.717 0.803 18490
2893 1 12 . 1 1 45 45 TYR N N 597 120.716 120.716 113.702 7.014 18490
2894 1 12 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.556 0.028 18490
2895 1 12 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.802 -1.901 18490
2896 1 12 . 1 1 45 45 TYR CB C 597 37.432 37.432 40.904 -3.472 18490
2897 1 12 . 1 1 45 45 TYR H H 597 8.650 8.650 8.049 0.601 18490
2898 1 12 . 1 1 46 46 GLU N N 598 118.075 118.075 120.515 -2.440 18490
2899 1 12 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.672 0.196 18490
2900 1 12 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.276 -3.067 18490
2901 1 12 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.918 -0.677 18490
2902 1 12 . 1 1 46 46 GLU H H 598 8.822 8.822 8.629 0.193 18490
2903 1 12 . 1 1 47 47 GLU N N 599 122.692 122.692 121.567 1.125 18490
2904 1 12 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.738 0.277 18490
2905 1 12 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.589 -3.742 18490
2906 1 12 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.261 -2.409 18490
2907 1 12 . 1 1 47 47 GLU H H 599 8.892 8.892 8.574 0.318 18490
2908 1 12 . 1 1 48 48 VAL N N 600 125.296 125.296 121.311 3.985 18490
2909 1 12 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.372 0.213 18490
2910 1 12 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.329 -3.397 18490
2911 1 12 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.200 -2.555 18490
2912 1 12 . 1 1 48 48 VAL H H 600 9.280 9.280 8.496 0.784 18490
2913 1 12 . 1 1 49 49 LEU N N 601 123.816 123.816 124.025 -0.209 18490
2914 1 12 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.283 0.066 18490
2915 1 12 . 1 1 49 49 LEU CA C 601 52.625 52.625 55.815 -3.190 18490
2916 1 12 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.475 -2.641 18490
2917 1 12 . 1 1 49 49 LEU H H 601 8.628 8.628 8.648 -0.020 18490
2918 1 12 . 1 1 50 50 LEU N N 602 123.131 123.131 125.579 -2.448 18490
2919 1 12 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.091 -0.362 18490
2920 1 12 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.229 -3.023 18490
2921 1 12 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.760 -3.178 18490
2922 1 12 . 1 1 50 50 LEU H H 602 8.183 8.183 8.511 -0.328 18490
2923 1 12 . 1 1 51 51 SER N N 603 109.799 109.799 111.931 -2.132 18490
2924 1 12 . 1 1 51 51 SER HA H 603 4.228 4.228 4.563 -0.335 18490
2925 1 12 . 1 1 51 51 SER CA C 603 57.025 57.025 59.522 -2.497 18490
2926 1 12 . 1 1 51 51 SER CB C 603 59.696 59.696 63.087 -3.391 18490
2927 1 12 . 1 1 51 51 SER H H 603 7.731 7.731 8.488 -0.757 18490
2928 1 12 . 1 1 52 52 ASN N N 604 120.726 120.726 119.546 1.180 18490
2929 1 12 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.059 0.075 18490
2930 1 12 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.006 -3.105 18490
2931 1 12 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.136 -3.282 18490
2932 1 12 . 1 1 52 52 ASN H H 604 7.952 7.952 8.070 -0.118 18490
2933 1 12 . 1 1 53 53 ILE N N 605 115.439 115.439 120.342 -4.903 18490
2934 1 12 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.225 -0.214 18490
2935 1 12 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.903 -3.142 18490
2936 1 12 . 1 1 53 53 ILE CB C 605 37.464 37.464 40.157 -2.693 18490
2937 1 12 . 1 1 53 53 ILE H H 605 7.162 7.162 7.654 -0.492 18490
2938 1 12 . 1 1 54 54 LYS N N 606 122.864 122.864 125.510 -2.646 18490
2939 1 12 . 1 1 54 54 LYS H H 606 9.245 9.245 9.606 -0.361 18490
2940 1 12 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.724 0.146 18490
2941 1 12 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.206 -3.264 18490
2942 1 12 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.582 -2.602 18490
2943 1 12 . 1 1 56 56 ILE N N 608 118.715 118.715 120.566 -1.851 18490
2944 1 12 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.278 -0.368 18490
2945 1 12 . 1 1 56 56 ILE CA C 608 58.905 58.905 63.050 -4.146 18490
2946 1 12 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.973 -4.009 18490
2947 1 12 . 1 1 56 56 ILE H H 608 8.363 8.363 8.882 -0.519 18490
2948 1 12 . 1 1 57 57 LEU N N 609 124.451 124.451 116.997 7.454 18490
2949 1 12 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.735 -0.484 18490
2950 1 12 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.568 -2.561 18490
2951 1 12 . 1 1 57 57 LEU CB C 609 39.827 39.827 43.805 -3.978 18490
2952 1 12 . 1 1 57 57 LEU H H 609 8.034 8.034 7.543 0.491 18490
2953 1 13 . 1 1 2 2 LYS N N 554 126.040 126.040 123.202 2.838 18490
2954 1 13 . 1 1 2 2 LYS H H 554 7.684 7.684 8.448 -0.764 18490
2955 1 13 . 1 1 3 3 MET HA H 555 4.538 4.538 4.695 -0.157 18490
2956 1 13 . 1 1 3 3 MET CA C 555 51.252 51.252 54.997 -3.745 18490
2957 1 13 . 1 1 3 3 MET CB C 555 28.816 28.816 34.435 -5.619 18490
2958 1 13 . 1 1 4 4 TRP N N 556 124.579 124.579 119.472 5.107 18490
2959 1 13 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.923 -0.371 18490
2960 1 13 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.100 -2.840 18490
2961 1 13 . 1 1 4 4 TRP CB C 556 29.299 29.299 32.885 -3.586 18490
2962 1 13 . 1 1 4 4 TRP H H 556 7.686 7.686 8.546 -0.860 18490
2963 1 13 . 1 1 5 5 LYS N N 557 120.748 120.748 120.126 0.622 18490
2964 1 13 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.955 -0.238 18490
2965 1 13 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.317 -3.823 18490
2966 1 13 . 1 1 5 5 LYS H H 557 8.983 8.983 8.653 0.330 18490
2967 1 13 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.230 -0.473 18490
2968 1 13 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.279 -2.307 18490
2969 1 13 . 1 1 6 6 PRO CB C 558 28.581 28.581 31.853 -3.272 18490
2970 1 13 . 1 1 7 7 GLY N N 559 114.722 114.722 112.674 2.048 18490
2971 1 13 . 1 1 7 7 GLY CA C 559 41.873 41.873 44.692 -2.819 18490
2972 1 13 . 1 1 7 7 GLY H H 559 9.372 9.372 8.275 1.097 18490
2973 1 13 . 1 1 8 8 ASP N N 560 121.253 121.253 121.038 0.215 18490
2974 1 13 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.858 -0.336 18490
2975 1 13 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.926 -0.735 18490
2976 1 13 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.539 -4.310 18490
2977 1 13 . 1 1 8 8 ASP H H 560 7.875 7.875 7.609 0.266 18490
2978 1 13 . 1 1 9 9 GLU N N 561 121.105 121.105 123.832 -2.727 18490
2979 1 13 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.254 0.568 18490
2980 1 13 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.105 -4.048 18490
2981 1 13 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.535 0.230 18490
2982 1 13 . 1 1 9 9 GLU H H 561 8.543 8.543 8.630 -0.087 18490
2983 1 13 . 1 1 10 10 CYS N N 562 115.944 115.944 122.231 -6.287 18490
2984 1 13 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.716 0.138 18490
2985 1 13 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.145 -4.496 18490
2986 1 13 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.573 -2.790 18490
2987 1 13 . 1 1 10 10 CYS H H 562 8.627 8.627 8.691 -0.064 18490
2988 1 13 . 1 1 11 11 PHE N N 563 116.503 116.503 120.332 -3.829 18490
2989 1 13 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.055 -0.006 18490
2990 1 13 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.034 -1.893 18490
2991 1 13 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.781 -2.704 18490
2992 1 13 . 1 1 11 11 PHE H H 563 8.936 8.936 9.111 -0.175 18490
2993 1 13 . 1 1 12 12 ALA N N 564 122.486 122.486 127.924 -5.438 18490
2994 1 13 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.059 0.345 18490
2995 1 13 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.167 -2.780 18490
2996 1 13 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.785 -0.696 18490
2997 1 13 . 1 1 12 12 ALA H H 564 9.195 9.195 9.540 -0.345 18490
2998 1 13 . 1 1 13 13 LEU N N 565 123.611 123.611 127.220 -3.609 18490
2999 1 13 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.379 -1.015 18490
3000 1 13 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.967 -2.498 18490
3001 1 13 . 1 1 13 13 LEU CB C 565 41.189 41.189 42.027 -0.838 18490
3002 1 13 . 1 1 13 13 LEU H H 565 7.362 7.362 8.796 -1.434 18490
3003 1 13 . 1 1 14 14 TYR N N 566 131.717 131.717 127.291 4.426 18490
3004 1 13 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.715 0.094 18490
3005 1 13 . 1 1 14 14 TYR CA C 566 52.496 52.496 56.783 -4.287 18490
3006 1 13 . 1 1 14 14 TYR CB C 566 34.849 34.849 42.536 -7.687 18490
3007 1 13 . 1 1 14 14 TYR H H 566 9.326 9.326 9.086 0.240 18490
3008 1 13 . 1 1 15 15 TRP N N 567 128.045 128.045 120.947 7.098 18490
3009 1 13 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.652 -0.717 18490
3010 1 13 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.647 -1.870 18490
3011 1 13 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.907 -4.486 18490
3012 1 13 . 1 1 15 15 TRP H H 567 8.312 8.312 6.950 1.361 18490
3013 1 13 . 1 1 16 16 GLU N N 568 116.959 116.959 118.416 -1.457 18490
3014 1 13 . 1 1 16 16 GLU HA H 568 2.739 2.739 2.524 0.215 18490
3015 1 13 . 1 1 16 16 GLU CA C 568 57.063 57.063 57.891 -0.828 18490
3016 1 13 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.736 -1.789 18490
3017 1 13 . 1 1 16 16 GLU H H 568 3.785 3.785 7.374 -3.589 18490
3018 1 13 . 1 1 17 17 ASP N N 569 111.935 111.935 116.059 -4.124 18490
3019 1 13 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.508 -0.116 18490
3020 1 13 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.241 -4.091 18490
3021 1 13 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.273 -1.534 18490
3022 1 13 . 1 1 17 17 ASP H H 569 6.511 6.511 7.584 -1.073 18490
3023 1 13 . 1 1 18 18 ASN N N 570 116.485 116.485 117.661 -1.176 18490
3024 1 13 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.447 -0.545 18490
3025 1 13 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.182 -1.961 18490
3026 1 13 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.933 -2.637 18490
3027 1 13 . 1 1 18 18 ASN H H 570 8.091 8.091 8.189 -0.098 18490
3028 1 13 . 1 1 19 19 LYS N N 571 116.593 116.593 119.072 -2.479 18490
3029 1 13 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.512 -0.150 18490
3030 1 13 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.404 -2.579 18490
3031 1 13 . 1 1 19 19 LYS CB C 571 32.236 32.236 35.135 -2.899 18490
3032 1 13 . 1 1 19 19 LYS H H 571 7.514 7.514 7.862 -0.348 18490
3033 1 13 . 1 1 20 20 PHE N N 572 118.347 118.347 119.160 -0.813 18490
3034 1 13 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.945 -0.080 18490
3035 1 13 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.719 -3.146 18490
3036 1 13 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.335 -0.811 18490
3037 1 13 . 1 1 20 20 PHE H H 572 8.267 8.267 8.438 -0.171 18490
3038 1 13 . 1 1 21 21 TYR N N 573 117.867 117.867 123.406 -5.539 18490
3039 1 13 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.118 -0.169 18490
3040 1 13 . 1 1 21 21 TYR CA C 573 54.084 54.084 57.140 -3.056 18490
3041 1 13 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.142 -0.943 18490
3042 1 13 . 1 1 21 21 TYR H H 573 8.726 8.726 9.653 -0.927 18490
3043 1 13 . 1 1 22 22 ARG N N 574 122.076 122.076 122.789 -0.713 18490
3044 1 13 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.089 0.086 18490
3045 1 13 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.572 -2.952 18490
3046 1 13 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.387 -2.615 18490
3047 1 13 . 1 1 22 22 ARG H H 574 9.110 9.110 9.205 -0.095 18490
3048 1 13 . 1 1 23 23 ALA N N 575 127.941 127.941 126.749 1.192 18490
3049 1 13 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.870 0.144 18490
3050 1 13 . 1 1 23 23 ALA CA C 575 48.488 48.488 51.100 -2.612 18490
3051 1 13 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.681 -1.988 18490
3052 1 13 . 1 1 23 23 ALA H H 575 9.307 9.307 8.944 0.363 18490
3053 1 13 . 1 1 24 24 GLU N N 576 118.347 118.347 124.912 -6.565 18490
3054 1 13 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.401 0.572 18490
3055 1 13 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.183 -3.990 18490
3056 1 13 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.801 0.179 18490
3057 1 13 . 1 1 24 24 GLU H H 576 8.267 8.267 8.635 -0.368 18490
3058 1 13 . 1 1 25 25 VAL N N 577 124.034 124.034 127.027 -2.993 18490
3059 1 13 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.536 -0.134 18490
3060 1 13 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.222 -2.038 18490
3061 1 13 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.777 -1.981 18490
3062 1 13 . 1 1 25 25 VAL H H 577 8.840 8.840 8.602 0.238 18490
3063 1 13 . 1 1 26 26 GLU N N 578 131.333 131.333 130.756 0.577 18490
3064 1 13 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.163 0.313 18490
3065 1 13 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.783 -2.582 18490
3066 1 13 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.047 -3.078 18490
3067 1 13 . 1 1 26 26 GLU H H 578 9.368 9.368 8.814 0.554 18490
3068 1 13 . 1 1 27 27 ALA N N 579 117.488 117.488 121.461 -3.973 18490
3069 1 13 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.426 -0.112 18490
3070 1 13 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.100 -2.958 18490
3071 1 13 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.390 -0.827 18490
3072 1 13 . 1 1 27 27 ALA H H 579 7.681 7.681 7.729 -0.048 18490
3073 1 13 . 1 1 28 28 LEU N N 580 122.399 122.399 124.834 -2.435 18490
3074 1 13 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.516 0.024 18490
3075 1 13 . 1 1 28 28 LEU CA C 580 50.734 50.734 53.669 -2.935 18490
3076 1 13 . 1 1 28 28 LEU CB C 580 39.607 39.607 43.105 -3.498 18490
3077 1 13 . 1 1 28 28 LEU H H 580 8.860 8.860 8.353 0.507 18490
3078 1 13 . 1 1 29 29 HIS N N 581 123.783 123.783 123.857 -0.074 18490
3079 1 13 . 1 1 29 29 HIS H H 581 7.867 7.867 8.320 -0.453 18490
3080 1 13 . 1 1 30 30 SER N N 582 109.799 109.799 116.500 -6.701 18490
3081 1 13 . 1 1 30 30 SER H H 582 7.731 7.731 8.590 -0.859 18490
3082 1 13 . 1 1 31 31 SER HA H 583 4.191 4.191 4.530 -0.339 18490
3083 1 13 . 1 1 31 31 SER CA C 583 57.135 57.135 57.913 -0.777 18490
3084 1 13 . 1 1 31 31 SER CB C 583 61.202 61.202 64.063 -2.861 18490
3085 1 13 . 1 1 32 32 GLY N N 584 108.532 108.532 112.512 -3.980 18490
3086 1 13 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.659 -2.375 18490
3087 1 13 . 1 1 32 32 GLY H H 584 8.017 8.017 8.170 -0.153 18490
3088 1 13 . 1 1 33 33 MET N N 585 113.817 113.817 117.402 -3.585 18490
3089 1 13 . 1 1 33 33 MET HA H 585 4.637 4.637 4.790 -0.153 18490
3090 1 13 . 1 1 33 33 MET CA C 585 53.230 53.230 56.134 -2.904 18490
3091 1 13 . 1 1 33 33 MET CB C 585 31.595 31.595 34.415 -2.820 18490
3092 1 13 . 1 1 33 33 MET H H 585 8.057 8.057 8.523 -0.466 18490
3093 1 13 . 1 1 34 34 THR N N 586 107.993 107.993 111.469 -3.476 18490
3094 1 13 . 1 1 34 34 THR HA H 586 3.936 3.936 5.151 -1.215 18490
3095 1 13 . 1 1 34 34 THR CA C 586 55.762 55.762 60.352 -4.590 18490
3096 1 13 . 1 1 34 34 THR CB C 586 70.532 70.532 72.210 -1.678 18490
3097 1 13 . 1 1 34 34 THR H H 586 7.014 7.014 7.643 -0.629 18490
3098 1 13 . 1 1 35 35 ALA N N 587 122.076 122.076 121.737 0.339 18490
3099 1 13 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.682 0.114 18490
3100 1 13 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.153 -3.421 18490
3101 1 13 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.344 -2.431 18490
3102 1 13 . 1 1 35 35 ALA H H 587 9.110 9.110 8.728 0.382 18490
3103 1 13 . 1 1 36 36 VAL N N 588 120.263 120.263 123.899 -3.636 18490
3104 1 13 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.795 -0.121 18490
3105 1 13 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.803 -2.489 18490
3106 1 13 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.493 -2.548 18490
3107 1 13 . 1 1 36 36 VAL H H 588 8.656 8.656 8.460 0.196 18490
3108 1 13 . 1 1 37 37 VAL N N 589 120.768 120.768 122.458 -1.690 18490
3109 1 13 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.516 0.357 18490
3110 1 13 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.084 -4.113 18490
3111 1 13 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.410 -2.826 18490
3112 1 13 . 1 1 37 37 VAL H H 589 9.082 9.082 8.592 0.490 18490
3113 1 13 . 1 1 38 38 LYS N N 590 121.105 121.105 124.897 -3.792 18490
3114 1 13 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.851 -0.426 18490
3115 1 13 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.178 -3.328 18490
3116 1 13 . 1 1 38 38 LYS CB C 590 32.552 32.552 34.468 -1.917 18490
3117 1 13 . 1 1 38 38 LYS H H 590 8.534 8.534 8.502 0.032 18490
3118 1 13 . 1 1 39 39 PHE N N 591 126.314 126.314 127.010 -0.696 18490
3119 1 13 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.619 -0.294 18490
3120 1 13 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.154 -1.965 18490
3121 1 13 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.235 -2.535 18490
3122 1 13 . 1 1 39 39 PHE H H 591 8.511 8.511 8.595 -0.084 18490
3123 1 13 . 1 1 40 40 ILE N N 592 124.308 124.308 124.548 -0.240 18490
3124 1 13 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.782 -0.307 18490
3125 1 13 . 1 1 40 40 ILE CA C 592 61.510 61.510 64.978 -3.467 18490
3126 1 13 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.822 -2.644 18490
3127 1 13 . 1 1 40 40 ILE H H 592 7.677 7.677 7.916 -0.239 18490
3128 1 13 . 1 1 41 41 ASP N N 593 119.217 119.217 117.335 1.882 18490
3129 1 13 . 1 1 41 41 ASP H H 593 9.043 9.043 8.645 0.398 18490
3130 1 13 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.750 -0.067 18490
3131 1 13 . 1 1 43 43 GLY N N 595 106.446 106.446 108.046 -1.600 18490
3132 1 13 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.406 -2.270 18490
3133 1 13 . 1 1 43 43 GLY H H 595 8.036 8.036 8.728 -0.692 18490
3134 1 13 . 1 1 44 44 ASN N N 596 114.398 114.398 117.825 -3.427 18490
3135 1 13 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.210 -0.538 18490
3136 1 13 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.943 -1.680 18490
3137 1 13 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.540 -5.111 18490
3138 1 13 . 1 1 44 44 ASN H H 596 8.520 8.520 8.124 0.396 18490
3139 1 13 . 1 1 45 45 TYR N N 597 120.716 120.716 114.261 6.455 18490
3140 1 13 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.814 -0.230 18490
3141 1 13 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.612 -1.711 18490
3142 1 13 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.183 -3.751 18490
3143 1 13 . 1 1 45 45 TYR H H 597 8.650 8.650 8.302 0.348 18490
3144 1 13 . 1 1 46 46 GLU N N 598 118.075 118.075 118.790 -0.715 18490
3145 1 13 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.624 0.244 18490
3146 1 13 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.793 -3.583 18490
3147 1 13 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.810 -0.569 18490
3148 1 13 . 1 1 46 46 GLU H H 598 8.822 8.822 8.786 0.036 18490
3149 1 13 . 1 1 47 47 GLU N N 599 122.692 122.692 122.200 0.492 18490
3150 1 13 . 1 1 47 47 GLU HA H 599 5.015 5.015 5.045 -0.030 18490
3151 1 13 . 1 1 47 47 GLU CA C 599 52.847 52.847 55.486 -2.639 18490
3152 1 13 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.129 -2.277 18490
3153 1 13 . 1 1 47 47 GLU H H 599 8.892 8.892 8.637 0.255 18490
3154 1 13 . 1 1 48 48 VAL N N 600 125.296 125.296 124.507 0.789 18490
3155 1 13 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.381 0.204 18490
3156 1 13 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.287 -3.355 18490
3157 1 13 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.184 -2.539 18490
3158 1 13 . 1 1 48 48 VAL H H 600 9.280 9.280 8.952 0.328 18490
3159 1 13 . 1 1 49 49 LEU N N 601 123.816 123.816 124.841 -1.025 18490
3160 1 13 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.531 -0.182 18490
3161 1 13 . 1 1 49 49 LEU CA C 601 52.625 52.625 55.560 -2.935 18490
3162 1 13 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.327 -2.493 18490
3163 1 13 . 1 1 49 49 LEU H H 601 8.628 8.628 8.702 -0.074 18490
3164 1 13 . 1 1 50 50 LEU N N 602 123.131 123.131 126.282 -3.151 18490
3165 1 13 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.161 -0.432 18490
3166 1 13 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.403 -3.197 18490
3167 1 13 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.714 -3.132 18490
3168 1 13 . 1 1 50 50 LEU H H 602 8.183 8.183 8.263 -0.080 18490
3169 1 13 . 1 1 51 51 SER N N 603 109.799 109.799 111.100 -1.301 18490
3170 1 13 . 1 1 51 51 SER HA H 603 4.228 4.228 4.555 -0.327 18490
3171 1 13 . 1 1 51 51 SER CA C 603 57.025 57.025 59.094 -2.069 18490
3172 1 13 . 1 1 51 51 SER CB C 603 59.696 59.696 62.874 -3.178 18490
3173 1 13 . 1 1 51 51 SER H H 603 7.731 7.731 8.449 -0.718 18490
3174 1 13 . 1 1 52 52 ASN N N 604 120.726 120.726 120.101 0.625 18490
3175 1 13 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.204 -0.070 18490
3176 1 13 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.163 -3.262 18490
3177 1 13 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.675 -3.821 18490
3178 1 13 . 1 1 52 52 ASN H H 604 7.952 7.952 8.145 -0.193 18490
3179 1 13 . 1 1 53 53 ILE N N 605 115.439 115.439 121.403 -5.964 18490
3180 1 13 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.178 -0.167 18490
3181 1 13 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.777 -3.016 18490
3182 1 13 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.692 -2.228 18490
3183 1 13 . 1 1 53 53 ILE H H 605 7.162 7.162 7.578 -0.416 18490
3184 1 13 . 1 1 54 54 LYS N N 606 122.864 122.864 127.294 -4.430 18490
3185 1 13 . 1 1 54 54 LYS H H 606 9.245 9.245 9.353 -0.108 18490
3186 1 13 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.801 0.069 18490
3187 1 13 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.024 -3.082 18490
3188 1 13 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.409 -2.429 18490
3189 1 13 . 1 1 56 56 ILE N N 608 118.715 118.715 120.564 -1.849 18490
3190 1 13 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.306 -0.396 18490
3191 1 13 . 1 1 56 56 ILE CA C 608 58.905 58.905 63.102 -4.197 18490
3192 1 13 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.982 -4.018 18490
3193 1 13 . 1 1 56 56 ILE H H 608 8.363 8.363 8.760 -0.397 18490
3194 1 13 . 1 1 57 57 LEU N N 609 124.451 124.451 120.525 3.926 18490
3195 1 13 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.675 -0.424 18490
3196 1 13 . 1 1 57 57 LEU CA C 609 52.007 52.007 55.131 -3.124 18490
3197 1 13 . 1 1 57 57 LEU CB C 609 39.827 39.827 43.788 -3.961 18490
3198 1 13 . 1 1 57 57 LEU H H 609 8.034 8.034 7.622 0.412 18490
3199 1 14 . 1 1 2 2 LYS N N 554 126.040 126.040 123.878 2.162 18490
3200 1 14 . 1 1 2 2 LYS H H 554 7.684 7.684 8.837 -1.153 18490
3201 1 14 . 1 1 3 3 MET HA H 555 4.538 4.538 4.456 0.082 18490
3202 1 14 . 1 1 3 3 MET CA C 555 51.252 51.252 54.431 -3.179 18490
3203 1 14 . 1 1 3 3 MET CB C 555 28.816 28.816 34.249 -5.433 18490
3204 1 14 . 1 1 4 4 TRP N N 556 124.579 124.579 121.905 2.674 18490
3205 1 14 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.687 -0.135 18490
3206 1 14 . 1 1 4 4 TRP CA C 556 54.260 54.260 56.961 -2.701 18490
3207 1 14 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.098 -0.799 18490
3208 1 14 . 1 1 4 4 TRP H H 556 7.686 7.686 8.192 -0.506 18490
3209 1 14 . 1 1 5 5 LYS N N 557 120.748 120.748 122.802 -2.054 18490
3210 1 14 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.638 0.079 18490
3211 1 14 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.027 -3.533 18490
3212 1 14 . 1 1 5 5 LYS H H 557 8.983 8.983 8.568 0.415 18490
3213 1 14 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.239 -0.482 18490
3214 1 14 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.264 -2.292 18490
3215 1 14 . 1 1 6 6 PRO CB C 558 28.581 28.581 31.984 -3.403 18490
3216 1 14 . 1 1 7 7 GLY N N 559 114.722 114.722 111.291 3.431 18490
3217 1 14 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.148 -3.275 18490
3218 1 14 . 1 1 7 7 GLY H H 559 9.372 9.372 8.101 1.271 18490
3219 1 14 . 1 1 8 8 ASP N N 560 121.253 121.253 120.920 0.333 18490
3220 1 14 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.806 -0.284 18490
3221 1 14 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.434 -0.242 18490
3222 1 14 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.795 -4.566 18490
3223 1 14 . 1 1 8 8 ASP H H 560 7.875 7.875 7.597 0.278 18490
3224 1 14 . 1 1 9 9 GLU N N 561 121.105 121.105 122.846 -1.741 18490
3225 1 14 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.520 0.302 18490
3226 1 14 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.905 -3.848 18490
3227 1 14 . 1 1 9 9 GLU CB C 561 28.765 28.765 29.287 -0.522 18490
3228 1 14 . 1 1 9 9 GLU H H 561 8.543 8.543 8.515 0.028 18490
3229 1 14 . 1 1 10 10 CYS N N 562 115.944 115.944 121.224 -5.280 18490
3230 1 14 . 1 1 10 10 CYS HA H 562 4.854 4.854 5.158 -0.304 18490
3231 1 14 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.550 -3.901 18490
3232 1 14 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.320 -2.537 18490
3233 1 14 . 1 1 10 10 CYS H H 562 8.627 8.627 8.874 -0.247 18490
3234 1 14 . 1 1 11 11 PHE N N 563 116.503 116.503 120.380 -3.877 18490
3235 1 14 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.057 -0.008 18490
3236 1 14 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.628 -1.487 18490
3237 1 14 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.325 -2.248 18490
3238 1 14 . 1 1 11 11 PHE H H 563 8.936 8.936 9.298 -0.362 18490
3239 1 14 . 1 1 12 12 ALA N N 564 122.486 122.486 128.537 -6.051 18490
3240 1 14 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.349 0.055 18490
3241 1 14 . 1 1 12 12 ALA CA C 564 47.387 47.387 49.943 -2.556 18490
3242 1 14 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.598 -0.509 18490
3243 1 14 . 1 1 12 12 ALA H H 564 9.195 9.195 9.477 -0.282 18490
3244 1 14 . 1 1 13 13 LEU N N 565 123.611 123.611 126.194 -2.583 18490
3245 1 14 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.504 -1.140 18490
3246 1 14 . 1 1 13 13 LEU CA C 565 52.469 52.469 55.076 -2.607 18490
3247 1 14 . 1 1 13 13 LEU CB C 565 41.189 41.189 42.857 -1.668 18490
3248 1 14 . 1 1 13 13 LEU H H 565 7.362 7.362 9.011 -1.649 18490
3249 1 14 . 1 1 14 14 TYR N N 566 131.717 131.717 127.539 4.178 18490
3250 1 14 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.757 0.052 18490
3251 1 14 . 1 1 14 14 TYR CA C 566 52.496 52.496 56.714 -4.218 18490
3252 1 14 . 1 1 14 14 TYR CB C 566 34.849 34.849 42.044 -7.195 18490
3253 1 14 . 1 1 14 14 TYR H H 566 9.326 9.326 8.880 0.446 18490
3254 1 14 . 1 1 15 15 TRP N N 567 128.045 128.045 120.711 7.334 18490
3255 1 14 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.692 -0.757 18490
3256 1 14 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.579 -2.802 18490
3257 1 14 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.282 -3.861 18490
3258 1 14 . 1 1 15 15 TRP H H 567 8.312 8.312 7.608 0.704 18490
3259 1 14 . 1 1 16 16 GLU N N 568 116.959 116.959 122.272 -5.313 18490
3260 1 14 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.204 -0.465 18490
3261 1 14 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.252 -1.189 18490
3262 1 14 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.337 -1.390 18490
3263 1 14 . 1 1 16 16 GLU H H 568 3.785 3.785 5.928 -2.143 18490
3264 1 14 . 1 1 17 17 ASP N N 569 111.935 111.935 115.292 -3.357 18490
3265 1 14 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.434 -0.042 18490
3266 1 14 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.444 -4.294 18490
3267 1 14 . 1 1 17 17 ASP CB C 569 38.739 38.739 39.979 -1.240 18490
3268 1 14 . 1 1 17 17 ASP H H 569 6.511 6.511 7.680 -1.169 18490
3269 1 14 . 1 1 18 18 ASN N N 570 116.485 116.485 118.013 -1.528 18490
3270 1 14 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.325 -0.423 18490
3271 1 14 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.423 -2.202 18490
3272 1 14 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.751 -2.455 18490
3273 1 14 . 1 1 18 18 ASN H H 570 8.091 8.091 8.190 -0.099 18490
3274 1 14 . 1 1 19 19 LYS N N 571 116.593 116.593 118.621 -2.028 18490
3275 1 14 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.421 -0.059 18490
3276 1 14 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.461 -2.635 18490
3277 1 14 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.833 -2.597 18490
3278 1 14 . 1 1 19 19 LYS H H 571 7.514 7.514 8.333 -0.819 18490
3279 1 14 . 1 1 20 20 PHE N N 572 118.347 118.347 119.582 -1.235 18490
3280 1 14 . 1 1 20 20 PHE HA H 572 4.865 4.865 5.009 -0.144 18490
3281 1 14 . 1 1 20 20 PHE CA C 572 55.573 55.573 57.166 -1.593 18490
3282 1 14 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.982 -1.458 18490
3283 1 14 . 1 1 20 20 PHE H H 572 8.267 8.267 8.411 -0.144 18490
3284 1 14 . 1 1 21 21 TYR N N 573 117.867 117.867 122.290 -4.423 18490
3285 1 14 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.158 -0.209 18490
3286 1 14 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.794 -2.710 18490
3287 1 14 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.219 -1.020 18490
3288 1 14 . 1 1 21 21 TYR H H 573 8.726 8.726 9.507 -0.781 18490
3289 1 14 . 1 1 22 22 ARG N N 574 122.076 122.076 121.008 1.068 18490
3290 1 14 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.185 -0.010 18490
3291 1 14 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.020 -2.400 18490
3292 1 14 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.313 -2.541 18490
3293 1 14 . 1 1 22 22 ARG H H 574 9.110 9.110 9.081 0.029 18490
3294 1 14 . 1 1 23 23 ALA N N 575 127.941 127.941 125.435 2.506 18490
3295 1 14 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.879 0.135 18490
3296 1 14 . 1 1 23 23 ALA CA C 575 48.488 48.488 51.030 -2.542 18490
3297 1 14 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.773 -2.079 18490
3298 1 14 . 1 1 23 23 ALA H H 575 9.307 9.307 8.962 0.345 18490
3299 1 14 . 1 1 24 24 GLU N N 576 118.347 118.347 123.404 -5.057 18490
3300 1 14 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.307 0.666 18490
3301 1 14 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.727 -3.534 18490
3302 1 14 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.505 0.475 18490
3303 1 14 . 1 1 24 24 GLU H H 576 8.267 8.267 8.589 -0.322 18490
3304 1 14 . 1 1 25 25 VAL N N 577 124.034 124.034 126.903 -2.869 18490
3305 1 14 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.549 -0.147 18490
3306 1 14 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.054 -1.870 18490
3307 1 14 . 1 1 25 25 VAL CB C 577 28.796 28.796 30.807 -2.011 18490
3308 1 14 . 1 1 25 25 VAL H H 577 8.840 8.840 8.259 0.581 18490
3309 1 14 . 1 1 26 26 GLU N N 578 131.333 131.333 130.879 0.454 18490
3310 1 14 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.297 0.179 18490
3311 1 14 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.269 -2.068 18490
3312 1 14 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.424 -3.455 18490
3313 1 14 . 1 1 26 26 GLU H H 578 9.368 9.368 8.768 0.600 18490
3314 1 14 . 1 1 27 27 ALA N N 579 117.488 117.488 121.586 -4.098 18490
3315 1 14 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.451 -0.137 18490
3316 1 14 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.177 -3.035 18490
3317 1 14 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.344 -0.781 18490
3318 1 14 . 1 1 27 27 ALA H H 579 7.681 7.681 7.707 -0.026 18490
3319 1 14 . 1 1 28 28 LEU N N 580 122.399 122.399 123.578 -1.179 18490
3320 1 14 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.602 -0.062 18490
3321 1 14 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.394 -3.660 18490
3322 1 14 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.053 -0.446 18490
3323 1 14 . 1 1 28 28 LEU H H 580 8.860 8.860 8.589 0.271 18490
3324 1 14 . 1 1 29 29 HIS N N 581 123.783 123.783 115.917 7.866 18490
3325 1 14 . 1 1 29 29 HIS H H 581 7.867 7.867 7.827 0.040 18490
3326 1 14 . 1 1 30 30 SER N N 582 109.799 109.799 119.808 -10.009 18490
3327 1 14 . 1 1 30 30 SER H H 582 7.731 7.731 8.110 -0.379 18490
3328 1 14 . 1 1 31 31 SER HA H 583 4.191 4.191 4.089 0.102 18490
3329 1 14 . 1 1 31 31 SER CA C 583 57.135 57.135 59.825 -2.691 18490
3330 1 14 . 1 1 31 31 SER CB C 583 61.202 61.202 61.852 -0.650 18490
3331 1 14 . 1 1 32 32 GLY N N 584 108.532 108.532 107.858 0.674 18490
3332 1 14 . 1 1 32 32 GLY CA C 584 43.284 43.284 46.038 -2.753 18490
3333 1 14 . 1 1 32 32 GLY H H 584 8.017 8.017 8.259 -0.242 18490
3334 1 14 . 1 1 33 33 MET N N 585 113.817 113.817 114.064 -0.247 18490
3335 1 14 . 1 1 33 33 MET HA H 585 4.637 4.637 4.952 -0.315 18490
3336 1 14 . 1 1 33 33 MET CA C 585 53.230 53.230 56.611 -3.381 18490
3337 1 14 . 1 1 33 33 MET CB C 585 31.595 31.595 34.815 -3.220 18490
3338 1 14 . 1 1 33 33 MET H H 585 8.057 8.057 7.996 0.061 18490
3339 1 14 . 1 1 34 34 THR N N 586 107.993 107.993 113.595 -5.602 18490
3340 1 14 . 1 1 34 34 THR HA H 586 3.936 3.936 5.020 -1.084 18490
3341 1 14 . 1 1 34 34 THR CA C 586 55.762 55.762 59.638 -3.876 18490
3342 1 14 . 1 1 34 34 THR CB C 586 70.532 70.532 71.991 -1.459 18490
3343 1 14 . 1 1 34 34 THR H H 586 7.014 7.014 7.991 -0.977 18490
3344 1 14 . 1 1 35 35 ALA N N 587 122.076 122.076 121.092 0.984 18490
3345 1 14 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.631 0.165 18490
3346 1 14 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.145 -3.413 18490
3347 1 14 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.182 -2.269 18490
3348 1 14 . 1 1 35 35 ALA H H 587 9.110 9.110 8.613 0.497 18490
3349 1 14 . 1 1 36 36 VAL N N 588 120.263 120.263 124.310 -4.047 18490
3350 1 14 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.821 -0.147 18490
3351 1 14 . 1 1 36 36 VAL CA C 588 59.314 59.314 62.462 -3.148 18490
3352 1 14 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.417 -2.472 18490
3353 1 14 . 1 1 36 36 VAL H H 588 8.656 8.656 8.479 0.177 18490
3354 1 14 . 1 1 37 37 VAL N N 589 120.768 120.768 122.023 -1.255 18490
3355 1 14 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.668 0.205 18490
3356 1 14 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.088 -4.117 18490
3357 1 14 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.736 -3.151 18490
3358 1 14 . 1 1 37 37 VAL H H 589 9.082 9.082 9.015 0.067 18490
3359 1 14 . 1 1 38 38 LYS N N 590 121.105 121.105 125.716 -4.611 18490
3360 1 14 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.879 -0.454 18490
3361 1 14 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.437 -3.587 18490
3362 1 14 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.575 -1.023 18490
3363 1 14 . 1 1 38 38 LYS H H 590 8.534 8.534 8.544 -0.010 18490
3364 1 14 . 1 1 39 39 PHE N N 591 126.314 126.314 127.293 -0.979 18490
3365 1 14 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.695 -0.370 18490
3366 1 14 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.469 -2.280 18490
3367 1 14 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.934 -3.234 18490
3368 1 14 . 1 1 39 39 PHE H H 591 8.511 8.511 8.569 -0.058 18490
3369 1 14 . 1 1 40 40 ILE N N 592 124.308 124.308 124.521 -0.213 18490
3370 1 14 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.998 -0.523 18490
3371 1 14 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.586 -2.076 18490
3372 1 14 . 1 1 40 40 ILE CB C 592 35.178 35.178 38.021 -2.843 18490
3373 1 14 . 1 1 40 40 ILE H H 592 7.677 7.677 8.124 -0.447 18490
3374 1 14 . 1 1 41 41 ASP N N 593 119.217 119.217 118.214 1.003 18490
3375 1 14 . 1 1 41 41 ASP H H 593 9.043 9.043 8.465 0.578 18490
3376 1 14 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.675 0.008 18490
3377 1 14 . 1 1 43 43 GLY N N 595 106.446 106.446 109.882 -3.436 18490
3378 1 14 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.553 -2.417 18490
3379 1 14 . 1 1 43 43 GLY H H 595 8.036 8.036 8.831 -0.795 18490
3380 1 14 . 1 1 44 44 ASN N N 596 114.398 114.398 115.807 -1.409 18490
3381 1 14 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.058 -0.386 18490
3382 1 14 . 1 1 44 44 ASN CA C 596 50.263 50.263 52.148 -1.885 18490
3383 1 14 . 1 1 44 44 ASN CB C 596 35.429 35.429 39.800 -4.371 18490
3384 1 14 . 1 1 44 44 ASN H H 596 8.520 8.520 7.744 0.776 18490
3385 1 14 . 1 1 45 45 TYR N N 597 120.716 120.716 114.088 6.628 18490
3386 1 14 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.736 -0.152 18490
3387 1 14 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.873 -1.972 18490
3388 1 14 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.314 -3.882 18490
3389 1 14 . 1 1 45 45 TYR H H 597 8.650 8.650 8.275 0.375 18490
3390 1 14 . 1 1 46 46 GLU N N 598 118.075 118.075 117.898 0.177 18490
3391 1 14 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.642 0.226 18490
3392 1 14 . 1 1 46 46 GLU CA C 598 51.210 51.210 55.049 -3.839 18490
3393 1 14 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.719 -0.478 18490
3394 1 14 . 1 1 46 46 GLU H H 598 8.822 8.822 8.805 0.017 18490
3395 1 14 . 1 1 47 47 GLU N N 599 122.692 122.692 121.527 1.165 18490
3396 1 14 . 1 1 47 47 GLU HA H 599 5.015 5.015 5.459 -0.444 18490
3397 1 14 . 1 1 47 47 GLU CA C 599 52.847 52.847 54.775 -1.928 18490
3398 1 14 . 1 1 47 47 GLU CB C 599 27.852 27.852 31.480 -3.628 18490
3399 1 14 . 1 1 47 47 GLU H H 599 8.892 8.892 8.654 0.238 18490
3400 1 14 . 1 1 48 48 VAL N N 600 125.296 125.296 122.852 2.444 18490
3401 1 14 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.371 0.214 18490
3402 1 14 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.661 -3.729 18490
3403 1 14 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.076 -2.431 18490
3404 1 14 . 1 1 48 48 VAL H H 600 9.280 9.280 8.684 0.596 18490
3405 1 14 . 1 1 49 49 LEU N N 601 123.816 123.816 123.579 0.237 18490
3406 1 14 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.434 -0.085 18490
3407 1 14 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.090 -3.465 18490
3408 1 14 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.207 -2.373 18490
3409 1 14 . 1 1 49 49 LEU H H 601 8.628 8.628 8.566 0.062 18490
3410 1 14 . 1 1 50 50 LEU N N 602 123.131 123.131 126.304 -3.173 18490
3411 1 14 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.107 -0.378 18490
3412 1 14 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.345 -3.139 18490
3413 1 14 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.910 -3.328 18490
3414 1 14 . 1 1 50 50 LEU H H 602 8.183 8.183 8.153 0.030 18490
3415 1 14 . 1 1 51 51 SER N N 603 109.799 109.799 111.429 -1.630 18490
3416 1 14 . 1 1 51 51 SER HA H 603 4.228 4.228 4.490 -0.262 18490
3417 1 14 . 1 1 51 51 SER CA C 603 57.025 57.025 59.763 -2.738 18490
3418 1 14 . 1 1 51 51 SER CB C 603 59.696 59.696 63.043 -3.347 18490
3419 1 14 . 1 1 51 51 SER H H 603 7.731 7.731 8.499 -0.768 18490
3420 1 14 . 1 1 52 52 ASN N N 604 120.726 120.726 119.709 1.017 18490
3421 1 14 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.203 -0.069 18490
3422 1 14 . 1 1 52 52 ASN CA C 604 49.901 49.901 52.906 -3.005 18490
3423 1 14 . 1 1 52 52 ASN CB C 604 36.854 36.854 39.706 -2.852 18490
3424 1 14 . 1 1 52 52 ASN H H 604 7.952 7.952 8.026 -0.074 18490
3425 1 14 . 1 1 53 53 ILE N N 605 115.439 115.439 120.601 -5.162 18490
3426 1 14 . 1 1 53 53 ILE HA H 605 5.011 5.011 4.936 0.075 18490
3427 1 14 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.845 -3.084 18490
3428 1 14 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.864 -2.400 18490
3429 1 14 . 1 1 53 53 ILE H H 605 7.162 7.162 7.446 -0.283 18490
3430 1 14 . 1 1 54 54 LYS N N 606 122.864 122.864 127.760 -4.896 18490
3431 1 14 . 1 1 54 54 LYS H H 606 9.245 9.245 9.367 -0.122 18490
3432 1 14 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.883 -0.013 18490
3433 1 14 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.074 -3.132 18490
3434 1 14 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.877 -2.897 18490
3435 1 14 . 1 1 56 56 ILE N N 608 118.715 118.715 120.236 -1.521 18490
3436 1 14 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.316 -0.406 18490
3437 1 14 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.952 -4.047 18490
3438 1 14 . 1 1 56 56 ILE CB C 608 34.964 34.964 39.289 -4.325 18490
3439 1 14 . 1 1 56 56 ILE H H 608 8.363 8.363 8.697 -0.334 18490
3440 1 14 . 1 1 57 57 LEU N N 609 124.451 124.451 120.401 4.050 18490
3441 1 14 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.642 -0.391 18490
3442 1 14 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.781 -2.774 18490
3443 1 14 . 1 1 57 57 LEU CB C 609 39.827 39.827 43.576 -3.749 18490
3444 1 14 . 1 1 57 57 LEU H H 609 8.034 8.034 7.621 0.413 18490
3445 1 15 . 1 1 2 2 LYS N N 554 126.040 126.040 122.157 3.883 18490
3446 1 15 . 1 1 2 2 LYS H H 554 7.684 7.684 8.414 -0.730 18490
3447 1 15 . 1 1 3 3 MET HA H 555 4.538 4.538 4.215 0.323 18490
3448 1 15 . 1 1 3 3 MET CA C 555 51.252 51.252 56.803 -5.551 18490
3449 1 15 . 1 1 3 3 MET CB C 555 28.816 28.816 33.179 -4.364 18490
3450 1 15 . 1 1 4 4 TRP N N 556 124.579 124.579 118.597 5.982 18490
3451 1 15 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.689 -0.137 18490
3452 1 15 . 1 1 4 4 TRP CA C 556 54.260 54.260 56.493 -2.233 18490
3453 1 15 . 1 1 4 4 TRP CB C 556 29.299 29.299 31.340 -2.041 18490
3454 1 15 . 1 1 4 4 TRP H H 556 7.686 7.686 8.116 -0.430 18490
3455 1 15 . 1 1 5 5 LYS N N 557 120.748 120.748 120.939 -0.191 18490
3456 1 15 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.906 -0.189 18490
3457 1 15 . 1 1 5 5 LYS CA C 557 50.494 50.494 53.595 -3.101 18490
3458 1 15 . 1 1 5 5 LYS H H 557 8.983 8.983 8.409 0.574 18490
3459 1 15 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.258 -0.501 18490
3460 1 15 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.353 -2.381 18490
3461 1 15 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.066 -3.485 18490
3462 1 15 . 1 1 7 7 GLY N N 559 114.722 114.722 109.083 5.639 18490
3463 1 15 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.078 -3.205 18490
3464 1 15 . 1 1 7 7 GLY H H 559 9.372 9.372 8.312 1.060 18490
3465 1 15 . 1 1 8 8 ASP N N 560 121.253 121.253 121.003 0.250 18490
3466 1 15 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.875 -0.353 18490
3467 1 15 . 1 1 8 8 ASP CA C 560 53.191 53.191 52.927 0.264 18490
3468 1 15 . 1 1 8 8 ASP CB C 560 39.229 39.229 42.789 -3.560 18490
3469 1 15 . 1 1 8 8 ASP H H 560 7.875 7.875 7.639 0.236 18490
3470 1 15 . 1 1 9 9 GLU N N 561 121.105 121.105 124.303 -3.198 18490
3471 1 15 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.399 0.423 18490
3472 1 15 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.846 -3.789 18490
3473 1 15 . 1 1 9 9 GLU CB C 561 28.765 28.765 27.826 0.939 18490
3474 1 15 . 1 1 9 9 GLU H H 561 8.543 8.543 8.685 -0.142 18490
3475 1 15 . 1 1 10 10 CYS N N 562 115.944 115.944 122.447 -6.503 18490
3476 1 15 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.611 0.243 18490
3477 1 15 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.138 -4.489 18490
3478 1 15 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.130 -2.348 18490
3479 1 15 . 1 1 10 10 CYS H H 562 8.627 8.627 8.861 -0.234 18490
3480 1 15 . 1 1 11 11 PHE N N 563 116.503 116.503 119.464 -2.961 18490
3481 1 15 . 1 1 11 11 PHE HA H 563 5.049 5.049 4.970 0.079 18490
3482 1 15 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.324 -2.183 18490
3483 1 15 . 1 1 11 11 PHE CB C 563 39.077 39.077 42.228 -3.151 18490
3484 1 15 . 1 1 11 11 PHE H H 563 8.936 8.936 9.247 -0.311 18490
3485 1 15 . 1 1 12 12 ALA N N 564 122.486 122.486 126.851 -4.365 18490
3486 1 15 . 1 1 12 12 ALA HA H 564 5.404 5.404 4.884 0.520 18490
3487 1 15 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.219 -2.832 18490
3488 1 15 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.347 -0.258 18490
3489 1 15 . 1 1 12 12 ALA H H 564 9.195 9.195 9.452 -0.257 18490
3490 1 15 . 1 1 13 13 LEU N N 565 123.611 123.611 128.121 -4.510 18490
3491 1 15 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.107 -0.743 18490
3492 1 15 . 1 1 13 13 LEU CA C 565 52.469 52.469 55.003 -2.534 18490
3493 1 15 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.124 0.065 18490
3494 1 15 . 1 1 13 13 LEU H H 565 7.362 7.362 8.249 -0.887 18490
3495 1 15 . 1 1 14 14 TYR N N 566 131.717 131.717 128.075 3.642 18490
3496 1 15 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.469 0.340 18490
3497 1 15 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.199 -5.703 18490
3498 1 15 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.395 -6.546 18490
3499 1 15 . 1 1 14 14 TYR H H 566 9.326 9.326 9.097 0.229 18490
3500 1 15 . 1 1 15 15 TRP N N 567 128.045 128.045 121.050 6.995 18490
3501 1 15 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.666 -0.731 18490
3502 1 15 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.916 -2.139 18490
3503 1 15 . 1 1 15 15 TRP CB C 567 25.421 25.421 28.756 -3.335 18490
3504 1 15 . 1 1 15 15 TRP H H 567 8.312 8.312 7.263 1.049 18490
3505 1 15 . 1 1 16 16 GLU N N 568 116.959 116.959 121.069 -4.110 18490
3506 1 15 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.521 -0.782 18490
3507 1 15 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.295 -1.232 18490
3508 1 15 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.589 -1.642 18490
3509 1 15 . 1 1 16 16 GLU H H 568 3.785 3.785 6.927 -3.142 18490
3510 1 15 . 1 1 17 17 ASP N N 569 111.935 111.935 115.872 -3.937 18490
3511 1 15 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.510 -0.118 18490
3512 1 15 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.165 -4.015 18490
3513 1 15 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.009 -1.270 18490
3514 1 15 . 1 1 17 17 ASP H H 569 6.511 6.511 7.814 -1.303 18490
3515 1 15 . 1 1 18 18 ASN N N 570 116.485 116.485 117.890 -1.405 18490
3516 1 15 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.435 -0.533 18490
3517 1 15 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.462 -2.241 18490
3518 1 15 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.891 -2.595 18490
3519 1 15 . 1 1 18 18 ASN H H 570 8.091 8.091 8.203 -0.112 18490
3520 1 15 . 1 1 19 19 LYS N N 571 116.593 116.593 118.930 -2.337 18490
3521 1 15 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.510 -0.148 18490
3522 1 15 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.096 -2.271 18490
3523 1 15 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.636 -2.400 18490
3524 1 15 . 1 1 19 19 LYS H H 571 7.514 7.514 7.690 -0.176 18490
3525 1 15 . 1 1 20 20 PHE N N 572 118.347 118.347 121.268 -2.921 18490
3526 1 15 . 1 1 20 20 PHE HA H 572 4.865 4.865 5.011 -0.146 18490
3527 1 15 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.322 -2.749 18490
3528 1 15 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.422 -0.898 18490
3529 1 15 . 1 1 20 20 PHE H H 572 8.267 8.267 8.671 -0.404 18490
3530 1 15 . 1 1 21 21 TYR N N 573 117.867 117.867 120.874 -3.007 18490
3531 1 15 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.028 -0.079 18490
3532 1 15 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.589 -2.505 18490
3533 1 15 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.422 -1.223 18490
3534 1 15 . 1 1 21 21 TYR H H 573 8.726 8.726 9.012 -0.286 18490
3535 1 15 . 1 1 22 22 ARG N N 574 122.076 122.076 122.416 -0.340 18490
3536 1 15 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.183 -0.008 18490
3537 1 15 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.508 -2.888 18490
3538 1 15 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.852 -3.080 18490
3539 1 15 . 1 1 22 22 ARG H H 574 9.110 9.110 9.175 -0.065 18490
3540 1 15 . 1 1 23 23 ALA N N 575 127.941 127.941 124.483 3.458 18490
3541 1 15 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.735 0.279 18490
3542 1 15 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.416 -1.927 18490
3543 1 15 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.942 -2.249 18490
3544 1 15 . 1 1 23 23 ALA H H 575 9.307 9.307 8.799 0.508 18490
3545 1 15 . 1 1 24 24 GLU N N 576 118.347 118.347 122.525 -4.178 18490
3546 1 15 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.528 0.445 18490
3547 1 15 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.723 -3.530 18490
3548 1 15 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.673 0.307 18490
3549 1 15 . 1 1 24 24 GLU H H 576 8.267 8.267 8.629 -0.362 18490
3550 1 15 . 1 1 25 25 VAL N N 577 124.034 124.034 127.108 -3.074 18490
3551 1 15 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.502 -0.100 18490
3552 1 15 . 1 1 25 25 VAL CA C 577 62.184 62.184 65.094 -2.910 18490
3553 1 15 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.252 -2.456 18490
3554 1 15 . 1 1 25 25 VAL H H 577 8.840 8.840 8.541 0.299 18490
3555 1 15 . 1 1 26 26 GLU N N 578 131.333 131.333 129.450 1.883 18490
3556 1 15 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.376 0.100 18490
3557 1 15 . 1 1 26 26 GLU CA C 578 54.201 54.201 55.936 -1.735 18490
3558 1 15 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.960 -3.991 18490
3559 1 15 . 1 1 26 26 GLU H H 578 9.368 9.368 8.855 0.513 18490
3560 1 15 . 1 1 27 27 ALA N N 579 117.488 117.488 122.820 -5.332 18490
3561 1 15 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.640 -0.326 18490
3562 1 15 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.494 -3.352 18490
3563 1 15 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.231 -0.668 18490
3564 1 15 . 1 1 27 27 ALA H H 579 7.681 7.681 8.157 -0.476 18490
3565 1 15 . 1 1 28 28 LEU N N 580 122.399 122.399 124.845 -2.446 18490
3566 1 15 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.741 -0.201 18490
3567 1 15 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.146 -3.412 18490
3568 1 15 . 1 1 28 28 LEU CB C 580 39.607 39.607 43.536 -3.929 18490
3569 1 15 . 1 1 28 28 LEU H H 580 8.860 8.860 8.194 0.666 18490
3570 1 15 . 1 1 29 29 HIS N N 581 123.783 123.783 123.579 0.204 18490
3571 1 15 . 1 1 29 29 HIS H H 581 7.867 7.867 8.795 -0.928 18490
3572 1 15 . 1 1 30 30 SER N N 582 109.799 109.799 121.057 -11.258 18490
3573 1 15 . 1 1 30 30 SER H H 582 7.731 7.731 8.526 -0.795 18490
3574 1 15 . 1 1 31 31 SER HA H 583 4.191 4.191 4.403 -0.212 18490
3575 1 15 . 1 1 31 31 SER CA C 583 57.135 57.135 59.391 -2.256 18490
3576 1 15 . 1 1 31 31 SER CB C 583 61.202 61.202 63.710 -2.508 18490
3577 1 15 . 1 1 32 32 GLY N N 584 108.532 108.532 108.930 -0.398 18490
3578 1 15 . 1 1 32 32 GLY CA C 584 43.284 43.284 44.785 -1.501 18490
3579 1 15 . 1 1 32 32 GLY H H 584 8.017 8.017 7.643 0.374 18490
3580 1 15 . 1 1 33 33 MET N N 585 113.817 113.817 116.978 -3.161 18490
3581 1 15 . 1 1 33 33 MET HA H 585 4.637 4.637 4.461 0.176 18490
3582 1 15 . 1 1 33 33 MET CA C 585 53.230 53.230 57.966 -4.736 18490
3583 1 15 . 1 1 33 33 MET CB C 585 31.595 31.595 32.587 -0.992 18490
3584 1 15 . 1 1 33 33 MET H H 585 8.057 8.057 8.358 -0.301 18490
3585 1 15 . 1 1 34 34 THR N N 586 107.993 107.993 110.620 -2.627 18490
3586 1 15 . 1 1 34 34 THR HA H 586 3.936 3.936 4.935 -0.999 18490
3587 1 15 . 1 1 34 34 THR CA C 586 55.762 55.762 60.260 -4.498 18490
3588 1 15 . 1 1 34 34 THR CB C 586 70.532 70.532 71.457 -0.925 18490
3589 1 15 . 1 1 34 34 THR H H 586 7.014 7.014 7.647 -0.633 18490
3590 1 15 . 1 1 35 35 ALA N N 587 122.076 122.076 121.610 0.466 18490
3591 1 15 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.660 0.136 18490
3592 1 15 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.757 -3.025 18490
3593 1 15 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.424 -2.510 18490
3594 1 15 . 1 1 35 35 ALA H H 587 9.110 9.110 8.592 0.518 18490
3595 1 15 . 1 1 36 36 VAL N N 588 120.263 120.263 123.104 -2.841 18490
3596 1 15 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.631 0.043 18490
3597 1 15 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.314 -2.000 18490
3598 1 15 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.398 -2.453 18490
3599 1 15 . 1 1 36 36 VAL H H 588 8.656 8.656 8.270 0.386 18490
3600 1 15 . 1 1 37 37 VAL N N 589 120.768 120.768 122.398 -1.630 18490
3601 1 15 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.588 0.285 18490
3602 1 15 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.800 -4.829 18490
3603 1 15 . 1 1 37 37 VAL CB C 589 31.584 31.584 35.199 -3.615 18490
3604 1 15 . 1 1 37 37 VAL H H 589 9.082 9.082 8.651 0.431 18490
3605 1 15 . 1 1 38 38 LYS N N 590 121.105 121.105 125.957 -4.852 18490
3606 1 15 . 1 1 38 38 LYS HA H 590 4.425 4.425 5.013 -0.588 18490
3607 1 15 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.090 -3.240 18490
3608 1 15 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.472 -0.920 18490
3609 1 15 . 1 1 38 38 LYS H H 590 8.534 8.534 8.691 -0.157 18490
3610 1 15 . 1 1 39 39 PHE N N 591 126.314 126.314 126.251 0.063 18490
3611 1 15 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.533 -0.208 18490
3612 1 15 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.816 -2.627 18490
3613 1 15 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.641 -2.941 18490
3614 1 15 . 1 1 39 39 PHE H H 591 8.511 8.511 8.735 -0.224 18490
3615 1 15 . 1 1 40 40 ILE N N 592 124.308 124.308 123.793 0.515 18490
3616 1 15 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.958 -0.483 18490
3617 1 15 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.522 -2.012 18490
3618 1 15 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.508 -2.329 18490
3619 1 15 . 1 1 40 40 ILE H H 592 7.677 7.677 8.082 -0.405 18490
3620 1 15 . 1 1 41 41 ASP N N 593 119.217 119.217 119.579 -0.362 18490
3621 1 15 . 1 1 41 41 ASP H H 593 9.043 9.043 8.800 0.243 18490
3622 1 15 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.583 0.100 18490
3623 1 15 . 1 1 43 43 GLY N N 595 106.446 106.446 105.455 0.991 18490
3624 1 15 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.091 -1.955 18490
3625 1 15 . 1 1 43 43 GLY H H 595 8.036 8.036 8.286 -0.250 18490
3626 1 15 . 1 1 44 44 ASN N N 596 114.398 114.398 117.375 -2.977 18490
3627 1 15 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.090 -0.418 18490
3628 1 15 . 1 1 44 44 ASN CA C 596 50.263 50.263 52.069 -1.806 18490
3629 1 15 . 1 1 44 44 ASN CB C 596 35.429 35.429 41.805 -6.376 18490
3630 1 15 . 1 1 44 44 ASN H H 596 8.520 8.520 8.185 0.335 18490
3631 1 15 . 1 1 45 45 TYR N N 597 120.716 120.716 115.966 4.750 18490
3632 1 15 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.550 0.034 18490
3633 1 15 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.802 -1.901 18490
3634 1 15 . 1 1 45 45 TYR CB C 597 37.432 37.432 40.139 -2.707 18490
3635 1 15 . 1 1 45 45 TYR H H 597 8.650 8.650 8.043 0.607 18490
3636 1 15 . 1 1 46 46 GLU N N 598 118.075 118.075 120.799 -2.724 18490
3637 1 15 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.761 0.107 18490
3638 1 15 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.634 -3.424 18490
3639 1 15 . 1 1 46 46 GLU CB C 598 32.241 32.241 33.056 -0.815 18490
3640 1 15 . 1 1 46 46 GLU H H 598 8.822 8.822 8.979 -0.157 18490
3641 1 15 . 1 1 47 47 GLU N N 599 122.692 122.692 122.162 0.530 18490
3642 1 15 . 1 1 47 47 GLU HA H 599 5.015 5.015 5.165 -0.150 18490
3643 1 15 . 1 1 47 47 GLU CA C 599 52.847 52.847 55.497 -2.650 18490
3644 1 15 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.602 -2.750 18490
3645 1 15 . 1 1 47 47 GLU H H 599 8.892 8.892 8.707 0.185 18490
3646 1 15 . 1 1 48 48 VAL N N 600 125.296 125.296 123.198 2.098 18490
3647 1 15 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.375 0.210 18490
3648 1 15 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.438 -3.506 18490
3649 1 15 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.215 -2.570 18490
3650 1 15 . 1 1 48 48 VAL H H 600 9.280 9.280 8.847 0.433 18490
3651 1 15 . 1 1 49 49 LEU N N 601 123.816 123.816 125.032 -1.216 18490
3652 1 15 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.417 -0.068 18490
3653 1 15 . 1 1 49 49 LEU CA C 601 52.625 52.625 55.572 -2.947 18490
3654 1 15 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.175 -2.341 18490
3655 1 15 . 1 1 49 49 LEU H H 601 8.628 8.628 8.889 -0.261 18490
3656 1 15 . 1 1 50 50 LEU N N 602 123.131 123.131 126.810 -3.679 18490
3657 1 15 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.116 -0.387 18490
3658 1 15 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.559 -3.353 18490
3659 1 15 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.932 -3.350 18490
3660 1 15 . 1 1 50 50 LEU H H 602 8.183 8.183 8.285 -0.102 18490
3661 1 15 . 1 1 51 51 SER N N 603 109.799 109.799 110.734 -0.935 18490
3662 1 15 . 1 1 51 51 SER HA H 603 4.228 4.228 4.610 -0.382 18490
3663 1 15 . 1 1 51 51 SER CA C 603 57.025 57.025 59.831 -2.806 18490
3664 1 15 . 1 1 51 51 SER CB C 603 59.696 59.696 62.262 -2.566 18490
3665 1 15 . 1 1 51 51 SER H H 603 7.731 7.731 8.522 -0.791 18490
3666 1 15 . 1 1 52 52 ASN N N 604 120.726 120.726 119.120 1.606 18490
3667 1 15 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.060 0.074 18490
3668 1 15 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.503 -3.602 18490
3669 1 15 . 1 1 52 52 ASN CB C 604 36.854 36.854 41.135 -4.281 18490
3670 1 15 . 1 1 52 52 ASN H H 604 7.952 7.952 8.080 -0.128 18490
3671 1 15 . 1 1 53 53 ILE N N 605 115.439 115.439 122.152 -6.713 18490
3672 1 15 . 1 1 53 53 ILE HA H 605 5.011 5.011 4.498 0.513 18490
3673 1 15 . 1 1 53 53 ILE CA C 605 57.761 57.761 62.854 -5.093 18490
3674 1 15 . 1 1 53 53 ILE CB C 605 37.464 37.464 38.439 -0.975 18490
3675 1 15 . 1 1 53 53 ILE H H 605 7.162 7.162 7.919 -0.757 18490
3676 1 15 . 1 1 54 54 LYS N N 606 122.864 122.864 127.399 -4.535 18490
3677 1 15 . 1 1 54 54 LYS H H 606 9.245 9.245 9.321 -0.076 18490
3678 1 15 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.780 0.090 18490
3679 1 15 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.577 -3.635 18490
3680 1 15 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.464 -2.484 18490
3681 1 15 . 1 1 56 56 ILE N N 608 118.715 118.715 121.001 -2.286 18490
3682 1 15 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.280 -0.370 18490
3683 1 15 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.699 -3.794 18490
3684 1 15 . 1 1 56 56 ILE CB C 608 34.964 34.964 39.071 -4.107 18490
3685 1 15 . 1 1 56 56 ILE H H 608 8.363 8.363 8.855 -0.492 18490
3686 1 15 . 1 1 57 57 LEU N N 609 124.451 124.451 119.623 4.828 18490
3687 1 15 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.549 -0.298 18490
3688 1 15 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.380 -2.373 18490
3689 1 15 . 1 1 57 57 LEU CB C 609 39.827 39.827 44.351 -4.524 18490
3690 1 15 . 1 1 57 57 LEU H H 609 8.034 8.034 7.599 0.435 18490
3691 1 16 . 1 1 2 2 LYS N N 554 126.040 126.040 121.412 4.628 18490
3692 1 16 . 1 1 2 2 LYS H H 554 7.684 7.684 8.213 -0.529 18490
3693 1 16 . 1 1 3 3 MET HA H 555 4.538 4.538 4.668 -0.130 18490
3694 1 16 . 1 1 3 3 MET CA C 555 51.252 51.252 53.850 -2.598 18490
3695 1 16 . 1 1 3 3 MET CB C 555 28.816 28.816 32.535 -3.719 18490
3696 1 16 . 1 1 4 4 TRP N N 556 124.579 124.579 122.129 2.450 18490
3697 1 16 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.541 0.011 18490
3698 1 16 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.750 -3.490 18490
3699 1 16 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.593 -1.294 18490
3700 1 16 . 1 1 4 4 TRP H H 556 7.686 7.686 7.646 0.040 18490
3701 1 16 . 1 1 5 5 LYS N N 557 120.748 120.748 121.408 -0.660 18490
3702 1 16 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.910 -0.193 18490
3703 1 16 . 1 1 5 5 LYS CA C 557 50.494 50.494 53.589 -3.095 18490
3704 1 16 . 1 1 5 5 LYS H H 557 8.983 8.983 8.493 0.490 18490
3705 1 16 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.278 -0.521 18490
3706 1 16 . 1 1 6 6 PRO CA C 558 60.972 60.972 62.758 -1.786 18490
3707 1 16 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.032 -3.451 18490
3708 1 16 . 1 1 7 7 GLY N N 559 114.722 114.722 108.304 6.418 18490
3709 1 16 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.245 -3.373 18490
3710 1 16 . 1 1 7 7 GLY H H 559 9.372 9.372 8.115 1.257 18490
3711 1 16 . 1 1 8 8 ASP N N 560 121.253 121.253 119.916 1.337 18490
3712 1 16 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.827 -0.305 18490
3713 1 16 . 1 1 8 8 ASP CA C 560 53.191 53.191 52.498 0.693 18490
3714 1 16 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.679 -4.450 18490
3715 1 16 . 1 1 8 8 ASP H H 560 7.875 7.875 7.715 0.160 18490
3716 1 16 . 1 1 9 9 GLU N N 561 121.105 121.105 118.582 2.523 18490
3717 1 16 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.529 0.293 18490
3718 1 16 . 1 1 9 9 GLU CA C 561 53.057 53.057 55.359 -2.302 18490
3719 1 16 . 1 1 9 9 GLU CB C 561 28.765 28.765 31.197 -2.432 18490
3720 1 16 . 1 1 9 9 GLU H H 561 8.543 8.543 8.509 0.034 18490
3721 1 16 . 1 1 10 10 CYS N N 562 115.944 115.944 119.948 -4.004 18490
3722 1 16 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.661 0.193 18490
3723 1 16 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.206 -3.558 18490
3724 1 16 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.360 -2.577 18490
3725 1 16 . 1 1 10 10 CYS H H 562 8.627 8.627 8.500 0.127 18490
3726 1 16 . 1 1 11 11 PHE N N 563 116.503 116.503 119.590 -3.087 18490
3727 1 16 . 1 1 11 11 PHE HA H 563 5.049 5.049 4.831 0.218 18490
3728 1 16 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.012 -1.871 18490
3729 1 16 . 1 1 11 11 PHE CB C 563 39.077 39.077 40.982 -1.905 18490
3730 1 16 . 1 1 11 11 PHE H H 563 8.936 8.936 8.925 0.011 18490
3731 1 16 . 1 1 12 12 ALA N N 564 122.486 122.486 127.596 -5.110 18490
3732 1 16 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.097 0.307 18490
3733 1 16 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.005 -2.618 18490
3734 1 16 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.365 -0.276 18490
3735 1 16 . 1 1 12 12 ALA H H 564 9.195 9.195 9.297 -0.102 18490
3736 1 16 . 1 1 13 13 LEU N N 565 123.611 123.611 128.720 -5.109 18490
3737 1 16 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.239 -0.875 18490
3738 1 16 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.991 -2.522 18490
3739 1 16 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.222 -0.033 18490
3740 1 16 . 1 1 13 13 LEU H H 565 7.362 7.362 8.706 -1.344 18490
3741 1 16 . 1 1 14 14 TYR N N 566 131.717 131.717 127.423 4.294 18490
3742 1 16 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.621 0.188 18490
3743 1 16 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.926 -5.430 18490
3744 1 16 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.581 -6.732 18490
3745 1 16 . 1 1 14 14 TYR H H 566 9.326 9.326 8.905 0.421 18490
3746 1 16 . 1 1 15 15 TRP N N 567 128.045 128.045 121.192 6.853 18490
3747 1 16 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.612 -0.677 18490
3748 1 16 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.921 -2.144 18490
3749 1 16 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.088 -3.667 18490
3750 1 16 . 1 1 15 15 TRP H H 567 8.312 8.312 7.126 1.186 18490
3751 1 16 . 1 1 16 16 GLU N N 568 116.959 116.959 121.125 -4.166 18490
3752 1 16 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.562 -0.823 18490
3753 1 16 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.220 -1.157 18490
3754 1 16 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.468 -1.521 18490
3755 1 16 . 1 1 16 16 GLU H H 568 3.785 3.785 6.109 -2.324 18490
3756 1 16 . 1 1 17 17 ASP N N 569 111.935 111.935 114.126 -2.191 18490
3757 1 16 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.551 -0.159 18490
3758 1 16 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.070 -3.920 18490
3759 1 16 . 1 1 17 17 ASP CB C 569 38.739 38.739 41.117 -2.378 18490
3760 1 16 . 1 1 17 17 ASP H H 569 6.511 6.511 8.085 -1.574 18490
3761 1 16 . 1 1 18 18 ASN N N 570 116.485 116.485 117.084 -0.599 18490
3762 1 16 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.463 -0.561 18490
3763 1 16 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.166 -1.945 18490
3764 1 16 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.611 -2.315 18490
3765 1 16 . 1 1 18 18 ASN H H 570 8.091 8.091 8.231 -0.140 18490
3766 1 16 . 1 1 19 19 LYS N N 571 116.593 116.593 118.393 -1.800 18490
3767 1 16 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.311 0.051 18490
3768 1 16 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.294 -2.469 18490
3769 1 16 . 1 1 19 19 LYS CB C 571 32.236 32.236 33.876 -1.639 18490
3770 1 16 . 1 1 19 19 LYS H H 571 7.514 7.514 7.702 -0.188 18490
3771 1 16 . 1 1 20 20 PHE N N 572 118.347 118.347 121.783 -3.436 18490
3772 1 16 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.694 0.171 18490
3773 1 16 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.080 -2.507 18490
3774 1 16 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.166 -0.642 18490
3775 1 16 . 1 1 20 20 PHE H H 572 8.267 8.267 8.410 -0.143 18490
3776 1 16 . 1 1 21 21 TYR N N 573 117.867 117.867 121.888 -4.021 18490
3777 1 16 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.096 -0.147 18490
3778 1 16 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.035 -1.951 18490
3779 1 16 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.178 -0.979 18490
3780 1 16 . 1 1 21 21 TYR H H 573 8.726 8.726 9.043 -0.317 18490
3781 1 16 . 1 1 22 22 ARG N N 574 122.076 122.076 122.541 -0.465 18490
3782 1 16 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.193 -0.018 18490
3783 1 16 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.895 -2.275 18490
3784 1 16 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.862 -2.090 18490
3785 1 16 . 1 1 22 22 ARG H H 574 9.110 9.110 9.210 -0.100 18490
3786 1 16 . 1 1 23 23 ALA N N 575 127.941 127.941 125.738 2.203 18490
3787 1 16 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.951 0.063 18490
3788 1 16 . 1 1 23 23 ALA CA C 575 48.488 48.488 51.208 -2.720 18490
3789 1 16 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.512 -1.819 18490
3790 1 16 . 1 1 23 23 ALA H H 575 9.307 9.307 8.879 0.428 18490
3791 1 16 . 1 1 24 24 GLU N N 576 118.347 118.347 124.853 -6.506 18490
3792 1 16 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.428 0.545 18490
3793 1 16 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.189 -3.996 18490
3794 1 16 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.572 0.408 18490
3795 1 16 . 1 1 24 24 GLU H H 576 8.267 8.267 8.508 -0.241 18490
3796 1 16 . 1 1 25 25 VAL N N 577 124.034 124.034 126.197 -2.163 18490
3797 1 16 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.590 -0.188 18490
3798 1 16 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.337 -2.153 18490
3799 1 16 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.151 -2.355 18490
3800 1 16 . 1 1 25 25 VAL H H 577 8.840 8.840 8.135 0.705 18490
3801 1 16 . 1 1 26 26 GLU N N 578 131.333 131.333 130.625 0.708 18490
3802 1 16 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.347 0.129 18490
3803 1 16 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.258 -2.057 18490
3804 1 16 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.720 -3.751 18490
3805 1 16 . 1 1 26 26 GLU H H 578 9.368 9.368 8.887 0.481 18490
3806 1 16 . 1 1 27 27 ALA N N 579 117.488 117.488 122.125 -4.637 18490
3807 1 16 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.493 -0.179 18490
3808 1 16 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.226 -3.084 18490
3809 1 16 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.331 -0.768 18490
3810 1 16 . 1 1 27 27 ALA H H 579 7.681 7.681 7.714 -0.033 18490
3811 1 16 . 1 1 28 28 LEU N N 580 122.399 122.399 123.449 -1.050 18490
3812 1 16 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.736 -0.196 18490
3813 1 16 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.132 -3.398 18490
3814 1 16 . 1 1 28 28 LEU CB C 580 39.607 39.607 43.983 -4.376 18490
3815 1 16 . 1 1 28 28 LEU H H 580 8.860 8.860 8.276 0.584 18490
3816 1 16 . 1 1 29 29 HIS N N 581 123.783 123.783 121.477 2.306 18490
3817 1 16 . 1 1 29 29 HIS H H 581 7.867 7.867 9.004 -1.137 18490
3818 1 16 . 1 1 30 30 SER N N 582 109.799 109.799 120.421 -10.622 18490
3819 1 16 . 1 1 30 30 SER H H 582 7.731 7.731 9.026 -1.295 18490
3820 1 16 . 1 1 31 31 SER HA H 583 4.191 4.191 4.559 -0.368 18490
3821 1 16 . 1 1 31 31 SER CA C 583 57.135 57.135 58.591 -1.456 18490
3822 1 16 . 1 1 31 31 SER CB C 583 61.202 61.202 63.186 -1.984 18490
3823 1 16 . 1 1 32 32 GLY N N 584 108.532 108.532 109.720 -1.188 18490
3824 1 16 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.664 -2.380 18490
3825 1 16 . 1 1 32 32 GLY H H 584 8.017 8.017 7.551 0.466 18490
3826 1 16 . 1 1 33 33 MET N N 585 113.817 113.817 115.844 -2.027 18490
3827 1 16 . 1 1 33 33 MET HA H 585 4.637 4.637 4.837 -0.200 18490
3828 1 16 . 1 1 33 33 MET CA C 585 53.230 53.230 56.013 -2.783 18490
3829 1 16 . 1 1 33 33 MET CB C 585 31.595 31.595 34.839 -3.244 18490
3830 1 16 . 1 1 33 33 MET H H 585 8.057 8.057 8.160 -0.103 18490
3831 1 16 . 1 1 34 34 THR N N 586 107.993 107.993 112.445 -4.452 18490
3832 1 16 . 1 1 34 34 THR HA H 586 3.936 3.936 5.085 -1.149 18490
3833 1 16 . 1 1 34 34 THR CA C 586 55.762 55.762 60.662 -4.900 18490
3834 1 16 . 1 1 34 34 THR CB C 586 70.532 70.532 71.924 -1.391 18490
3835 1 16 . 1 1 34 34 THR H H 586 7.014 7.014 7.566 -0.552 18490
3836 1 16 . 1 1 35 35 ALA N N 587 122.076 122.076 125.070 -2.994 18490
3837 1 16 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.852 -0.056 18490
3838 1 16 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.289 -2.557 18490
3839 1 16 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.213 -2.300 18490
3840 1 16 . 1 1 35 35 ALA H H 587 9.110 9.110 9.109 0.001 18490
3841 1 16 . 1 1 36 36 VAL N N 588 120.263 120.263 123.565 -3.302 18490
3842 1 16 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.692 -0.018 18490
3843 1 16 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.512 -2.198 18490
3844 1 16 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.703 -2.758 18490
3845 1 16 . 1 1 36 36 VAL H H 588 8.656 8.656 8.181 0.475 18490
3846 1 16 . 1 1 37 37 VAL N N 589 120.768 120.768 119.765 1.003 18490
3847 1 16 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.758 0.115 18490
3848 1 16 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.485 -4.514 18490
3849 1 16 . 1 1 37 37 VAL CB C 589 31.584 31.584 35.151 -3.567 18490
3850 1 16 . 1 1 37 37 VAL H H 589 9.082 9.082 8.324 0.758 18490
3851 1 16 . 1 1 38 38 LYS N N 590 121.105 121.105 125.384 -4.279 18490
3852 1 16 . 1 1 38 38 LYS HA H 590 4.425 4.425 5.043 -0.618 18490
3853 1 16 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.522 -3.672 18490
3854 1 16 . 1 1 38 38 LYS CB C 590 32.552 32.552 34.088 -1.536 18490
3855 1 16 . 1 1 38 38 LYS H H 590 8.534 8.534 8.600 -0.066 18490
3856 1 16 . 1 1 39 39 PHE N N 591 126.314 126.314 127.441 -1.127 18490
3857 1 16 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.537 -0.212 18490
3858 1 16 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.366 -2.177 18490
3859 1 16 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.566 -1.866 18490
3860 1 16 . 1 1 39 39 PHE H H 591 8.511 8.511 8.643 -0.132 18490
3861 1 16 . 1 1 40 40 ILE N N 592 124.308 124.308 123.827 0.481 18490
3862 1 16 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.820 -0.345 18490
3863 1 16 . 1 1 40 40 ILE CA C 592 61.510 61.510 64.412 -2.902 18490
3864 1 16 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.511 -2.333 18490
3865 1 16 . 1 1 40 40 ILE H H 592 7.677 7.677 7.945 -0.268 18490
3866 1 16 . 1 1 41 41 ASP N N 593 119.217 119.217 118.930 0.287 18490
3867 1 16 . 1 1 41 41 ASP H H 593 9.043 9.043 8.739 0.304 18490
3868 1 16 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.618 0.065 18490
3869 1 16 . 1 1 43 43 GLY N N 595 106.446 106.446 107.343 -0.897 18490
3870 1 16 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.013 -1.877 18490
3871 1 16 . 1 1 43 43 GLY H H 595 8.036 8.036 8.568 -0.532 18490
3872 1 16 . 1 1 44 44 ASN N N 596 114.398 114.398 116.632 -2.234 18490
3873 1 16 . 1 1 44 44 ASN HA H 596 4.672 4.672 4.994 -0.322 18490
3874 1 16 . 1 1 44 44 ASN CA C 596 50.263 50.263 52.076 -1.813 18490
3875 1 16 . 1 1 44 44 ASN CB C 596 35.429 35.429 39.925 -4.496 18490
3876 1 16 . 1 1 44 44 ASN H H 596 8.520 8.520 8.104 0.416 18490
3877 1 16 . 1 1 45 45 TYR N N 597 120.716 120.716 113.444 7.272 18490
3878 1 16 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.765 -0.181 18490
3879 1 16 . 1 1 45 45 TYR CA C 597 53.901 53.901 56.385 -2.484 18490
3880 1 16 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.564 -4.132 18490
3881 1 16 . 1 1 45 45 TYR H H 597 8.650 8.650 7.980 0.670 18490
3882 1 16 . 1 1 46 46 GLU N N 598 118.075 118.075 118.837 -0.762 18490
3883 1 16 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.688 0.180 18490
3884 1 16 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.646 -3.436 18490
3885 1 16 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.944 -0.703 18490
3886 1 16 . 1 1 46 46 GLU H H 598 8.822 8.822 8.870 -0.048 18490
3887 1 16 . 1 1 47 47 GLU N N 599 122.692 122.692 121.203 1.489 18490
3888 1 16 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.625 0.390 18490
3889 1 16 . 1 1 47 47 GLU CA C 599 52.847 52.847 57.026 -4.179 18490
3890 1 16 . 1 1 47 47 GLU CB C 599 27.852 27.852 29.535 -1.683 18490
3891 1 16 . 1 1 47 47 GLU H H 599 8.892 8.892 8.695 0.197 18490
3892 1 16 . 1 1 48 48 VAL N N 600 125.296 125.296 123.224 2.072 18490
3893 1 16 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.436 0.149 18490
3894 1 16 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.623 -3.692 18490
3895 1 16 . 1 1 48 48 VAL CB C 600 33.645 33.645 35.894 -2.249 18490
3896 1 16 . 1 1 48 48 VAL H H 600 9.280 9.280 9.019 0.261 18490
3897 1 16 . 1 1 49 49 LEU N N 601 123.816 123.816 125.387 -1.571 18490
3898 1 16 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.615 -0.266 18490
3899 1 16 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.146 -3.521 18490
3900 1 16 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.511 -2.677 18490
3901 1 16 . 1 1 49 49 LEU H H 601 8.628 8.628 8.655 -0.027 18490
3902 1 16 . 1 1 50 50 LEU N N 602 123.131 123.131 125.735 -2.604 18490
3903 1 16 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.153 -0.424 18490
3904 1 16 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.668 -3.462 18490
3905 1 16 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.797 -3.215 18490
3906 1 16 . 1 1 50 50 LEU H H 602 8.183 8.183 8.125 0.058 18490
3907 1 16 . 1 1 51 51 SER N N 603 109.799 109.799 111.633 -1.834 18490
3908 1 16 . 1 1 51 51 SER HA H 603 4.228 4.228 4.407 -0.179 18490
3909 1 16 . 1 1 51 51 SER CA C 603 57.025 57.025 59.971 -2.946 18490
3910 1 16 . 1 1 51 51 SER CB C 603 59.696 59.696 63.005 -3.309 18490
3911 1 16 . 1 1 51 51 SER H H 603 7.731 7.731 8.531 -0.800 18490
3912 1 16 . 1 1 52 52 ASN N N 604 120.726 120.726 118.608 2.118 18490
3913 1 16 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.143 -0.009 18490
3914 1 16 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.077 -3.176 18490
3915 1 16 . 1 1 52 52 ASN CB C 604 36.854 36.854 39.755 -2.901 18490
3916 1 16 . 1 1 52 52 ASN H H 604 7.952 7.952 7.843 0.109 18490
3917 1 16 . 1 1 53 53 ILE N N 605 115.439 115.439 121.949 -6.510 18490
3918 1 16 . 1 1 53 53 ILE HA H 605 5.011 5.011 4.913 0.098 18490
3919 1 16 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.862 -3.101 18490
3920 1 16 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.129 -1.665 18490
3921 1 16 . 1 1 53 53 ILE H H 605 7.162 7.162 7.542 -0.380 18490
3922 1 16 . 1 1 54 54 LYS N N 606 122.864 122.864 127.930 -5.066 18490
3923 1 16 . 1 1 54 54 LYS H H 606 9.245 9.245 9.023 0.222 18490
3924 1 16 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.644 0.226 18490
3925 1 16 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.264 -3.321 18490
3926 1 16 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.376 -2.396 18490
3927 1 16 . 1 1 56 56 ILE N N 608 118.715 118.715 120.056 -1.341 18490
3928 1 16 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.326 -0.416 18490
3929 1 16 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.396 -3.491 18490
3930 1 16 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.901 -3.937 18490
3931 1 16 . 1 1 56 56 ILE H H 608 8.363 8.363 8.631 -0.268 18490
3932 1 16 . 1 1 57 57 LEU N N 609 124.451 124.451 121.681 2.770 18490
3933 1 16 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.576 -0.325 18490
3934 1 16 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.760 -2.753 18490
3935 1 16 . 1 1 57 57 LEU CB C 609 39.827 39.827 41.329 -1.502 18490
3936 1 16 . 1 1 57 57 LEU H H 609 8.034 8.034 7.795 0.239 18490
3937 1 17 . 1 1 2 2 LYS N N 554 126.040 126.040 123.023 3.017 18490
3938 1 17 . 1 1 2 2 LYS H H 554 7.684 7.684 8.521 -0.837 18490
3939 1 17 . 1 1 3 3 MET HA H 555 4.538 4.538 4.133 0.405 18490
3940 1 17 . 1 1 3 3 MET CA C 555 51.252 51.252 56.222 -4.970 18490
3941 1 17 . 1 1 3 3 MET CB C 555 28.816 28.816 31.827 -3.011 18490
3942 1 17 . 1 1 4 4 TRP N N 556 124.579 124.579 119.271 5.308 18490
3943 1 17 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.791 -0.239 18490
3944 1 17 . 1 1 4 4 TRP CA C 556 54.260 54.260 56.788 -2.528 18490
3945 1 17 . 1 1 4 4 TRP CB C 556 29.299 29.299 33.132 -3.833 18490
3946 1 17 . 1 1 4 4 TRP H H 556 7.686 7.686 7.354 0.332 18490
3947 1 17 . 1 1 5 5 LYS N N 557 120.748 120.748 119.692 1.056 18490
3948 1 17 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.751 -0.034 18490
3949 1 17 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.873 -4.379 18490
3950 1 17 . 1 1 5 5 LYS H H 557 8.983 8.983 8.672 0.311 18490
3951 1 17 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.419 -0.662 18490
3952 1 17 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.190 -2.218 18490
3953 1 17 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.220 -3.639 18490
3954 1 17 . 1 1 7 7 GLY N N 559 114.722 114.722 108.516 6.206 18490
3955 1 17 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.226 -3.353 18490
3956 1 17 . 1 1 7 7 GLY H H 559 9.372 9.372 8.498 0.874 18490
3957 1 17 . 1 1 8 8 ASP N N 560 121.253 121.253 120.589 0.664 18490
3958 1 17 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.843 -0.321 18490
3959 1 17 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.121 0.070 18490
3960 1 17 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.484 -4.255 18490
3961 1 17 . 1 1 8 8 ASP H H 560 7.875 7.875 7.635 0.240 18490
3962 1 17 . 1 1 9 9 GLU N N 561 121.105 121.105 124.279 -3.174 18490
3963 1 17 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.448 0.374 18490
3964 1 17 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.055 -3.998 18490
3965 1 17 . 1 1 9 9 GLU CB C 561 28.765 28.765 29.457 -0.692 18490
3966 1 17 . 1 1 9 9 GLU H H 561 8.543 8.543 8.695 -0.152 18490
3967 1 17 . 1 1 10 10 CYS N N 562 115.944 115.944 121.673 -5.729 18490
3968 1 17 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.712 0.142 18490
3969 1 17 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.349 -4.700 18490
3970 1 17 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.465 -2.682 18490
3971 1 17 . 1 1 10 10 CYS H H 562 8.627 8.627 8.835 -0.208 18490
3972 1 17 . 1 1 11 11 PHE N N 563 116.503 116.503 119.568 -3.065 18490
3973 1 17 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.108 -0.059 18490
3974 1 17 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.108 -1.967 18490
3975 1 17 . 1 1 11 11 PHE CB C 563 39.077 39.077 42.728 -3.651 18490
3976 1 17 . 1 1 11 11 PHE H H 563 8.936 8.936 9.155 -0.219 18490
3977 1 17 . 1 1 12 12 ALA N N 564 122.486 122.486 126.822 -4.336 18490
3978 1 17 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.271 0.133 18490
3979 1 17 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.271 -2.884 18490
3980 1 17 . 1 1 12 12 ALA CB C 564 21.089 21.089 22.365 -1.276 18490
3981 1 17 . 1 1 12 12 ALA H H 564 9.195 9.195 9.475 -0.280 18490
3982 1 17 . 1 1 13 13 LEU N N 565 123.611 123.611 127.188 -3.577 18490
3983 1 17 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.231 -0.867 18490
3984 1 17 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.591 -2.122 18490
3985 1 17 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.289 -0.100 18490
3986 1 17 . 1 1 13 13 LEU H H 565 7.362 7.362 8.779 -1.417 18490
3987 1 17 . 1 1 14 14 TYR N N 566 131.717 131.717 127.368 4.349 18490
3988 1 17 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.447 0.362 18490
3989 1 17 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.330 -5.834 18490
3990 1 17 . 1 1 14 14 TYR CB C 566 34.849 34.849 40.812 -5.963 18490
3991 1 17 . 1 1 14 14 TYR H H 566 9.326 9.326 8.768 0.558 18490
3992 1 17 . 1 1 15 15 TRP N N 567 128.045 128.045 119.107 8.938 18490
3993 1 17 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.751 -0.816 18490
3994 1 17 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.762 -1.985 18490
3995 1 17 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.057 -3.636 18490
3996 1 17 . 1 1 15 15 TRP H H 567 8.312 8.312 7.221 1.091 18490
3997 1 17 . 1 1 16 16 GLU N N 568 116.959 116.959 122.650 -5.691 18490
3998 1 17 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.028 -0.289 18490
3999 1 17 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.261 -1.198 18490
4000 1 17 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.517 -1.570 18490
4001 1 17 . 1 1 16 16 GLU H H 568 3.785 3.785 6.126 -2.341 18490
4002 1 17 . 1 1 17 17 ASP N N 569 111.935 111.935 114.437 -2.502 18490
4003 1 17 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.468 -0.076 18490
4004 1 17 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.313 -4.163 18490
4005 1 17 . 1 1 17 17 ASP CB C 569 38.739 38.739 39.870 -1.131 18490
4006 1 17 . 1 1 17 17 ASP H H 569 6.511 6.511 7.760 -1.249 18490
4007 1 17 . 1 1 18 18 ASN N N 570 116.485 116.485 117.012 -0.527 18490
4008 1 17 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.396 -0.494 18490
4009 1 17 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.128 -1.907 18490
4010 1 17 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.762 -2.466 18490
4011 1 17 . 1 1 18 18 ASN H H 570 8.091 8.091 8.230 -0.139 18490
4012 1 17 . 1 1 19 19 LYS N N 571 116.593 116.593 118.374 -1.781 18490
4013 1 17 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.480 -0.118 18490
4014 1 17 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.041 -2.216 18490
4015 1 17 . 1 1 19 19 LYS CB C 571 32.236 32.236 35.034 -2.798 18490
4016 1 17 . 1 1 19 19 LYS H H 571 7.514 7.514 8.016 -0.502 18490
4017 1 17 . 1 1 20 20 PHE N N 572 118.347 118.347 121.452 -3.105 18490
4018 1 17 . 1 1 20 20 PHE HA H 572 4.865 4.865 5.096 -0.231 18490
4019 1 17 . 1 1 20 20 PHE CA C 572 55.573 55.573 57.835 -2.262 18490
4020 1 17 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.480 -0.956 18490
4021 1 17 . 1 1 20 20 PHE H H 572 8.267 8.267 8.583 -0.316 18490
4022 1 17 . 1 1 21 21 TYR N N 573 117.867 117.867 124.509 -6.642 18490
4023 1 17 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.106 -0.157 18490
4024 1 17 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.794 -2.710 18490
4025 1 17 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.049 -0.850 18490
4026 1 17 . 1 1 21 21 TYR H H 573 8.726 8.726 9.143 -0.417 18490
4027 1 17 . 1 1 22 22 ARG N N 574 122.076 122.076 121.135 0.941 18490
4028 1 17 . 1 1 22 22 ARG HA H 574 4.175 4.175 3.952 0.223 18490
4029 1 17 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.181 -2.562 18490
4030 1 17 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.265 -2.493 18490
4031 1 17 . 1 1 22 22 ARG H H 574 9.110 9.110 8.868 0.242 18490
4032 1 17 . 1 1 23 23 ALA N N 575 127.941 127.941 125.262 2.679 18490
4033 1 17 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.991 0.023 18490
4034 1 17 . 1 1 23 23 ALA CA C 575 48.488 48.488 51.269 -2.781 18490
4035 1 17 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.829 -2.136 18490
4036 1 17 . 1 1 23 23 ALA H H 575 9.307 9.307 8.903 0.404 18490
4037 1 17 . 1 1 24 24 GLU N N 576 118.347 118.347 124.678 -6.331 18490
4038 1 17 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.318 0.655 18490
4039 1 17 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.307 -4.114 18490
4040 1 17 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.472 0.508 18490
4041 1 17 . 1 1 24 24 GLU H H 576 8.267 8.267 8.606 -0.339 18490
4042 1 17 . 1 1 25 25 VAL N N 577 124.034 124.034 126.851 -2.817 18490
4043 1 17 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.555 -0.153 18490
4044 1 17 . 1 1 25 25 VAL CA C 577 62.184 62.184 65.019 -2.835 18490
4045 1 17 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.316 -2.520 18490
4046 1 17 . 1 1 25 25 VAL H H 577 8.840 8.840 8.460 0.380 18490
4047 1 17 . 1 1 26 26 GLU N N 578 131.333 131.333 129.048 2.285 18490
4048 1 17 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.397 0.079 18490
4049 1 17 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.236 -2.035 18490
4050 1 17 . 1 1 26 26 GLU CB C 578 27.969 27.969 32.087 -4.118 18490
4051 1 17 . 1 1 26 26 GLU H H 578 9.368 9.368 8.893 0.475 18490
4052 1 17 . 1 1 27 27 ALA N N 579 117.488 117.488 122.790 -5.302 18490
4053 1 17 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.653 -0.339 18490
4054 1 17 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.376 -3.234 18490
4055 1 17 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.535 -0.972 18490
4056 1 17 . 1 1 27 27 ALA H H 579 7.681 7.681 8.260 -0.579 18490
4057 1 17 . 1 1 28 28 LEU N N 580 122.399 122.399 126.052 -3.653 18490
4058 1 17 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.582 -0.042 18490
4059 1 17 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.392 -3.658 18490
4060 1 17 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.174 -0.567 18490
4061 1 17 . 1 1 28 28 LEU H H 580 8.860 8.860 8.678 0.182 18490
4062 1 17 . 1 1 29 29 HIS N N 581 123.783 123.783 118.506 5.277 18490
4063 1 17 . 1 1 29 29 HIS H H 581 7.867 7.867 7.893 -0.026 18490
4064 1 17 . 1 1 30 30 SER N N 582 109.799 109.799 118.563 -8.764 18490
4065 1 17 . 1 1 30 30 SER H H 582 7.731 7.731 7.670 0.061 18490
4066 1 17 . 1 1 31 31 SER HA H 583 4.191 4.191 4.151 0.040 18490
4067 1 17 . 1 1 31 31 SER CA C 583 57.135 57.135 59.589 -2.454 18490
4068 1 17 . 1 1 31 31 SER CB C 583 61.202 61.202 61.568 -0.366 18490
4069 1 17 . 1 1 32 32 GLY N N 584 108.532 108.532 107.912 0.620 18490
4070 1 17 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.789 -2.505 18490
4071 1 17 . 1 1 32 32 GLY H H 584 8.017 8.017 8.494 -0.477 18490
4072 1 17 . 1 1 33 33 MET N N 585 113.817 113.817 112.302 1.515 18490
4073 1 17 . 1 1 33 33 MET HA H 585 4.637 4.637 4.811 -0.174 18490
4074 1 17 . 1 1 33 33 MET CA C 585 53.230 53.230 56.010 -2.780 18490
4075 1 17 . 1 1 33 33 MET CB C 585 31.595 31.595 34.371 -2.776 18490
4076 1 17 . 1 1 33 33 MET H H 585 8.057 8.057 7.671 0.386 18490
4077 1 17 . 1 1 34 34 THR N N 586 107.993 107.993 113.624 -5.631 18490
4078 1 17 . 1 1 34 34 THR HA H 586 3.936 3.936 5.045 -1.109 18490
4079 1 17 . 1 1 34 34 THR CA C 586 55.762 55.762 59.528 -3.766 18490
4080 1 17 . 1 1 34 34 THR CB C 586 70.532 70.532 72.060 -1.528 18490
4081 1 17 . 1 1 34 34 THR H H 586 7.014 7.014 7.914 -0.900 18490
4082 1 17 . 1 1 35 35 ALA N N 587 122.076 122.076 120.521 1.555 18490
4083 1 17 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.759 0.037 18490
4084 1 17 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.409 -3.677 18490
4085 1 17 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.188 -2.275 18490
4086 1 17 . 1 1 35 35 ALA H H 587 9.110 9.110 8.264 0.846 18490
4087 1 17 . 1 1 36 36 VAL N N 588 120.263 120.263 123.179 -2.916 18490
4088 1 17 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.832 -0.158 18490
4089 1 17 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.160 -1.846 18490
4090 1 17 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.911 -2.966 18490
4091 1 17 . 1 1 36 36 VAL H H 588 8.656 8.656 8.292 0.364 18490
4092 1 17 . 1 1 37 37 VAL N N 589 120.768 120.768 120.028 0.740 18490
4093 1 17 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.723 0.150 18490
4094 1 17 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.220 -4.249 18490
4095 1 17 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.952 -3.368 18490
4096 1 17 . 1 1 37 37 VAL H H 589 9.082 9.082 8.474 0.608 18490
4097 1 17 . 1 1 38 38 LYS N N 590 121.105 121.105 125.273 -4.168 18490
4098 1 17 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.896 -0.471 18490
4099 1 17 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.405 -3.555 18490
4100 1 17 . 1 1 38 38 LYS CB C 590 32.552 32.552 34.377 -1.825 18490
4101 1 17 . 1 1 38 38 LYS H H 590 8.534 8.534 8.779 -0.245 18490
4102 1 17 . 1 1 39 39 PHE N N 591 126.314 126.314 127.494 -1.180 18490
4103 1 17 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.688 -0.363 18490
4104 1 17 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.062 -0.874 18490
4105 1 17 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.700 -2.000 18490
4106 1 17 . 1 1 39 39 PHE H H 591 8.511 8.511 8.256 0.255 18490
4107 1 17 . 1 1 40 40 ILE N N 592 124.308 124.308 123.992 0.316 18490
4108 1 17 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.791 -0.316 18490
4109 1 17 . 1 1 40 40 ILE CA C 592 61.510 61.510 64.229 -2.719 18490
4110 1 17 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.477 -2.299 18490
4111 1 17 . 1 1 40 40 ILE H H 592 7.677 7.677 7.958 -0.281 18490
4112 1 17 . 1 1 41 41 ASP N N 593 119.217 119.217 118.398 0.819 18490
4113 1 17 . 1 1 41 41 ASP H H 593 9.043 9.043 8.492 0.551 18490
4114 1 17 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.624 0.059 18490
4115 1 17 . 1 1 43 43 GLY N N 595 106.446 106.446 108.600 -2.154 18490
4116 1 17 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.353 -2.217 18490
4117 1 17 . 1 1 43 43 GLY H H 595 8.036 8.036 8.712 -0.676 18490
4118 1 17 . 1 1 44 44 ASN N N 596 114.398 114.398 115.750 -1.352 18490
4119 1 17 . 1 1 44 44 ASN HA H 596 4.672 4.672 4.924 -0.252 18490
4120 1 17 . 1 1 44 44 ASN CA C 596 50.263 50.263 52.050 -1.787 18490
4121 1 17 . 1 1 44 44 ASN CB C 596 35.429 35.429 39.832 -4.403 18490
4122 1 17 . 1 1 44 44 ASN H H 596 8.520 8.520 8.054 0.466 18490
4123 1 17 . 1 1 45 45 TYR N N 597 120.716 120.716 113.659 7.057 18490
4124 1 17 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.612 -0.028 18490
4125 1 17 . 1 1 45 45 TYR CA C 597 53.901 53.901 56.241 -2.340 18490
4126 1 17 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.353 -3.921 18490
4127 1 17 . 1 1 45 45 TYR H H 597 8.650 8.650 7.978 0.672 18490
4128 1 17 . 1 1 46 46 GLU N N 598 118.075 118.075 120.070 -1.995 18490
4129 1 17 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.727 0.141 18490
4130 1 17 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.473 -3.263 18490
4131 1 17 . 1 1 46 46 GLU CB C 598 32.241 32.241 33.175 -0.933 18490
4132 1 17 . 1 1 46 46 GLU H H 598 8.822 8.822 8.634 0.188 18490
4133 1 17 . 1 1 47 47 GLU N N 599 122.692 122.692 121.218 1.474 18490
4134 1 17 . 1 1 47 47 GLU HA H 599 5.015 5.015 5.093 -0.078 18490
4135 1 17 . 1 1 47 47 GLU CA C 599 52.847 52.847 55.871 -3.024 18490
4136 1 17 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.750 -2.898 18490
4137 1 17 . 1 1 47 47 GLU H H 599 8.892 8.892 8.658 0.234 18490
4138 1 17 . 1 1 48 48 VAL N N 600 125.296 125.296 122.703 2.593 18490
4139 1 17 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.350 0.235 18490
4140 1 17 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.285 -3.353 18490
4141 1 17 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.258 -2.614 18490
4142 1 17 . 1 1 48 48 VAL H H 600 9.280 9.280 8.639 0.641 18490
4143 1 17 . 1 1 49 49 LEU N N 601 123.816 123.816 126.031 -2.215 18490
4144 1 17 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.402 -0.053 18490
4145 1 17 . 1 1 49 49 LEU CA C 601 52.625 52.625 55.562 -2.937 18490
4146 1 17 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.250 -2.416 18490
4147 1 17 . 1 1 49 49 LEU H H 601 8.628 8.628 8.450 0.178 18490
4148 1 17 . 1 1 50 50 LEU N N 602 123.131 123.131 126.493 -3.362 18490
4149 1 17 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.065 -0.336 18490
4150 1 17 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.847 -3.641 18490
4151 1 17 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.561 -2.979 18490
4152 1 17 . 1 1 50 50 LEU H H 602 8.183 8.183 8.212 -0.029 18490
4153 1 17 . 1 1 51 51 SER N N 603 109.799 109.799 110.287 -0.488 18490
4154 1 17 . 1 1 51 51 SER HA H 603 4.228 4.228 4.359 -0.131 18490
4155 1 17 . 1 1 51 51 SER CA C 603 57.025 57.025 60.081 -3.056 18490
4156 1 17 . 1 1 51 51 SER CB C 603 59.696 59.696 62.882 -3.186 18490
4157 1 17 . 1 1 51 51 SER H H 603 7.731 7.731 8.596 -0.865 18490
4158 1 17 . 1 1 52 52 ASN N N 604 120.726 120.726 119.577 1.149 18490
4159 1 17 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.201 -0.067 18490
4160 1 17 . 1 1 52 52 ASN CA C 604 49.901 49.901 52.894 -2.993 18490
4161 1 17 . 1 1 52 52 ASN CB C 604 36.854 36.854 39.651 -2.797 18490
4162 1 17 . 1 1 52 52 ASN H H 604 7.952 7.952 8.179 -0.227 18490
4163 1 17 . 1 1 53 53 ILE N N 605 115.439 115.439 120.001 -4.562 18490
4164 1 17 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.196 -0.185 18490
4165 1 17 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.839 -3.078 18490
4166 1 17 . 1 1 53 53 ILE CB C 605 37.464 37.464 41.072 -3.608 18490
4167 1 17 . 1 1 53 53 ILE H H 605 7.162 7.162 7.514 -0.352 18490
4168 1 17 . 1 1 54 54 LYS N N 606 122.864 122.864 126.054 -3.190 18490
4169 1 17 . 1 1 54 54 LYS H H 606 9.245 9.245 9.180 0.065 18490
4170 1 17 . 1 1 55 55 PRO HA H 607 4.870 4.870 5.052 -0.182 18490
4171 1 17 . 1 1 55 55 PRO CA C 607 59.942 59.942 62.416 -2.474 18490
4172 1 17 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.585 -2.605 18490
4173 1 17 . 1 1 56 56 ILE N N 608 118.715 118.715 121.465 -2.750 18490
4174 1 17 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.133 -0.223 18490
4175 1 17 . 1 1 56 56 ILE CA C 608 58.905 58.905 63.618 -4.713 18490
4176 1 17 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.606 -3.642 18490
4177 1 17 . 1 1 56 56 ILE H H 608 8.363 8.363 8.973 -0.610 18490
4178 1 17 . 1 1 57 57 LEU N N 609 124.451 124.451 116.766 7.685 18490
4179 1 17 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.931 -0.680 18490
4180 1 17 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.018 -2.011 18490
4181 1 17 . 1 1 57 57 LEU CB C 609 39.827 39.827 44.065 -4.238 18490
4182 1 17 . 1 1 57 57 LEU H H 609 8.034 8.034 7.693 0.341 18490
4183 1 18 . 1 1 2 2 LYS N N 554 126.040 126.040 124.220 1.820 18490
4184 1 18 . 1 1 2 2 LYS H H 554 7.684 7.684 8.978 -1.294 18490
4185 1 18 . 1 1 3 3 MET HA H 555 4.538 4.538 4.674 -0.136 18490
4186 1 18 . 1 1 3 3 MET CA C 555 51.252 51.252 54.967 -3.715 18490
4187 1 18 . 1 1 3 3 MET CB C 555 28.816 28.816 34.194 -5.378 18490
4188 1 18 . 1 1 4 4 TRP N N 556 124.579 124.579 123.895 0.684 18490
4189 1 18 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.560 -0.008 18490
4190 1 18 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.626 -3.366 18490
4191 1 18 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.073 -0.774 18490
4192 1 18 . 1 1 4 4 TRP H H 556 7.686 7.686 8.342 -0.656 18490
4193 1 18 . 1 1 5 5 LYS N N 557 120.748 120.748 121.260 -0.512 18490
4194 1 18 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.721 -0.004 18490
4195 1 18 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.193 -3.699 18490
4196 1 18 . 1 1 5 5 LYS H H 557 8.983 8.983 8.466 0.517 18490
4197 1 18 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.336 -0.579 18490
4198 1 18 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.495 -2.523 18490
4199 1 18 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.133 -3.552 18490
4200 1 18 . 1 1 7 7 GLY N N 559 114.722 114.722 110.146 4.576 18490
4201 1 18 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.022 -3.149 18490
4202 1 18 . 1 1 7 7 GLY H H 559 9.372 9.372 8.325 1.047 18490
4203 1 18 . 1 1 8 8 ASP N N 560 121.253 121.253 121.294 -0.041 18490
4204 1 18 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.844 -0.322 18490
4205 1 18 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.243 -0.052 18490
4206 1 18 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.060 -3.831 18490
4207 1 18 . 1 1 8 8 ASP H H 560 7.875 7.875 7.651 0.224 18490
4208 1 18 . 1 1 9 9 GLU N N 561 121.105 121.105 124.073 -2.968 18490
4209 1 18 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.368 0.454 18490
4210 1 18 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.931 -3.874 18490
4211 1 18 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.558 0.207 18490
4212 1 18 . 1 1 9 9 GLU H H 561 8.543 8.543 8.601 -0.058 18490
4213 1 18 . 1 1 10 10 CYS N N 562 115.944 115.944 121.449 -5.505 18490
4214 1 18 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.809 0.045 18490
4215 1 18 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.176 -4.527 18490
4216 1 18 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.264 -2.481 18490
4217 1 18 . 1 1 10 10 CYS H H 562 8.627 8.627 8.926 -0.299 18490
4218 1 18 . 1 1 11 11 PHE N N 563 116.503 116.503 120.579 -4.076 18490
4219 1 18 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.125 -0.076 18490
4220 1 18 . 1 1 11 11 PHE CA C 563 55.141 55.141 57.192 -2.051 18490
4221 1 18 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.963 -2.886 18490
4222 1 18 . 1 1 11 11 PHE H H 563 8.936 8.936 9.054 -0.118 18490
4223 1 18 . 1 1 12 12 ALA N N 564 122.486 122.486 128.108 -5.622 18490
4224 1 18 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.257 0.147 18490
4225 1 18 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.045 -2.658 18490
4226 1 18 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.838 -0.749 18490
4227 1 18 . 1 1 12 12 ALA H H 564 9.195 9.195 9.471 -0.276 18490
4228 1 18 . 1 1 13 13 LEU N N 565 123.611 123.611 127.067 -3.456 18490
4229 1 18 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.228 -0.864 18490
4230 1 18 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.366 -1.897 18490
4231 1 18 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.291 -0.102 18490
4232 1 18 . 1 1 13 13 LEU H H 565 7.362 7.362 8.651 -1.289 18490
4233 1 18 . 1 1 14 14 TYR N N 566 131.717 131.717 127.410 4.307 18490
4234 1 18 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.443 0.366 18490
4235 1 18 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.591 -6.095 18490
4236 1 18 . 1 1 14 14 TYR CB C 566 34.849 34.849 40.983 -6.134 18490
4237 1 18 . 1 1 14 14 TYR H H 566 9.326 9.326 9.005 0.321 18490
4238 1 18 . 1 1 15 15 TRP N N 567 128.045 128.045 122.272 5.773 18490
4239 1 18 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.626 -0.691 18490
4240 1 18 . 1 1 15 15 TRP CA C 567 55.777 55.777 57.935 -2.158 18490
4241 1 18 . 1 1 15 15 TRP CB C 567 25.421 25.421 28.755 -3.334 18490
4242 1 18 . 1 1 15 15 TRP H H 567 8.312 8.312 7.390 0.922 18490
4243 1 18 . 1 1 16 16 GLU N N 568 116.959 116.959 121.081 -4.122 18490
4244 1 18 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.368 -0.629 18490
4245 1 18 . 1 1 16 16 GLU CA C 568 57.063 57.063 57.990 -0.927 18490
4246 1 18 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.237 -1.290 18490
4247 1 18 . 1 1 16 16 GLU H H 568 3.785 3.785 6.528 -2.743 18490
4248 1 18 . 1 1 17 17 ASP N N 569 111.935 111.935 115.521 -3.586 18490
4249 1 18 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.456 -0.064 18490
4250 1 18 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.532 -4.382 18490
4251 1 18 . 1 1 17 17 ASP CB C 569 38.739 38.739 39.983 -1.244 18490
4252 1 18 . 1 1 17 17 ASP H H 569 6.511 6.511 7.725 -1.214 18490
4253 1 18 . 1 1 18 18 ASN N N 570 116.485 116.485 118.599 -2.114 18490
4254 1 18 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.366 -0.464 18490
4255 1 18 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.307 -2.086 18490
4256 1 18 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.892 -2.596 18490
4257 1 18 . 1 1 18 18 ASN H H 570 8.091 8.091 8.242 -0.151 18490
4258 1 18 . 1 1 19 19 LYS N N 571 116.593 116.593 118.607 -2.014 18490
4259 1 18 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.585 -0.223 18490
4260 1 18 . 1 1 19 19 LYS CA C 571 51.825 51.825 53.964 -2.139 18490
4261 1 18 . 1 1 19 19 LYS CB C 571 32.236 32.236 35.975 -3.739 18490
4262 1 18 . 1 1 19 19 LYS H H 571 7.514 7.514 7.721 -0.207 18490
4263 1 18 . 1 1 20 20 PHE N N 572 118.347 118.347 120.441 -2.094 18490
4264 1 18 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.923 -0.058 18490
4265 1 18 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.364 -2.791 18490
4266 1 18 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.960 -1.436 18490
4267 1 18 . 1 1 20 20 PHE H H 572 8.267 8.267 8.611 -0.344 18490
4268 1 18 . 1 1 21 21 TYR N N 573 117.867 117.867 120.301 -2.434 18490
4269 1 18 . 1 1 21 21 TYR HA H 573 4.949 4.949 4.970 -0.021 18490
4270 1 18 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.840 -2.756 18490
4271 1 18 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.493 -1.294 18490
4272 1 18 . 1 1 21 21 TYR H H 573 8.726 8.726 9.094 -0.368 18490
4273 1 18 . 1 1 22 22 ARG N N 574 122.076 122.076 121.586 0.490 18490
4274 1 18 . 1 1 22 22 ARG HA H 574 4.175 4.175 3.820 0.355 18490
4275 1 18 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.194 -2.574 18490
4276 1 18 . 1 1 22 22 ARG CB C 574 27.772 27.772 29.825 -2.053 18490
4277 1 18 . 1 1 22 22 ARG H H 574 9.110 9.110 8.801 0.309 18490
4278 1 18 . 1 1 23 23 ALA N N 575 127.941 127.941 126.707 1.234 18490
4279 1 18 . 1 1 23 23 ALA HA H 575 5.014 5.014 5.012 0.002 18490
4280 1 18 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.942 -2.454 18490
4281 1 18 . 1 1 23 23 ALA CB C 575 20.693 20.693 23.169 -2.476 18490
4282 1 18 . 1 1 23 23 ALA H H 575 9.307 9.307 9.025 0.282 18490
4283 1 18 . 1 1 24 24 GLU N N 576 118.347 118.347 123.596 -5.249 18490
4284 1 18 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.473 0.500 18490
4285 1 18 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.861 -3.668 18490
4286 1 18 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.492 0.487 18490
4287 1 18 . 1 1 24 24 GLU H H 576 8.267 8.267 8.655 -0.388 18490
4288 1 18 . 1 1 25 25 VAL N N 577 124.034 124.034 126.667 -2.633 18490
4289 1 18 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.529 -0.127 18490
4290 1 18 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.869 -2.685 18490
4291 1 18 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.358 -2.562 18490
4292 1 18 . 1 1 25 25 VAL H H 577 8.840 8.840 8.460 0.380 18490
4293 1 18 . 1 1 26 26 GLU N N 578 131.333 131.333 129.897 1.436 18490
4294 1 18 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.435 0.041 18490
4295 1 18 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.238 -2.037 18490
4296 1 18 . 1 1 26 26 GLU CB C 578 27.969 27.969 32.405 -4.436 18490
4297 1 18 . 1 1 26 26 GLU H H 578 9.368 9.368 8.641 0.727 18490
4298 1 18 . 1 1 27 27 ALA N N 579 117.488 117.488 122.206 -4.718 18490
4299 1 18 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.575 -0.261 18490
4300 1 18 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.216 -3.074 18490
4301 1 18 . 1 1 27 27 ALA CB C 579 19.563 19.563 19.817 -0.254 18490
4302 1 18 . 1 1 27 27 ALA H H 579 7.681 7.681 7.918 -0.237 18490
4303 1 18 . 1 1 28 28 LEU N N 580 122.399 122.399 125.028 -2.629 18490
4304 1 18 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.429 0.111 18490
4305 1 18 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.880 -4.146 18490
4306 1 18 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.604 -0.997 18490
4307 1 18 . 1 1 28 28 LEU H H 580 8.860 8.860 8.688 0.172 18490
4308 1 18 . 1 1 29 29 HIS N N 581 123.783 123.783 114.296 9.487 18490
4309 1 18 . 1 1 29 29 HIS H H 581 7.867 7.867 7.417 0.450 18490
4310 1 18 . 1 1 30 30 SER N N 582 109.799 109.799 116.266 -6.467 18490
4311 1 18 . 1 1 30 30 SER H H 582 7.731 7.731 8.209 -0.478 18490
4312 1 18 . 1 1 31 31 SER HA H 583 4.191 4.191 4.524 -0.333 18490
4313 1 18 . 1 1 31 31 SER CA C 583 57.135 57.135 58.679 -1.544 18490
4314 1 18 . 1 1 31 31 SER CB C 583 61.202 61.202 63.992 -2.790 18490
4315 1 18 . 1 1 32 32 GLY N N 584 108.532 108.532 110.683 -2.151 18490
4316 1 18 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.630 -2.346 18490
4317 1 18 . 1 1 32 32 GLY H H 584 8.017 8.017 8.503 -0.486 18490
4318 1 18 . 1 1 33 33 MET N N 585 113.817 113.817 117.261 -3.444 18490
4319 1 18 . 1 1 33 33 MET HA H 585 4.637 4.637 4.886 -0.249 18490
4320 1 18 . 1 1 33 33 MET CA C 585 53.230 53.230 56.105 -2.875 18490
4321 1 18 . 1 1 33 33 MET CB C 585 31.595 31.595 34.532 -2.937 18490
4322 1 18 . 1 1 33 33 MET H H 585 8.057 8.057 7.829 0.228 18490
4323 1 18 . 1 1 34 34 THR N N 586 107.993 107.993 112.853 -4.860 18490
4324 1 18 . 1 1 34 34 THR HA H 586 3.936 3.936 4.886 -0.950 18490
4325 1 18 . 1 1 34 34 THR CA C 586 55.762 55.762 60.254 -4.492 18490
4326 1 18 . 1 1 34 34 THR CB C 586 70.532 70.532 71.252 -0.720 18490
4327 1 18 . 1 1 34 34 THR H H 586 7.014 7.014 7.971 -0.957 18490
4328 1 18 . 1 1 35 35 ALA N N 587 122.076 122.076 121.584 0.492 18490
4329 1 18 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.930 -0.134 18490
4330 1 18 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.730 -2.998 18490
4331 1 18 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.392 -2.479 18490
4332 1 18 . 1 1 35 35 ALA H H 587 9.110 9.110 8.217 0.893 18490
4333 1 18 . 1 1 36 36 VAL N N 588 120.263 120.263 122.548 -2.285 18490
4334 1 18 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.899 -0.225 18490
4335 1 18 . 1 1 36 36 VAL CA C 588 59.314 59.314 60.891 -1.577 18490
4336 1 18 . 1 1 36 36 VAL CB C 588 29.945 29.945 33.133 -3.188 18490
4337 1 18 . 1 1 36 36 VAL H H 588 8.656 8.656 8.240 0.416 18490
4338 1 18 . 1 1 37 37 VAL N N 589 120.768 120.768 121.595 -0.827 18490
4339 1 18 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.472 0.401 18490
4340 1 18 . 1 1 37 37 VAL CA C 589 54.971 54.971 58.950 -3.978 18490
4341 1 18 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.567 -2.983 18490
4342 1 18 . 1 1 37 37 VAL H H 589 9.082 9.082 8.326 0.756 18490
4343 1 18 . 1 1 38 38 LYS N N 590 121.105 121.105 124.937 -3.832 18490
4344 1 18 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.723 -0.298 18490
4345 1 18 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.249 -3.399 18490
4346 1 18 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.550 -0.998 18490
4347 1 18 . 1 1 38 38 LYS H H 590 8.534 8.534 8.413 0.121 18490
4348 1 18 . 1 1 39 39 PHE N N 591 126.314 126.314 127.440 -1.126 18490
4349 1 18 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.613 -0.288 18490
4350 1 18 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.136 -0.947 18490
4351 1 18 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.814 -2.114 18490
4352 1 18 . 1 1 39 39 PHE H H 591 8.511 8.511 8.612 -0.101 18490
4353 1 18 . 1 1 40 40 ILE N N 592 124.308 124.308 124.201 0.107 18490
4354 1 18 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.911 -0.436 18490
4355 1 18 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.907 -2.397 18490
4356 1 18 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.648 -2.470 18490
4357 1 18 . 1 1 40 40 ILE H H 592 7.677 7.677 7.895 -0.218 18490
4358 1 18 . 1 1 41 41 ASP N N 593 119.217 119.217 117.868 1.349 18490
4359 1 18 . 1 1 41 41 ASP H H 593 9.043 9.043 8.452 0.591 18490
4360 1 18 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.744 -0.061 18490
4361 1 18 . 1 1 43 43 GLY N N 595 106.446 106.446 108.490 -2.044 18490
4362 1 18 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.386 -2.250 18490
4363 1 18 . 1 1 43 43 GLY H H 595 8.036 8.036 8.948 -0.912 18490
4364 1 18 . 1 1 44 44 ASN N N 596 114.398 114.398 116.365 -1.967 18490
4365 1 18 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.116 -0.444 18490
4366 1 18 . 1 1 44 44 ASN CA C 596 50.263 50.263 52.151 -1.888 18490
4367 1 18 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.524 -5.095 18490
4368 1 18 . 1 1 44 44 ASN H H 596 8.520 8.520 7.755 0.765 18490
4369 1 18 . 1 1 45 45 TYR N N 597 120.716 120.716 115.258 5.458 18490
4370 1 18 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.604 -0.020 18490
4371 1 18 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.601 -1.700 18490
4372 1 18 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.198 -3.766 18490
4373 1 18 . 1 1 45 45 TYR H H 597 8.650 8.650 8.370 0.280 18490
4374 1 18 . 1 1 46 46 GLU N N 598 118.075 118.075 117.382 0.693 18490
4375 1 18 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.572 0.296 18490
4376 1 18 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.983 -3.773 18490
4377 1 18 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.254 -0.013 18490
4378 1 18 . 1 1 46 46 GLU H H 598 8.822 8.822 8.632 0.190 18490
4379 1 18 . 1 1 47 47 GLU N N 599 122.692 122.692 120.448 2.244 18490
4380 1 18 . 1 1 47 47 GLU HA H 599 5.015 5.015 5.153 -0.138 18490
4381 1 18 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.283 -3.436 18490
4382 1 18 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.560 -2.708 18490
4383 1 18 . 1 1 47 47 GLU H H 599 8.892 8.892 8.534 0.358 18490
4384 1 18 . 1 1 48 48 VAL N N 600 125.296 125.296 124.440 0.856 18490
4385 1 18 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.412 0.173 18490
4386 1 18 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.574 -3.642 18490
4387 1 18 . 1 1 48 48 VAL CB C 600 33.645 33.645 34.472 -0.827 18490
4388 1 18 . 1 1 48 48 VAL H H 600 9.280 9.280 8.967 0.313 18490
4389 1 18 . 1 1 49 49 LEU N N 601 123.816 123.816 126.771 -2.955 18490
4390 1 18 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.271 0.078 18490
4391 1 18 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.036 -3.411 18490
4392 1 18 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.678 -2.844 18490
4393 1 18 . 1 1 49 49 LEU H H 601 8.628 8.628 8.731 -0.103 18490
4394 1 18 . 1 1 50 50 LEU N N 602 123.131 123.131 126.883 -3.752 18490
4395 1 18 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.130 -0.402 18490
4396 1 18 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.699 -3.493 18490
4397 1 18 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.842 -3.260 18490
4398 1 18 . 1 1 50 50 LEU H H 602 8.183 8.183 9.062 -0.879 18490
4399 1 18 . 1 1 51 51 SER N N 603 109.799 109.799 112.259 -2.460 18490
4400 1 18 . 1 1 51 51 SER HA H 603 4.228 4.228 4.483 -0.255 18490
4401 1 18 . 1 1 51 51 SER CA C 603 57.025 57.025 59.940 -2.915 18490
4402 1 18 . 1 1 51 51 SER CB C 603 59.696 59.696 62.620 -2.924 18490
4403 1 18 . 1 1 51 51 SER H H 603 7.731 7.731 8.605 -0.874 18490
4404 1 18 . 1 1 52 52 ASN N N 604 120.726 120.726 119.260 1.466 18490
4405 1 18 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.105 0.029 18490
4406 1 18 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.187 -3.286 18490
4407 1 18 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.373 -3.518 18490
4408 1 18 . 1 1 52 52 ASN H H 604 7.952 7.952 8.169 -0.217 18490
4409 1 18 . 1 1 53 53 ILE N N 605 115.439 115.439 121.358 -5.919 18490
4410 1 18 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.091 -0.080 18490
4411 1 18 . 1 1 53 53 ILE CA C 605 57.761 57.761 60.896 -3.135 18490
4412 1 18 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.195 -1.731 18490
4413 1 18 . 1 1 53 53 ILE H H 605 7.162 7.162 7.571 -0.409 18490
4414 1 18 . 1 1 54 54 LYS N N 606 122.864 122.864 126.997 -4.133 18490
4415 1 18 . 1 1 54 54 LYS H H 606 9.245 9.245 9.330 -0.085 18490
4416 1 18 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.747 0.123 18490
4417 1 18 . 1 1 55 55 PRO CA C 607 59.942 59.942 62.943 -3.001 18490
4418 1 18 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.391 -2.410 18490
4419 1 18 . 1 1 56 56 ILE N N 608 118.715 118.715 120.107 -1.392 18490
4420 1 18 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.214 -0.304 18490
4421 1 18 . 1 1 56 56 ILE CA C 608 58.905 58.905 63.185 -4.280 18490
4422 1 18 . 1 1 56 56 ILE CB C 608 34.964 34.964 37.931 -2.967 18490
4423 1 18 . 1 1 56 56 ILE H H 608 8.363 8.363 8.837 -0.474 18490
4424 1 18 . 1 1 57 57 LEU N N 609 124.451 124.451 117.400 7.051 18490
4425 1 18 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.437 -0.186 18490
4426 1 18 . 1 1 57 57 LEU CA C 609 52.007 52.007 55.714 -3.707 18490
4427 1 18 . 1 1 57 57 LEU CB C 609 39.827 39.827 42.717 -2.890 18490
4428 1 18 . 1 1 57 57 LEU H H 609 8.034 8.034 7.963 0.071 18490
4429 1 19 . 1 1 2 2 LYS N N 554 126.040 126.040 121.170 4.870 18490
4430 1 19 . 1 1 2 2 LYS H H 554 7.684 7.684 8.288 -0.604 18490
4431 1 19 . 1 1 3 3 MET HA H 555 4.538 4.538 4.364 0.174 18490
4432 1 19 . 1 1 3 3 MET CA C 555 51.252 51.252 55.575 -4.322 18490
4433 1 19 . 1 1 3 3 MET CB C 555 28.816 28.816 33.267 -4.452 18490
4434 1 19 . 1 1 4 4 TRP N N 556 124.579 124.579 126.707 -2.128 18490
4435 1 19 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.630 -0.078 18490
4436 1 19 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.337 -3.077 18490
4437 1 19 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.483 -1.184 18490
4438 1 19 . 1 1 4 4 TRP H H 556 7.686 7.686 8.327 -0.641 18490
4439 1 19 . 1 1 5 5 LYS N N 557 120.748 120.748 120.327 0.421 18490
4440 1 19 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.729 -0.012 18490
4441 1 19 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.498 -4.004 18490
4442 1 19 . 1 1 5 5 LYS H H 557 8.983 8.983 8.598 0.385 18490
4443 1 19 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.232 -0.475 18490
4444 1 19 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.298 -2.326 18490
4445 1 19 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.004 -3.423 18490
4446 1 19 . 1 1 7 7 GLY N N 559 114.722 114.722 110.859 3.863 18490
4447 1 19 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.001 -3.128 18490
4448 1 19 . 1 1 7 7 GLY H H 559 9.372 9.372 8.166 1.206 18490
4449 1 19 . 1 1 8 8 ASP N N 560 121.253 121.253 121.452 -0.199 18490
4450 1 19 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.873 -0.351 18490
4451 1 19 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.714 -0.523 18490
4452 1 19 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.758 -4.529 18490
4453 1 19 . 1 1 8 8 ASP H H 560 7.875 7.875 7.676 0.199 18490
4454 1 19 . 1 1 9 9 GLU N N 561 121.105 121.105 122.969 -1.864 18490
4455 1 19 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.220 0.602 18490
4456 1 19 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.379 -4.322 18490
4457 1 19 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.375 0.390 18490
4458 1 19 . 1 1 9 9 GLU H H 561 8.543 8.543 8.621 -0.078 18490
4459 1 19 . 1 1 10 10 CYS N N 562 115.944 115.944 121.766 -5.822 18490
4460 1 19 . 1 1 10 10 CYS HA H 562 4.854 4.854 5.226 -0.372 18490
4461 1 19 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.369 -3.720 18490
4462 1 19 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.208 -2.425 18490
4463 1 19 . 1 1 10 10 CYS H H 562 8.627 8.627 8.788 -0.161 18490
4464 1 19 . 1 1 11 11 PHE N N 563 116.503 116.503 120.538 -4.035 18490
4465 1 19 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.024 0.025 18490
4466 1 19 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.771 -1.630 18490
4467 1 19 . 1 1 11 11 PHE CB C 563 39.077 39.077 40.961 -1.884 18490
4468 1 19 . 1 1 11 11 PHE H H 563 8.936 8.936 9.174 -0.238 18490
4469 1 19 . 1 1 12 12 ALA N N 564 122.486 122.486 128.160 -5.674 18490
4470 1 19 . 1 1 12 12 ALA HA H 564 5.404 5.404 4.956 0.448 18490
4471 1 19 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.224 -2.837 18490
4472 1 19 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.509 -0.420 18490
4473 1 19 . 1 1 12 12 ALA H H 564 9.195 9.195 9.489 -0.294 18490
4474 1 19 . 1 1 13 13 LEU N N 565 123.611 123.611 127.953 -4.342 18490
4475 1 19 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.535 -1.171 18490
4476 1 19 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.878 -2.409 18490
4477 1 19 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.286 -0.097 18490
4478 1 19 . 1 1 13 13 LEU H H 565 7.362 7.362 8.268 -0.906 18490
4479 1 19 . 1 1 14 14 TYR N N 566 131.717 131.717 127.558 4.159 18490
4480 1 19 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.571 0.238 18490
4481 1 19 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.655 -6.159 18490
4482 1 19 . 1 1 14 14 TYR CB C 566 34.849 34.849 40.793 -5.944 18490
4483 1 19 . 1 1 14 14 TYR H H 566 9.326 9.326 9.117 0.209 18490
4484 1 19 . 1 1 15 15 TRP N N 567 128.045 128.045 120.168 7.877 18490
4485 1 19 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.696 -0.761 18490
4486 1 19 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.276 -2.499 18490
4487 1 19 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.227 -3.806 18490
4488 1 19 . 1 1 15 15 TRP H H 567 8.312 8.312 7.115 1.197 18490
4489 1 19 . 1 1 16 16 GLU N N 568 116.959 116.959 121.135 -4.176 18490
4490 1 19 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.551 -0.812 18490
4491 1 19 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.568 -1.505 18490
4492 1 19 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.684 -1.737 18490
4493 1 19 . 1 1 16 16 GLU H H 568 3.785 3.785 6.100 -2.315 18490
4494 1 19 . 1 1 17 17 ASP N N 569 111.935 111.935 115.234 -3.299 18490
4495 1 19 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.548 -0.156 18490
4496 1 19 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.519 -4.369 18490
4497 1 19 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.791 -2.052 18490
4498 1 19 . 1 1 17 17 ASP H H 569 6.511 6.511 7.515 -1.004 18490
4499 1 19 . 1 1 18 18 ASN N N 570 116.485 116.485 117.770 -1.285 18490
4500 1 19 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.457 -0.555 18490
4501 1 19 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.302 -2.081 18490
4502 1 19 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.696 -2.400 18490
4503 1 19 . 1 1 18 18 ASN H H 570 8.091 8.091 8.367 -0.276 18490
4504 1 19 . 1 1 19 19 LYS N N 571 116.593 116.593 118.505 -1.912 18490
4505 1 19 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.389 -0.027 18490
4506 1 19 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.219 -2.394 18490
4507 1 19 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.989 -2.753 18490
4508 1 19 . 1 1 19 19 LYS H H 571 7.514 7.514 8.169 -0.655 18490
4509 1 19 . 1 1 20 20 PHE N N 572 118.347 118.347 119.856 -1.509 18490
4510 1 19 . 1 1 20 20 PHE HA H 572 4.865 4.865 5.236 -0.371 18490
4511 1 19 . 1 1 20 20 PHE CA C 572 55.573 55.573 57.256 -1.683 18490
4512 1 19 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.522 -0.998 18490
4513 1 19 . 1 1 20 20 PHE H H 572 8.267 8.267 8.361 -0.094 18490
4514 1 19 . 1 1 21 21 TYR N N 573 117.867 117.867 122.705 -4.838 18490
4515 1 19 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.141 -0.192 18490
4516 1 19 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.766 -2.682 18490
4517 1 19 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.467 -1.268 18490
4518 1 19 . 1 1 21 21 TYR H H 573 8.726 8.726 9.387 -0.661 18490
4519 1 19 . 1 1 22 22 ARG N N 574 122.076 122.076 122.387 -0.311 18490
4520 1 19 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.405 -0.230 18490
4521 1 19 . 1 1 22 22 ARG CA C 574 54.620 54.620 57.098 -2.478 18490
4522 1 19 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.223 -2.451 18490
4523 1 19 . 1 1 22 22 ARG H H 574 9.110 9.110 9.113 -0.003 18490
4524 1 19 . 1 1 23 23 ALA N N 575 127.941 127.941 126.658 1.283 18490
4525 1 19 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.829 0.185 18490
4526 1 19 . 1 1 23 23 ALA CA C 575 48.488 48.488 51.128 -2.640 18490
4527 1 19 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.870 -2.177 18490
4528 1 19 . 1 1 23 23 ALA H H 575 9.307 9.307 9.084 0.223 18490
4529 1 19 . 1 1 24 24 GLU N N 576 118.347 118.347 124.688 -6.341 18490
4530 1 19 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.385 0.588 18490
4531 1 19 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.993 -3.800 18490
4532 1 19 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.447 0.533 18490
4533 1 19 . 1 1 24 24 GLU H H 576 8.267 8.267 8.486 -0.219 18490
4534 1 19 . 1 1 25 25 VAL N N 577 124.034 124.034 126.984 -2.950 18490
4535 1 19 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.543 -0.141 18490
4536 1 19 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.464 -2.280 18490
4537 1 19 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.005 -2.208 18490
4538 1 19 . 1 1 25 25 VAL H H 577 8.840 8.840 8.425 0.415 18490
4539 1 19 . 1 1 26 26 GLU N N 578 131.333 131.333 129.884 1.449 18490
4540 1 19 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.376 0.100 18490
4541 1 19 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.018 -1.817 18490
4542 1 19 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.932 -3.963 18490
4543 1 19 . 1 1 26 26 GLU H H 578 9.368 9.368 8.863 0.505 18490
4544 1 19 . 1 1 27 27 ALA N N 579 117.488 117.488 122.762 -5.274 18490
4545 1 19 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.672 -0.358 18490
4546 1 19 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.455 -3.313 18490
4547 1 19 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.783 -1.220 18490
4548 1 19 . 1 1 27 27 ALA H H 579 7.681 7.681 8.146 -0.465 18490
4549 1 19 . 1 1 28 28 LEU N N 580 122.399 122.399 126.064 -3.665 18490
4550 1 19 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.760 -0.220 18490
4551 1 19 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.140 -3.406 18490
4552 1 19 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.796 -1.189 18490
4553 1 19 . 1 1 28 28 LEU H H 580 8.860 8.860 8.699 0.161 18490
4554 1 19 . 1 1 29 29 HIS N N 581 123.783 123.783 114.711 9.072 18490
4555 1 19 . 1 1 29 29 HIS H H 581 7.867 7.867 8.202 -0.335 18490
4556 1 19 . 1 1 30 30 SER N N 582 109.799 109.799 118.258 -8.459 18490
4557 1 19 . 1 1 30 30 SER H H 582 7.731 7.731 7.826 -0.095 18490
4558 1 19 . 1 1 31 31 SER HA H 583 4.191 4.191 4.271 -0.080 18490
4559 1 19 . 1 1 31 31 SER CA C 583 57.135 57.135 59.833 -2.697 18490
4560 1 19 . 1 1 31 31 SER CB C 583 61.202 61.202 63.250 -2.048 18490
4561 1 19 . 1 1 32 32 GLY N N 584 108.532 108.532 108.513 0.019 18490
4562 1 19 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.689 -2.405 18490
4563 1 19 . 1 1 32 32 GLY H H 584 8.017 8.017 8.576 -0.559 18490
4564 1 19 . 1 1 33 33 MET N N 585 113.817 113.817 117.220 -3.403 18490
4565 1 19 . 1 1 33 33 MET HA H 585 4.637 4.637 4.800 -0.163 18490
4566 1 19 . 1 1 33 33 MET CA C 585 53.230 53.230 55.611 -2.381 18490
4567 1 19 . 1 1 33 33 MET CB C 585 31.595 31.595 32.647 -1.052 18490
4568 1 19 . 1 1 33 33 MET H H 585 8.057 8.057 7.944 0.113 18490
4569 1 19 . 1 1 34 34 THR N N 586 107.993 107.993 110.815 -2.822 18490
4570 1 19 . 1 1 34 34 THR HA H 586 3.936 3.936 5.228 -1.292 18490
4571 1 19 . 1 1 34 34 THR CA C 586 55.762 55.762 59.729 -3.967 18490
4572 1 19 . 1 1 34 34 THR CB C 586 70.532 70.532 72.461 -1.929 18490
4573 1 19 . 1 1 34 34 THR H H 586 7.014 7.014 7.403 -0.389 18490
4574 1 19 . 1 1 35 35 ALA N N 587 122.076 122.076 122.354 -0.278 18490
4575 1 19 . 1 1 35 35 ALA HA H 587 4.796 4.796 5.007 -0.211 18490
4576 1 19 . 1 1 35 35 ALA CA C 587 47.732 47.732 51.176 -3.445 18490
4577 1 19 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.619 -2.706 18490
4578 1 19 . 1 1 35 35 ALA H H 587 9.110 9.110 8.988 0.122 18490
4579 1 19 . 1 1 36 36 VAL N N 588 120.263 120.263 123.734 -3.471 18490
4580 1 19 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.477 0.197 18490
4581 1 19 . 1 1 36 36 VAL CA C 588 59.314 59.314 62.127 -2.813 18490
4582 1 19 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.706 -2.760 18490
4583 1 19 . 1 1 36 36 VAL H H 588 8.656 8.656 8.716 -0.060 18490
4584 1 19 . 1 1 37 37 VAL N N 589 120.768 120.768 122.613 -1.845 18490
4585 1 19 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.665 0.208 18490
4586 1 19 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.169 -4.198 18490
4587 1 19 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.364 -2.780 18490
4588 1 19 . 1 1 37 37 VAL H H 589 9.082 9.082 8.283 0.799 18490
4589 1 19 . 1 1 38 38 LYS N N 590 121.105 121.105 126.458 -5.353 18490
4590 1 19 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.888 -0.463 18490
4591 1 19 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.178 -3.328 18490
4592 1 19 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.762 -1.210 18490
4593 1 19 . 1 1 38 38 LYS H H 590 8.534 8.534 8.673 -0.139 18490
4594 1 19 . 1 1 39 39 PHE N N 591 126.314 126.314 127.191 -0.877 18490
4595 1 19 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.611 -0.286 18490
4596 1 19 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.399 -2.210 18490
4597 1 19 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.392 -2.692 18490
4598 1 19 . 1 1 39 39 PHE H H 591 8.511 8.511 8.451 0.060 18490
4599 1 19 . 1 1 40 40 ILE N N 592 124.308 124.308 125.220 -0.912 18490
4600 1 19 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.918 -0.443 18490
4601 1 19 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.664 -2.154 18490
4602 1 19 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.645 -2.467 18490
4603 1 19 . 1 1 40 40 ILE H H 592 7.677 7.677 8.293 -0.616 18490
4604 1 19 . 1 1 41 41 ASP N N 593 119.217 119.217 118.925 0.292 18490
4605 1 19 . 1 1 41 41 ASP H H 593 9.043 9.043 8.332 0.711 18490
4606 1 19 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.717 -0.034 18490
4607 1 19 . 1 1 43 43 GLY N N 595 106.446 106.446 107.301 -0.855 18490
4608 1 19 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.212 -2.076 18490
4609 1 19 . 1 1 43 43 GLY H H 595 8.036 8.036 8.620 -0.584 18490
4610 1 19 . 1 1 44 44 ASN N N 596 114.398 114.398 116.781 -2.383 18490
4611 1 19 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.223 -0.551 18490
4612 1 19 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.426 -1.163 18490
4613 1 19 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.471 -5.042 18490
4614 1 19 . 1 1 44 44 ASN H H 596 8.520 8.520 8.267 0.253 18490
4615 1 19 . 1 1 45 45 TYR N N 597 120.716 120.716 114.969 5.747 18490
4616 1 19 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.775 -0.191 18490
4617 1 19 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.375 -1.474 18490
4618 1 19 . 1 1 45 45 TYR CB C 597 37.432 37.432 40.655 -3.223 18490
4619 1 19 . 1 1 45 45 TYR H H 597 8.650 8.650 8.367 0.283 18490
4620 1 19 . 1 1 46 46 GLU N N 598 118.075 118.075 120.383 -2.308 18490
4621 1 19 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.703 0.165 18490
4622 1 19 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.708 -3.498 18490
4623 1 19 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.905 -0.664 18490
4624 1 19 . 1 1 46 46 GLU H H 598 8.822 8.822 8.805 0.017 18490
4625 1 19 . 1 1 47 47 GLU N N 599 122.692 122.692 122.448 0.244 18490
4626 1 19 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.568 0.447 18490
4627 1 19 . 1 1 47 47 GLU CA C 599 52.847 52.847 57.325 -4.478 18490
4628 1 19 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.260 -2.408 18490
4629 1 19 . 1 1 47 47 GLU H H 599 8.892 8.892 8.701 0.191 18490
4630 1 19 . 1 1 48 48 VAL N N 600 125.296 125.296 124.244 1.052 18490
4631 1 19 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.390 0.195 18490
4632 1 19 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.629 -3.697 18490
4633 1 19 . 1 1 48 48 VAL CB C 600 33.645 33.645 36.086 -2.441 18490
4634 1 19 . 1 1 48 48 VAL H H 600 9.280 9.280 8.757 0.523 18490
4635 1 19 . 1 1 49 49 LEU N N 601 123.816 123.816 125.402 -1.586 18490
4636 1 19 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.663 -0.314 18490
4637 1 19 . 1 1 49 49 LEU CA C 601 52.625 52.625 55.937 -3.312 18490
4638 1 19 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.880 -3.046 18490
4639 1 19 . 1 1 49 49 LEU H H 601 8.628 8.628 8.493 0.135 18490
4640 1 19 . 1 1 50 50 LEU N N 602 123.131 123.131 127.642 -4.511 18490
4641 1 19 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.144 -0.415 18490
4642 1 19 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.831 -3.625 18490
4643 1 19 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.783 -3.201 18490
4644 1 19 . 1 1 50 50 LEU H H 602 8.183 8.183 8.349 -0.166 18490
4645 1 19 . 1 1 51 51 SER N N 603 109.799 109.799 111.935 -2.136 18490
4646 1 19 . 1 1 51 51 SER HA H 603 4.228 4.228 4.286 -0.058 18490
4647 1 19 . 1 1 51 51 SER CA C 603 57.025 57.025 61.005 -3.980 18490
4648 1 19 . 1 1 51 51 SER CB C 603 59.696 59.696 62.740 -3.044 18490
4649 1 19 . 1 1 51 51 SER H H 603 7.731 7.731 8.653 -0.922 18490
4650 1 19 . 1 1 52 52 ASN N N 604 120.726 120.726 119.107 1.619 18490
4651 1 19 . 1 1 52 52 ASN HA H 604 5.134 5.134 4.976 0.158 18490
4652 1 19 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.877 -3.976 18490
4653 1 19 . 1 1 52 52 ASN CB C 604 36.854 36.854 39.432 -2.578 18490
4654 1 19 . 1 1 52 52 ASN H H 604 7.952 7.952 8.065 -0.113 18490
4655 1 19 . 1 1 53 53 ILE N N 605 115.439 115.439 121.659 -6.220 18490
4656 1 19 . 1 1 53 53 ILE HA H 605 5.011 5.011 4.565 0.446 18490
4657 1 19 . 1 1 53 53 ILE CA C 605 57.761 57.761 61.861 -4.100 18490
4658 1 19 . 1 1 53 53 ILE CB C 605 37.464 37.464 37.732 -0.268 18490
4659 1 19 . 1 1 53 53 ILE H H 605 7.162 7.162 7.585 -0.423 18490
4660 1 19 . 1 1 54 54 LYS N N 606 122.864 122.864 127.611 -4.747 18490
4661 1 19 . 1 1 54 54 LYS H H 606 9.245 9.245 9.318 -0.073 18490
4662 1 19 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.775 0.095 18490
4663 1 19 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.019 -3.077 18490
4664 1 19 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.391 -2.410 18490
4665 1 19 . 1 1 56 56 ILE N N 608 118.715 118.715 119.590 -0.875 18490
4666 1 19 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.099 -0.189 18490
4667 1 19 . 1 1 56 56 ILE CA C 608 58.905 58.905 63.035 -4.130 18490
4668 1 19 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.359 -3.395 18490
4669 1 19 . 1 1 56 56 ILE H H 608 8.363 8.363 8.746 -0.383 18490
4670 1 19 . 1 1 57 57 LEU N N 609 124.451 124.451 115.001 9.450 18490
4671 1 19 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.977 -0.726 18490
4672 1 19 . 1 1 57 57 LEU CA C 609 52.007 52.007 53.277 -1.270 18490
4673 1 19 . 1 1 57 57 LEU CB C 609 39.827 39.827 44.313 -4.486 18490
4674 1 19 . 1 1 57 57 LEU H H 609 8.034 8.034 7.577 0.457 18490
4675 1 20 . 1 1 2 2 LYS N N 554 126.040 126.040 123.594 2.446 18490
4676 1 20 . 1 1 2 2 LYS H H 554 7.684 7.684 8.157 -0.473 18490
4677 1 20 . 1 1 3 3 MET HA H 555 4.538 4.538 4.616 -0.078 18490
4678 1 20 . 1 1 3 3 MET CA C 555 51.252 51.252 54.161 -2.909 18490
4679 1 20 . 1 1 3 3 MET CB C 555 28.816 28.816 34.139 -5.322 18490
4680 1 20 . 1 1 4 4 TRP N N 556 124.579 124.579 122.766 1.813 18490
4681 1 20 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.837 -0.285 18490
4682 1 20 . 1 1 4 4 TRP CA C 556 54.260 54.260 56.571 -2.311 18490
4683 1 20 . 1 1 4 4 TRP CB C 556 29.299 29.299 31.666 -2.367 18490
4684 1 20 . 1 1 4 4 TRP H H 556 7.686 7.686 8.176 -0.490 18490
4685 1 20 . 1 1 5 5 LYS N N 557 120.748 120.748 119.427 1.321 18490
4686 1 20 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.614 0.103 18490
4687 1 20 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.234 -3.740 18490
4688 1 20 . 1 1 5 5 LYS H H 557 8.983 8.983 8.418 0.565 18490
4689 1 20 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.319 -0.562 18490
4690 1 20 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.276 -2.304 18490
4691 1 20 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.199 -3.618 18490
4692 1 20 . 1 1 7 7 GLY N N 559 114.722 114.722 110.217 4.505 18490
4693 1 20 . 1 1 7 7 GLY CA C 559 41.873 41.873 44.953 -3.080 18490
4694 1 20 . 1 1 7 7 GLY H H 559 9.372 9.372 8.321 1.051 18490
4695 1 20 . 1 1 8 8 ASP N N 560 121.253 121.253 121.108 0.145 18490
4696 1 20 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.843 -0.321 18490
4697 1 20 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.336 -0.145 18490
4698 1 20 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.083 -3.854 18490
4699 1 20 . 1 1 8 8 ASP H H 560 7.875 7.875 7.615 0.260 18490
4700 1 20 . 1 1 9 9 GLU N N 561 121.105 121.105 123.858 -2.753 18490
4701 1 20 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.209 0.613 18490
4702 1 20 . 1 1 9 9 GLU CA C 561 53.057 53.057 57.107 -4.050 18490
4703 1 20 . 1 1 9 9 GLU CB C 561 28.765 28.765 27.988 0.777 18490
4704 1 20 . 1 1 9 9 GLU H H 561 8.543 8.543 8.529 0.014 18490
4705 1 20 . 1 1 10 10 CYS N N 562 115.944 115.944 121.898 -5.954 18490
4706 1 20 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.497 0.357 18490
4707 1 20 . 1 1 10 10 CYS CA C 562 53.649 53.649 58.526 -4.878 18490
4708 1 20 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.423 -2.640 18490
4709 1 20 . 1 1 10 10 CYS H H 562 8.627 8.627 8.702 -0.075 18490
4710 1 20 . 1 1 11 11 PHE N N 563 116.503 116.503 120.926 -4.423 18490
4711 1 20 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.106 -0.057 18490
4712 1 20 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.871 -1.730 18490
4713 1 20 . 1 1 11 11 PHE CB C 563 39.077 39.077 40.425 -1.348 18490
4714 1 20 . 1 1 11 11 PHE H H 563 8.936 8.936 9.002 -0.066 18490
4715 1 20 . 1 1 12 12 ALA N N 564 122.486 122.486 128.690 -6.204 18490
4716 1 20 . 1 1 12 12 ALA HA H 564 5.404 5.404 4.867 0.537 18490
4717 1 20 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.499 -3.112 18490
4718 1 20 . 1 1 12 12 ALA CB C 564 21.089 21.089 20.816 0.273 18490
4719 1 20 . 1 1 12 12 ALA H H 564 9.195 9.195 9.559 -0.364 18490
4720 1 20 . 1 1 13 13 LEU N N 565 123.611 123.611 128.764 -5.153 18490
4721 1 20 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.536 -1.172 18490
4722 1 20 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.902 -2.433 18490
4723 1 20 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.598 -0.409 18490
4724 1 20 . 1 1 13 13 LEU H H 565 7.362 7.362 8.292 -0.930 18490
4725 1 20 . 1 1 14 14 TYR N N 566 131.717 131.717 126.592 5.125 18490
4726 1 20 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.480 0.329 18490
4727 1 20 . 1 1 14 14 TYR CA C 566 52.496 52.496 58.645 -6.149 18490
4728 1 20 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.206 -6.357 18490
4729 1 20 . 1 1 14 14 TYR H H 566 9.326 9.326 8.920 0.406 18490
4730 1 20 . 1 1 15 15 TRP N N 567 128.045 128.045 118.329 9.716 18490
4731 1 20 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.714 -0.779 18490
4732 1 20 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.440 -2.663 18490
4733 1 20 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.300 -3.879 18490
4734 1 20 . 1 1 15 15 TRP H H 567 8.312 8.312 7.228 1.084 18490
4735 1 20 . 1 1 16 16 GLU N N 568 116.959 116.959 122.982 -6.023 18490
4736 1 20 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.683 -0.944 18490
4737 1 20 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.529 -1.466 18490
4738 1 20 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.694 -1.747 18490
4739 1 20 . 1 1 16 16 GLU H H 568 3.785 3.785 6.747 -2.962 18490
4740 1 20 . 1 1 17 17 ASP N N 569 111.935 111.935 115.770 -3.835 18490
4741 1 20 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.481 -0.089 18490
4742 1 20 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.297 -4.146 18490
4743 1 20 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.078 -1.339 18490
4744 1 20 . 1 1 17 17 ASP H H 569 6.511 6.511 7.787 -1.276 18490
4745 1 20 . 1 1 18 18 ASN N N 570 116.485 116.485 118.172 -1.687 18490
4746 1 20 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.448 -0.546 18490
4747 1 20 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.406 -2.185 18490
4748 1 20 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.809 -2.513 18490
4749 1 20 . 1 1 18 18 ASN H H 570 8.091 8.091 8.114 -0.023 18490
4750 1 20 . 1 1 19 19 LYS N N 571 116.593 116.593 119.031 -2.438 18490
4751 1 20 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.307 0.055 18490
4752 1 20 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.461 -2.636 18490
4753 1 20 . 1 1 19 19 LYS CB C 571 32.236 32.236 33.931 -1.695 18490
4754 1 20 . 1 1 19 19 LYS H H 571 7.514 7.514 7.506 0.008 18490
4755 1 20 . 1 1 20 20 PHE N N 572 118.347 118.347 120.182 -1.835 18490
4756 1 20 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.815 0.050 18490
4757 1 20 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.080 -2.507 18490
4758 1 20 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.729 -1.205 18490
4759 1 20 . 1 1 20 20 PHE H H 572 8.267 8.267 8.407 -0.140 18490
4760 1 20 . 1 1 21 21 TYR N N 573 117.867 117.867 120.492 -2.625 18490
4761 1 20 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.046 -0.097 18490
4762 1 20 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.919 -2.835 18490
4763 1 20 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.857 -1.658 18490
4764 1 20 . 1 1 21 21 TYR H H 573 8.726 8.726 9.021 -0.295 18490
4765 1 20 . 1 1 22 22 ARG N N 574 122.076 122.076 121.700 0.376 18490
4766 1 20 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.307 -0.132 18490
4767 1 20 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.908 -2.288 18490
4768 1 20 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.095 -2.323 18490
4769 1 20 . 1 1 22 22 ARG H H 574 9.110 9.110 9.047 0.063 18490
4770 1 20 . 1 1 23 23 ALA N N 575 127.941 127.941 126.406 1.535 18490
4771 1 20 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.900 0.114 18490
4772 1 20 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.926 -2.438 18490
4773 1 20 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.585 -1.892 18490
4774 1 20 . 1 1 23 23 ALA H H 575 9.307 9.307 8.992 0.315 18490
4775 1 20 . 1 1 24 24 GLU N N 576 118.347 118.347 124.653 -6.306 18490
4776 1 20 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.246 0.727 18490
4777 1 20 . 1 1 24 24 GLU CA C 576 51.193 51.193 54.868 -3.675 18490
4778 1 20 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.365 0.615 18490
4779 1 20 . 1 1 24 24 GLU H H 576 8.267 8.267 8.626 -0.359 18490
4780 1 20 . 1 1 25 25 VAL N N 577 124.034 124.034 126.882 -2.848 18490
4781 1 20 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.546 -0.144 18490
4782 1 20 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.625 -2.441 18490
4783 1 20 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.025 -2.229 18490
4784 1 20 . 1 1 25 25 VAL H H 577 8.840 8.840 8.179 0.661 18490
4785 1 20 . 1 1 26 26 GLU N N 578 131.333 131.333 130.949 0.384 18490
4786 1 20 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.328 0.148 18490
4787 1 20 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.369 -2.168 18490
4788 1 20 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.214 -3.245 18490
4789 1 20 . 1 1 26 26 GLU H H 578 9.368 9.368 8.532 0.836 18490
4790 1 20 . 1 1 27 27 ALA N N 579 117.488 117.488 121.806 -4.318 18490
4791 1 20 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.502 -0.188 18490
4792 1 20 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.209 -3.067 18490
4793 1 20 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.493 -0.930 18490
4794 1 20 . 1 1 27 27 ALA H H 579 7.681 7.681 7.650 0.031 18490
4795 1 20 . 1 1 28 28 LEU N N 580 122.399 122.399 125.212 -2.813 18490
4796 1 20 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.765 -0.225 18490
4797 1 20 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.796 -4.062 18490
4798 1 20 . 1 1 28 28 LEU CB C 580 39.607 39.607 40.935 -1.328 18490
4799 1 20 . 1 1 28 28 LEU H H 580 8.860 8.860 8.640 0.220 18490
4800 1 20 . 1 1 29 29 HIS N N 581 123.783 123.783 120.282 3.501 18490
4801 1 20 . 1 1 29 29 HIS H H 581 7.867 7.867 8.686 -0.819 18490
4802 1 20 . 1 1 30 30 SER N N 582 109.799 109.799 116.698 -6.899 18490
4803 1 20 . 1 1 30 30 SER H H 582 7.731 7.731 8.253 -0.522 18490
4804 1 20 . 1 1 31 31 SER HA H 583 4.191 4.191 4.417 -0.226 18490
4805 1 20 . 1 1 31 31 SER CA C 583 57.135 57.135 58.685 -1.550 18490
4806 1 20 . 1 1 31 31 SER CB C 583 61.202 61.202 63.201 -1.999 18490
4807 1 20 . 1 1 32 32 GLY N N 584 108.532 108.532 111.364 -2.832 18490
4808 1 20 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.793 -2.509 18490
4809 1 20 . 1 1 32 32 GLY H H 584 8.017 8.017 8.211 -0.194 18490
4810 1 20 . 1 1 33 33 MET N N 585 113.817 113.817 116.559 -2.742 18490
4811 1 20 . 1 1 33 33 MET HA H 585 4.637 4.637 4.726 -0.089 18490
4812 1 20 . 1 1 33 33 MET CA C 585 53.230 53.230 54.734 -1.504 18490
4813 1 20 . 1 1 33 33 MET CB C 585 31.595 31.595 32.666 -1.071 18490
4814 1 20 . 1 1 33 33 MET H H 585 8.057 8.057 8.052 0.005 18490
4815 1 20 . 1 1 34 34 THR N N 586 107.993 107.993 113.739 -5.746 18490
4816 1 20 . 1 1 34 34 THR HA H 586 3.936 3.936 5.228 -1.292 18490
4817 1 20 . 1 1 34 34 THR CA C 586 55.762 55.762 59.962 -4.199 18490
4818 1 20 . 1 1 34 34 THR CB C 586 70.532 70.532 71.347 -0.815 18490
4819 1 20 . 1 1 34 34 THR H H 586 7.014 7.014 7.661 -0.647 18490
4820 1 20 . 1 1 35 35 ALA N N 587 122.076 122.076 121.492 0.584 18490
4821 1 20 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.729 0.067 18490
4822 1 20 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.939 -3.207 18490
4823 1 20 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.434 -2.521 18490
4824 1 20 . 1 1 35 35 ALA H H 587 9.110 9.110 8.698 0.412 18490
4825 1 20 . 1 1 36 36 VAL N N 588 120.263 120.263 121.751 -1.488 18490
4826 1 20 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.682 -0.008 18490
4827 1 20 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.833 -2.519 18490
4828 1 20 . 1 1 36 36 VAL CB C 588 29.945 29.945 33.023 -3.078 18490
4829 1 20 . 1 1 36 36 VAL H H 588 8.656 8.656 8.182 0.474 18490
4830 1 20 . 1 1 37 37 VAL N N 589 120.768 120.768 122.180 -1.412 18490
4831 1 20 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.460 0.413 18490
4832 1 20 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.198 -4.227 18490
4833 1 20 . 1 1 37 37 VAL CB C 589 31.584 31.584 33.989 -2.405 18490
4834 1 20 . 1 1 37 37 VAL H H 589 9.082 9.082 8.492 0.590 18490
4835 1 20 . 1 1 38 38 LYS N N 590 121.105 121.105 126.907 -5.802 18490
4836 1 20 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.804 -0.379 18490
4837 1 20 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.656 -3.806 18490
4838 1 20 . 1 1 38 38 LYS CB C 590 32.552 32.552 32.756 -0.204 18490
4839 1 20 . 1 1 38 38 LYS H H 590 8.534 8.534 8.391 0.143 18490
4840 1 20 . 1 1 39 39 PHE N N 591 126.314 126.314 127.714 -1.400 18490
4841 1 20 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.661 -0.336 18490
4842 1 20 . 1 1 39 39 PHE CA C 591 57.189 57.189 58.816 -1.627 18490
4843 1 20 . 1 1 39 39 PHE CB C 591 35.700 35.700 37.187 -1.487 18490
4844 1 20 . 1 1 39 39 PHE H H 591 8.511 8.511 8.228 0.283 18490
4845 1 20 . 1 1 40 40 ILE N N 592 124.308 124.308 123.309 0.999 18490
4846 1 20 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.639 -0.164 18490
4847 1 20 . 1 1 40 40 ILE CA C 592 61.510 61.510 64.210 -2.700 18490
4848 1 20 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.367 -2.189 18490
4849 1 20 . 1 1 40 40 ILE H H 592 7.677 7.677 8.095 -0.418 18490
4850 1 20 . 1 1 41 41 ASP N N 593 119.217 119.217 117.933 1.284 18490
4851 1 20 . 1 1 41 41 ASP H H 593 9.043 9.043 8.225 0.818 18490
4852 1 20 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.578 0.105 18490
4853 1 20 . 1 1 43 43 GLY N N 595 106.446 106.446 106.609 -0.163 18490
4854 1 20 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.276 -2.140 18490
4855 1 20 . 1 1 43 43 GLY H H 595 8.036 8.036 8.701 -0.665 18490
4856 1 20 . 1 1 44 44 ASN N N 596 114.398 114.398 116.922 -2.524 18490
4857 1 20 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.276 -0.604 18490
4858 1 20 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.874 -1.611 18490
4859 1 20 . 1 1 44 44 ASN CB C 596 35.429 35.429 41.570 -6.141 18490
4860 1 20 . 1 1 44 44 ASN H H 596 8.520 8.520 8.180 0.340 18490
4861 1 20 . 1 1 45 45 TYR N N 597 120.716 120.716 114.589 6.127 18490
4862 1 20 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.676 -0.092 18490
4863 1 20 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.710 -1.809 18490
4864 1 20 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.522 -4.090 18490
4865 1 20 . 1 1 45 45 TYR H H 597 8.650 8.650 8.167 0.483 18490
4866 1 20 . 1 1 46 46 GLU N N 598 118.075 118.075 118.008 0.067 18490
4867 1 20 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.569 0.299 18490
4868 1 20 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.900 -3.690 18490
4869 1 20 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.425 -0.183 18490
4870 1 20 . 1 1 46 46 GLU H H 598 8.822 8.822 8.676 0.146 18490
4871 1 20 . 1 1 47 47 GLU N N 599 122.692 122.692 121.212 1.480 18490
4872 1 20 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.845 0.170 18490
4873 1 20 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.603 -3.756 18490
4874 1 20 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.010 -2.158 18490
4875 1 20 . 1 1 47 47 GLU H H 599 8.892 8.892 8.632 0.260 18490
4876 1 20 . 1 1 48 48 VAL N N 600 125.296 125.296 122.251 3.045 18490
4877 1 20 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.434 0.151 18490
4878 1 20 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.583 -3.651 18490
4879 1 20 . 1 1 48 48 VAL CB C 600 33.645 33.645 35.792 -2.147 18490
4880 1 20 . 1 1 48 48 VAL H H 600 9.280 9.280 8.764 0.516 18490
4881 1 20 . 1 1 49 49 LEU N N 601 123.816 123.816 125.956 -2.140 18490
4882 1 20 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.608 -0.259 18490
4883 1 20 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.366 -3.741 18490
4884 1 20 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.532 -2.698 18490
4885 1 20 . 1 1 49 49 LEU H H 601 8.628 8.628 8.650 -0.022 18490
4886 1 20 . 1 1 50 50 LEU N N 602 123.131 123.131 127.794 -4.663 18490
4887 1 20 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.145 -0.416 18490
4888 1 20 . 1 1 50 50 LEU CA C 602 55.206 55.206 59.269 -4.063 18490
4889 1 20 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.811 -3.229 18490
4890 1 20 . 1 1 50 50 LEU H H 602 8.183 8.183 8.635 -0.452 18490
4891 1 20 . 1 1 51 51 SER N N 603 109.799 109.799 109.685 0.114 18490
4892 1 20 . 1 1 51 51 SER HA H 603 4.228 4.228 4.391 -0.163 18490
4893 1 20 . 1 1 51 51 SER CA C 603 57.025 57.025 59.914 -2.889 18490
4894 1 20 . 1 1 51 51 SER CB C 603 59.696 59.696 62.166 -2.470 18490
4895 1 20 . 1 1 51 51 SER H H 603 7.731 7.731 8.654 -0.923 18490
4896 1 20 . 1 1 52 52 ASN N N 604 120.726 120.726 118.032 2.694 18490
4897 1 20 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.115 0.019 18490
4898 1 20 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.405 -3.504 18490
4899 1 20 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.338 -3.484 18490
4900 1 20 . 1 1 52 52 ASN H H 604 7.952 7.952 8.031 -0.079 18490
4901 1 20 . 1 1 53 53 ILE N N 605 115.439 115.439 122.118 -6.679 18490
4902 1 20 . 1 1 53 53 ILE HA H 605 5.011 5.011 4.560 0.451 18490
4903 1 20 . 1 1 53 53 ILE CA C 605 57.761 57.761 62.559 -4.798 18490
4904 1 20 . 1 1 53 53 ILE CB C 605 37.464 37.464 37.911 -0.447 18490
4905 1 20 . 1 1 53 53 ILE H H 605 7.162 7.162 8.225 -1.063 18490
4906 1 20 . 1 1 54 54 LYS N N 606 122.864 122.864 127.437 -4.573 18490
4907 1 20 . 1 1 54 54 LYS H H 606 9.245 9.245 9.279 -0.034 18490
4908 1 20 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.789 0.081 18490
4909 1 20 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.134 -3.192 18490
4910 1 20 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.375 -2.395 18490
4911 1 20 . 1 1 56 56 ILE N N 608 118.715 118.715 120.020 -1.305 18490
4912 1 20 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.379 -0.469 18490
4913 1 20 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.395 -3.490 18490
4914 1 20 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.803 -3.839 18490
4915 1 20 . 1 1 56 56 ILE H H 608 8.363 8.363 8.647 -0.284 18490
4916 1 20 . 1 1 57 57 LEU N N 609 124.451 124.451 120.363 4.088 18490
4917 1 20 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.562 -0.311 18490
4918 1 20 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.395 -2.388 18490
4919 1 20 . 1 1 57 57 LEU CB C 609 39.827 39.827 41.574 -1.747 18490
4920 1 20 . 1 1 57 57 LEU H H 609 8.034 8.034 7.887 0.147 18490
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 51 4.134 1.065 4.034 18490
2 1 1 "Average Difference" HA 54 0.412 0.109 0.401 18490
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18490
4 1 1 "Average Difference" CA 50 3.087 2.903 1.060 18490
5 1 1 "Average Difference" CB 46 2.693 2.339 1.350 18490
6 1 1 "Average Difference" HN 51 0.705 0.111 0.703 18490
7 1 2 "Average Difference" N 51 4.001 0.683 3.982 18490
8 1 2 "Average Difference" HA 54 0.395 0.138 0.374 18490
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18490
10 1 2 "Average Difference" CA 50 3.005 2.840 0.992 18490
11 1 2 "Average Difference" CB 46 2.932 2.543 1.477 18490
12 1 2 "Average Difference" HN 51 0.638 0.104 0.636 18490
13 1 3 "Average Difference" N 51 3.564 1.012 3.451 18490
14 1 3 "Average Difference" HA 54 0.390 0.120 0.374 18490
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18490
16 1 3 "Average Difference" CA 50 3.065 2.883 1.049 18490
17 1 3 "Average Difference" CB 46 2.785 2.398 1.432 18490
18 1 3 "Average Difference" HN 51 0.688 0.137 0.681 18490
19 1 4 "Average Difference" N 51 3.714 0.863 3.649 18490
20 1 4 "Average Difference" HA 54 0.405 0.093 0.397 18490
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18490
22 1 4 "Average Difference" CA 50 3.191 3.008 1.077 18490
23 1 4 "Average Difference" CB 46 2.830 2.452 1.428 18490
24 1 4 "Average Difference" HN 51 0.682 0.097 0.682 18490
25 1 5 "Average Difference" N 51 3.705 1.318 3.496 18490
26 1 5 "Average Difference" HA 54 0.375 0.086 0.369 18490
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18490
28 1 5 "Average Difference" CA 50 3.117 2.938 1.050 18490
29 1 5 "Average Difference" CB 46 2.677 2.255 1.459 18490
30 1 5 "Average Difference" HN 51 0.638 0.078 0.640 18490
31 1 6 "Average Difference" N 51 4.182 1.118 4.070 18490
32 1 6 "Average Difference" HA 54 0.389 0.095 0.380 18490
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18490
34 1 6 "Average Difference" CA 50 3.152 2.977 1.045 18490
35 1 6 "Average Difference" CB 46 2.796 2.465 1.334 18490
36 1 6 "Average Difference" HN 51 0.632 0.088 0.632 18490
37 1 7 "Average Difference" N 51 3.649 0.969 3.553 18490
38 1 7 "Average Difference" HA 54 0.385 0.136 0.364 18490
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18490
40 1 7 "Average Difference" CA 50 3.025 2.839 1.055 18490
41 1 7 "Average Difference" CB 46 2.724 2.358 1.380 18490
42 1 7 "Average Difference" HN 51 0.683 0.126 0.678 18490
43 1 8 "Average Difference" N 51 3.827 0.841 3.770 18490
44 1 8 "Average Difference" HA 54 0.370 0.104 0.358 18490
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18490
46 1 8 "Average Difference" CA 50 3.122 2.908 1.145 18490
47 1 8 "Average Difference" CB 46 2.850 2.478 1.423 18490
48 1 8 "Average Difference" HN 51 0.642 0.106 0.640 18490
49 1 9 "Average Difference" N 51 3.863 0.786 3.820 18490
50 1 9 "Average Difference" HA 54 0.372 0.138 0.349 18490
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18490
52 1 9 "Average Difference" CA 50 2.915 2.745 0.991 18490
53 1 9 "Average Difference" CB 46 2.816 2.421 1.455 18490
54 1 9 "Average Difference" HN 51 0.667 0.066 0.670 18490
55 1 10 "Average Difference" N 51 3.467 0.795 3.408 18490
56 1 10 "Average Difference" HA 54 0.375 0.124 0.357 18490
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18490
58 1 10 "Average Difference" CA 50 3.027 2.891 0.905 18490
59 1 10 "Average Difference" CB 46 2.898 2.542 1.407 18490
60 1 10 "Average Difference" HN 51 0.633 0.103 0.631 18490
61 1 11 "Average Difference" N 51 3.777 0.915 3.701 18490
62 1 11 "Average Difference" HA 54 0.394 0.106 0.383 18490
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18490
64 1 11 "Average Difference" CA 50 3.161 2.935 1.186 18490
65 1 11 "Average Difference" CB 46 2.812 2.386 1.504 18490
66 1 11 "Average Difference" HN 51 0.676 0.061 0.680 18490
67 1 12 "Average Difference" N 51 3.677 1.256 3.490 18490
68 1 12 "Average Difference" HA 54 0.384 0.099 0.374 18490
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18490
70 1 12 "Average Difference" CA 50 3.103 2.931 1.029 18490
71 1 12 "Average Difference" CB 46 2.828 2.434 1.455 18490
72 1 12 "Average Difference" HN 51 0.677 0.126 0.672 18490
73 1 13 "Average Difference" N 51 3.463 1.311 3.238 18490
74 1 13 "Average Difference" HA 54 0.374 0.110 0.360 18490
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18490
76 1 13 "Average Difference" CA 50 3.008 2.868 0.917 18490
77 1 13 "Average Difference" CB 46 3.025 2.651 1.473 18490
78 1 13 "Average Difference" HN 51 0.728 0.152 0.719 18490
79 1 14 "Average Difference" N 51 3.703 0.990 3.604 18490
80 1 14 "Average Difference" HA 54 0.373 0.112 0.359 18490
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18490
82 1 14 "Average Difference" CA 50 2.978 2.857 0.848 18490
83 1 14 "Average Difference" CB 46 2.879 2.481 1.478 18490
84 1 14 "Average Difference" HN 51 0.629 0.104 0.626 18490
85 1 15 "Average Difference" N 51 3.746 1.161 3.597 18490
86 1 15 "Average Difference" HA 54 0.374 0.090 0.366 18490
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18490
88 1 15 "Average Difference" CA 50 3.170 2.964 1.134 18490
89 1 15 "Average Difference" CB 46 2.902 2.461 1.554 18490
90 1 15 "Average Difference" HN 51 0.675 0.131 0.669 18490
91 1 16 "Average Difference" N 51 3.689 0.992 3.588 18490
92 1 16 "Average Difference" HA 54 0.370 0.112 0.356 18490
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18490
94 1 16 "Average Difference" CA 50 2.983 2.810 1.009 18490
95 1 16 "Average Difference" CB 46 2.754 2.404 1.358 18490
96 1 16 "Average Difference" HN 51 0.648 0.050 0.652 18490
97 1 17 "Average Difference" N 51 3.993 0.720 3.967 18490
98 1 17 "Average Difference" HA 54 0.369 0.088 0.362 18490
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18490
100 1 17 "Average Difference" CA 50 3.107 2.917 1.082 18490
101 1 17 "Average Difference" CB 46 2.813 2.488 1.328 18490
102 1 17 "Average Difference" HN 51 0.628 0.054 0.632 18490
103 1 18 "Average Difference" N 51 3.617 1.056 3.493 18490
104 1 18 "Average Difference" HA 54 0.346 0.091 0.337 18490
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18490
106 1 18 "Average Difference" CA 50 3.106 2.919 1.073 18490
107 1 18 "Average Difference" CB 46 2.773 2.360 1.473 18490
108 1 18 "Average Difference" HN 51 0.687 0.108 0.685 18490
109 1 19 "Average Difference" N 51 4.028 1.201 3.883 18490
110 1 19 "Average Difference" HA 54 0.426 0.122 0.411 18490
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18490
112 1 19 "Average Difference" CA 50 3.162 2.977 1.076 18490
113 1 19 "Average Difference" CB 46 2.711 2.337 1.390 18490
114 1 19 "Average Difference" HN 51 0.584 0.104 0.580 18490
115 1 20 "Average Difference" N 51 3.837 1.142 3.700 18490
116 1 20 "Average Difference" HA 54 0.423 0.086 0.418 18490
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18490
118 1 20 "Average Difference" CA 50 3.144 2.960 1.071 18490
119 1 20 "Average Difference" CB 46 2.681 2.196 1.554 18490
120 1 20 "Average Difference" HN 51 0.668 0.068 0.671 18490
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 18490
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 LYS N N 554 126.040 126.040 122.893 3.147 18490
2 1 . 1 1 2 2 LYS H H 554 7.684 7.684 8.404 -0.720 18490
3 1 . 1 1 3 3 MET HA H 555 4.538 4.538 4.458 0.080 18490
4 1 . 1 1 3 3 MET CA C 555 51.252 51.252 55.374 -4.122 18490
5 1 . 1 1 3 3 MET CB C 555 28.816 28.816 32.895 -4.079 18490
6 1 . 1 1 4 4 TRP N N 556 124.579 124.579 122.061 2.518 18490
7 1 . 1 1 4 4 TRP HA H 556 4.552 4.552 4.600 -0.048 18490
8 1 . 1 1 4 4 TRP CA C 556 54.260 54.260 57.250 -2.990 18490
9 1 . 1 1 4 4 TRP CB C 556 29.299 29.299 30.713 -1.414 18490
10 1 . 1 1 4 4 TRP H H 556 7.686 7.686 8.049 -0.363 18490
11 1 . 1 1 5 5 LYS N N 557 120.748 120.748 121.021 -0.273 18490
12 1 . 1 1 5 5 LYS HA H 557 4.717 4.717 4.787 -0.070 18490
13 1 . 1 1 5 5 LYS CA C 557 50.494 50.494 54.127 -3.633 18490
14 1 . 1 1 5 5 LYS H H 557 8.983 8.983 8.498 0.485 18490
15 1 . 1 1 6 6 PRO HA H 558 3.757 3.757 4.299 -0.542 18490
16 1 . 1 1 6 6 PRO CA C 558 60.972 60.972 63.253 -2.281 18490
17 1 . 1 1 6 6 PRO CB C 558 28.581 28.581 32.058 -3.477 18490
18 1 . 1 1 7 7 GLY N N 559 114.722 114.722 110.396 4.326 18490
19 1 . 1 1 7 7 GLY CA C 559 41.873 41.873 45.008 -3.135 18490
20 1 . 1 1 7 7 GLY H H 559 9.372 9.372 8.285 1.087 18490
21 1 . 1 1 8 8 ASP N N 560 121.253 121.253 120.821 0.432 18490
22 1 . 1 1 8 8 ASP HA H 560 4.522 4.522 4.854 -0.332 18490
23 1 . 1 1 8 8 ASP CA C 560 53.191 53.191 53.366 -0.175 18490
24 1 . 1 1 8 8 ASP CB C 560 39.229 39.229 43.355 -4.126 18490
25 1 . 1 1 8 8 ASP H H 560 7.875 7.875 7.632 0.243 18490
26 1 . 1 1 9 9 GLU N N 561 121.105 121.105 123.279 -2.174 18490
27 1 . 1 1 9 9 GLU HA H 561 4.822 4.822 4.338 0.484 18490
28 1 . 1 1 9 9 GLU CA C 561 53.057 53.057 56.924 -3.867 18490
29 1 . 1 1 9 9 GLU CB C 561 28.765 28.765 28.841 -0.076 18490
30 1 . 1 1 9 9 GLU H H 561 8.543 8.543 8.632 -0.089 18490
31 1 . 1 1 10 10 CYS N N 562 115.944 115.944 121.554 -5.610 18490
32 1 . 1 1 10 10 CYS HA H 562 4.854 4.854 4.801 0.053 18490
33 1 . 1 1 10 10 CYS CA C 562 53.649 53.649 57.971 -4.322 18490
34 1 . 1 1 10 10 CYS CB C 562 29.783 29.783 32.397 -2.614 18490
35 1 . 1 1 10 10 CYS H H 562 8.627 8.627 8.765 -0.138 18490
36 1 . 1 1 11 11 PHE N N 563 116.503 116.503 120.201 -3.698 18490
37 1 . 1 1 11 11 PHE HA H 563 5.049 5.049 5.132 -0.083 18490
38 1 . 1 1 11 11 PHE CA C 563 55.141 55.141 56.959 -1.818 18490
39 1 . 1 1 11 11 PHE CB C 563 39.077 39.077 41.656 -2.579 18490
40 1 . 1 1 11 11 PHE H H 563 8.936 8.936 9.128 -0.192 18490
41 1 . 1 1 12 12 ALA N N 564 122.486 122.486 127.819 -5.333 18490
42 1 . 1 1 12 12 ALA HA H 564 5.404 5.404 5.162 0.242 18490
43 1 . 1 1 12 12 ALA CA C 564 47.387 47.387 50.121 -2.734 18490
44 1 . 1 1 12 12 ALA CB C 564 21.089 21.089 21.657 -0.568 18490
45 1 . 1 1 12 12 ALA H H 564 9.195 9.195 9.484 -0.289 18490
46 1 . 1 1 13 13 LEU N N 565 123.611 123.611 127.454 -3.843 18490
47 1 . 1 1 13 13 LEU HA H 565 3.364 3.364 4.300 -0.936 18490
48 1 . 1 1 13 13 LEU CA C 565 52.469 52.469 54.883 -2.414 18490
49 1 . 1 1 13 13 LEU CB C 565 41.189 41.189 41.724 -0.535 18490
50 1 . 1 1 13 13 LEU H H 565 7.362 7.362 8.621 -1.259 18490
51 1 . 1 1 14 14 TYR N N 566 131.717 131.717 127.204 4.513 18490
52 1 . 1 1 14 14 TYR HA H 566 4.809 4.809 4.543 0.266 18490
53 1 . 1 1 14 14 TYR CA C 566 52.496 52.496 57.949 -5.453 18490
54 1 . 1 1 14 14 TYR CB C 566 34.849 34.849 41.308 -6.459 18490
55 1 . 1 1 14 14 TYR H H 566 9.326 9.326 8.887 0.439 18490
56 1 . 1 1 15 15 TRP N N 567 128.045 128.045 119.977 8.068 18490
57 1 . 1 1 15 15 TRP HA H 567 3.935 3.935 4.686 -0.751 18490
58 1 . 1 1 15 15 TRP CA C 567 55.777 55.777 58.073 -2.296 18490
59 1 . 1 1 15 15 TRP CB C 567 25.421 25.421 29.212 -3.791 18490
60 1 . 1 1 15 15 TRP H H 567 8.312 8.312 7.248 1.064 18490
61 1 . 1 1 16 16 GLU N N 568 116.959 116.959 121.814 -4.855 18490
62 1 . 1 1 16 16 GLU HA H 568 2.739 2.739 3.502 -0.763 18490
63 1 . 1 1 16 16 GLU CA C 568 57.063 57.063 58.458 -1.395 18490
64 1 . 1 1 16 16 GLU CB C 568 26.947 26.947 28.651 -1.704 18490
65 1 . 1 1 16 16 GLU H H 568 3.785 3.785 6.480 -2.695 18490
66 1 . 1 1 17 17 ASP N N 569 111.935 111.935 115.279 -3.344 18490
67 1 . 1 1 17 17 ASP HA H 569 4.392 4.392 4.511 -0.119 18490
68 1 . 1 1 17 17 ASP CA C 569 49.150 49.150 53.302 -4.152 18490
69 1 . 1 1 17 17 ASP CB C 569 38.739 38.739 40.255 -1.516 18490
70 1 . 1 1 17 17 ASP H H 569 6.511 6.511 7.804 -1.293 18490
71 1 . 1 1 18 18 ASN N N 570 116.485 116.485 117.457 -0.972 18490
72 1 . 1 1 18 18 ASN HA H 570 3.902 3.902 4.414 -0.512 18490
73 1 . 1 1 18 18 ASN CA C 570 52.221 52.221 54.304 -2.083 18490
74 1 . 1 1 18 18 ASN CB C 570 35.296 35.296 37.798 -2.502 18490
75 1 . 1 1 18 18 ASN H H 570 8.091 8.091 8.261 -0.170 18490
76 1 . 1 1 19 19 LYS N N 571 116.593 116.593 118.610 -2.017 18490
77 1 . 1 1 19 19 LYS HA H 571 4.362 4.362 4.474 -0.112 18490
78 1 . 1 1 19 19 LYS CA C 571 51.825 51.825 54.194 -2.369 18490
79 1 . 1 1 19 19 LYS CB C 571 32.236 32.236 34.929 -2.693 18490
80 1 . 1 1 19 19 LYS H H 571 7.514 7.514 7.845 -0.331 18490
81 1 . 1 1 20 20 PHE N N 572 118.347 118.347 120.238 -1.891 18490
82 1 . 1 1 20 20 PHE HA H 572 4.865 4.865 4.936 -0.071 18490
83 1 . 1 1 20 20 PHE CA C 572 55.573 55.573 58.062 -2.489 18490
84 1 . 1 1 20 20 PHE CB C 572 38.524 38.524 39.672 -1.148 18490
85 1 . 1 1 20 20 PHE H H 572 8.267 8.267 8.498 -0.231 18490
86 1 . 1 1 21 21 TYR N N 573 117.867 117.867 121.969 -4.102 18490
87 1 . 1 1 21 21 TYR HA H 573 4.949 4.949 5.102 -0.153 18490
88 1 . 1 1 21 21 TYR CA C 573 54.084 54.084 56.777 -2.693 18490
89 1 . 1 1 21 21 TYR CB C 573 41.199 41.199 42.559 -1.360 18490
90 1 . 1 1 21 21 TYR H H 573 8.726 8.726 9.232 -0.506 18490
91 1 . 1 1 22 22 ARG N N 574 122.076 122.076 121.836 0.240 18490
92 1 . 1 1 22 22 ARG HA H 574 4.175 4.175 4.144 0.031 18490
93 1 . 1 1 22 22 ARG CA C 574 54.620 54.620 56.964 -2.344 18490
94 1 . 1 1 22 22 ARG CB C 574 27.772 27.772 30.047 -2.275 18490
95 1 . 1 1 22 22 ARG H H 574 9.110 9.110 9.087 0.023 18490
96 1 . 1 1 23 23 ALA N N 575 127.941 127.941 126.295 1.646 18490
97 1 . 1 1 23 23 ALA HA H 575 5.014 5.014 4.903 0.111 18490
98 1 . 1 1 23 23 ALA CA C 575 48.488 48.488 50.879 -2.391 18490
99 1 . 1 1 23 23 ALA CB C 575 20.693 20.693 22.822 -2.129 18490
100 1 . 1 1 23 23 ALA H H 575 9.307 9.307 8.973 0.334 18490
101 1 . 1 1 24 24 GLU N N 576 118.347 118.347 124.356 -6.009 18490
102 1 . 1 1 24 24 GLU HA H 576 4.973 4.973 4.386 0.587 18490
103 1 . 1 1 24 24 GLU CA C 576 51.193 51.193 55.017 -3.824 18490
104 1 . 1 1 24 24 GLU CB C 576 30.980 30.980 30.444 0.536 18490
105 1 . 1 1 24 24 GLU H H 576 8.267 8.267 8.587 -0.320 18490
106 1 . 1 1 25 25 VAL N N 577 124.034 124.034 126.891 -2.857 18490
107 1 . 1 1 25 25 VAL HA H 577 3.402 3.402 3.532 -0.130 18490
108 1 . 1 1 25 25 VAL CA C 577 62.184 62.184 64.522 -2.338 18490
109 1 . 1 1 25 25 VAL CB C 577 28.796 28.796 31.014 -2.218 18490
110 1 . 1 1 25 25 VAL H H 577 8.840 8.840 8.361 0.479 18490
111 1 . 1 1 26 26 GLU N N 578 131.333 131.333 130.407 0.926 18490
112 1 . 1 1 26 26 GLU HA H 578 4.476 4.476 4.338 0.138 18490
113 1 . 1 1 26 26 GLU CA C 578 54.201 54.201 56.304 -2.103 18490
114 1 . 1 1 26 26 GLU CB C 578 27.969 27.969 31.639 -3.670 18490
115 1 . 1 1 26 26 GLU H H 578 9.368 9.368 8.768 0.600 18490
116 1 . 1 1 27 27 ALA N N 579 117.488 117.488 122.018 -4.530 18490
117 1 . 1 1 27 27 ALA HA H 579 4.314 4.314 4.564 -0.250 18490
118 1 . 1 1 27 27 ALA CA C 579 49.142 49.142 52.282 -3.140 18490
119 1 . 1 1 27 27 ALA CB C 579 19.563 19.563 20.422 -0.859 18490
120 1 . 1 1 27 27 ALA H H 579 7.681 7.681 7.902 -0.221 18490
121 1 . 1 1 28 28 LEU N N 580 122.399 122.399 125.173 -2.774 18490
122 1 . 1 1 28 28 LEU HA H 580 4.540 4.540 4.682 -0.142 18490
123 1 . 1 1 28 28 LEU CA C 580 50.734 50.734 54.094 -3.360 18490
124 1 . 1 1 28 28 LEU CB C 580 39.607 39.607 41.757 -2.150 18490
125 1 . 1 1 28 28 LEU H H 580 8.860 8.860 8.525 0.335 18490
126 1 . 1 1 29 29 HIS N N 581 123.783 123.783 119.915 3.868 18490
127 1 . 1 1 29 29 HIS H H 581 7.867 7.867 8.223 -0.356 18490
128 1 . 1 1 30 30 SER N N 582 109.799 109.799 117.855 -8.056 18490
129 1 . 1 1 30 30 SER H H 582 7.731 7.731 8.369 -0.638 18490
130 1 . 1 1 31 31 SER HA H 583 4.191 4.191 4.389 -0.198 18490
131 1 . 1 1 31 31 SER CA C 583 57.135 57.135 58.867 -1.732 18490
132 1 . 1 1 31 31 SER CB C 583 61.202 61.202 63.343 -2.141 18490
133 1 . 1 1 32 32 GLY N N 584 108.532 108.532 109.216 -0.684 18490
134 1 . 1 1 32 32 GLY CA C 584 43.284 43.284 45.679 -2.395 18490
135 1 . 1 1 32 32 GLY H H 584 8.017 8.017 8.073 -0.056 18490
136 1 . 1 1 33 33 MET N N 585 113.817 113.817 117.046 -3.229 18490
137 1 . 1 1 33 33 MET HA H 585 4.637 4.637 4.698 -0.061 18490
138 1 . 1 1 33 33 MET CA C 585 53.230 53.230 56.259 -3.028 18490
139 1 . 1 1 33 33 MET CB C 585 31.595 31.595 33.438 -1.843 18490
140 1 . 1 1 33 33 MET H H 585 8.057 8.057 8.152 -0.095 18490
141 1 . 1 1 34 34 THR N N 586 107.993 107.993 111.225 -3.232 18490
142 1 . 1 1 34 34 THR HA H 586 3.936 3.936 5.011 -1.075 18490
143 1 . 1 1 34 34 THR CA C 586 55.762 55.762 60.052 -4.290 18490
144 1 . 1 1 34 34 THR CB C 586 70.532 70.532 71.687 -1.155 18490
145 1 . 1 1 34 34 THR H H 586 7.014 7.014 7.583 -0.569 18490
146 1 . 1 1 35 35 ALA N N 587 122.076 122.076 121.911 0.165 18490
147 1 . 1 1 35 35 ALA HA H 587 4.796 4.796 4.828 -0.032 18490
148 1 . 1 1 35 35 ALA CA C 587 47.732 47.732 50.963 -3.231 18490
149 1 . 1 1 35 35 ALA CB C 587 19.913 19.913 22.309 -2.396 18490
150 1 . 1 1 35 35 ALA H H 587 9.110 9.110 8.687 0.423 18490
151 1 . 1 1 36 36 VAL N N 588 120.263 120.263 123.311 -3.048 18490
152 1 . 1 1 36 36 VAL HA H 588 4.674 4.674 4.826 -0.152 18490
153 1 . 1 1 36 36 VAL CA C 588 59.314 59.314 61.395 -2.081 18490
154 1 . 1 1 36 36 VAL CB C 588 29.945 29.945 32.819 -2.874 18490
155 1 . 1 1 36 36 VAL H H 588 8.656 8.656 8.487 0.169 18490
156 1 . 1 1 37 37 VAL N N 589 120.768 120.768 121.450 -0.682 18490
157 1 . 1 1 37 37 VAL HA H 589 4.873 4.873 4.591 0.282 18490
158 1 . 1 1 37 37 VAL CA C 589 54.971 54.971 59.476 -4.505 18490
159 1 . 1 1 37 37 VAL CB C 589 31.584 31.584 34.765 -3.181 18490
160 1 . 1 1 37 37 VAL H H 589 9.082 9.082 8.608 0.474 18490
161 1 . 1 1 38 38 LYS N N 590 121.105 121.105 126.012 -4.907 18490
162 1 . 1 1 38 38 LYS HA H 590 4.425 4.425 4.868 -0.443 18490
163 1 . 1 1 38 38 LYS CA C 590 50.850 50.850 54.450 -3.600 18490
164 1 . 1 1 38 38 LYS CB C 590 32.552 32.552 33.625 -1.074 18490
165 1 . 1 1 38 38 LYS H H 590 8.534 8.534 8.505 0.029 18490
166 1 . 1 1 39 39 PHE N N 591 126.314 126.314 127.181 -0.867 18490
167 1 . 1 1 39 39 PHE HA H 591 4.325 4.325 4.606 -0.281 18490
168 1 . 1 1 39 39 PHE CA C 591 57.189 57.189 59.032 -1.843 18490
169 1 . 1 1 39 39 PHE CB C 591 35.700 35.700 38.130 -2.430 18490
170 1 . 1 1 39 39 PHE H H 591 8.511 8.511 8.473 0.038 18490
171 1 . 1 1 40 40 ILE N N 592 124.308 124.308 123.866 0.442 18490
172 1 . 1 1 40 40 ILE HA H 592 3.475 3.475 3.892 -0.417 18490
173 1 . 1 1 40 40 ILE CA C 592 61.510 61.510 63.807 -2.297 18490
174 1 . 1 1 40 40 ILE CB C 592 35.178 35.178 37.474 -2.296 18490
175 1 . 1 1 40 40 ILE H H 592 7.677 7.677 8.167 -0.490 18490
176 1 . 1 1 41 41 ASP N N 593 119.217 119.217 118.442 0.775 18490
177 1 . 1 1 41 41 ASP H H 593 9.043 9.043 8.483 0.560 18490
178 1 . 1 1 42 42 TYR HA H 594 4.683 4.683 4.684 -0.002 18490
179 1 . 1 1 43 43 GLY N N 595 106.446 106.446 108.295 -1.849 18490
180 1 . 1 1 43 43 GLY CA C 595 43.136 43.136 45.556 -2.420 18490
181 1 . 1 1 43 43 GLY H H 595 8.036 8.036 8.711 -0.675 18490
182 1 . 1 1 44 44 ASN N N 596 114.398 114.398 116.605 -2.207 18490
183 1 . 1 1 44 44 ASN HA H 596 4.672 4.672 5.131 -0.459 18490
184 1 . 1 1 44 44 ASN CA C 596 50.263 50.263 51.795 -1.532 18490
185 1 . 1 1 44 44 ASN CB C 596 35.429 35.429 40.586 -5.157 18490
186 1 . 1 1 44 44 ASN H H 596 8.520 8.520 8.053 0.467 18490
187 1 . 1 1 45 45 TYR N N 597 120.716 120.716 114.501 6.215 18490
188 1 . 1 1 45 45 TYR HA H 597 5.584 5.584 5.692 -0.108 18490
189 1 . 1 1 45 45 TYR CA C 597 53.901 53.901 55.711 -1.810 18490
190 1 . 1 1 45 45 TYR CB C 597 37.432 37.432 41.064 -3.632 18490
191 1 . 1 1 45 45 TYR H H 597 8.650 8.650 8.219 0.431 18490
192 1 . 1 1 46 46 GLU N N 598 118.075 118.075 118.826 -0.751 18490
193 1 . 1 1 46 46 GLU HA H 598 4.868 4.868 4.680 0.188 18490
194 1 . 1 1 46 46 GLU CA C 598 51.210 51.210 54.690 -3.480 18490
195 1 . 1 1 46 46 GLU CB C 598 32.241 32.241 32.739 -0.498 18490
196 1 . 1 1 46 46 GLU H H 598 8.822 8.822 8.722 0.100 18490
197 1 . 1 1 47 47 GLU N N 599 122.692 122.692 121.062 1.630 18490
198 1 . 1 1 47 47 GLU HA H 599 5.015 5.015 4.957 0.058 18490
199 1 . 1 1 47 47 GLU CA C 599 52.847 52.847 56.298 -3.451 18490
200 1 . 1 1 47 47 GLU CB C 599 27.852 27.852 30.456 -2.603 18490
201 1 . 1 1 47 47 GLU H H 599 8.892 8.892 8.625 0.267 18490
202 1 . 1 1 48 48 VAL N N 600 125.296 125.296 122.516 2.780 18490
203 1 . 1 1 48 48 VAL HA H 600 4.585 4.585 4.414 0.171 18490
204 1 . 1 1 48 48 VAL CA C 600 56.932 56.932 60.468 -3.536 18490
205 1 . 1 1 48 48 VAL CB C 600 33.645 33.645 35.924 -2.279 18490
206 1 . 1 1 48 48 VAL H H 600 9.280 9.280 8.808 0.472 18490
207 1 . 1 1 49 49 LEU N N 601 123.816 123.816 124.919 -1.103 18490
208 1 . 1 1 49 49 LEU HA H 601 4.349 4.349 4.447 -0.098 18490
209 1 . 1 1 49 49 LEU CA C 601 52.625 52.625 56.032 -3.407 18490
210 1 . 1 1 49 49 LEU CB C 601 39.834 39.834 42.516 -2.682 18490
211 1 . 1 1 49 49 LEU H H 601 8.628 8.628 8.633 -0.005 18490
212 1 . 1 1 50 50 LEU N N 602 123.131 123.131 126.672 -3.541 18490
213 1 . 1 1 50 50 LEU HA H 602 3.729 3.729 4.129 -0.400 18490
214 1 . 1 1 50 50 LEU CA C 602 55.206 55.206 58.780 -3.574 18490
215 1 . 1 1 50 50 LEU CB C 602 38.582 38.582 41.809 -3.227 18490
216 1 . 1 1 50 50 LEU H H 602 8.183 8.183 8.448 -0.265 18490
217 1 . 1 1 51 51 SER N N 603 109.799 109.799 110.983 -1.184 18490
218 1 . 1 1 51 51 SER HA H 603 4.228 4.228 4.439 -0.211 18490
219 1 . 1 1 51 51 SER CA C 603 57.025 57.025 59.912 -2.887 18490
220 1 . 1 1 51 51 SER CB C 603 59.696 59.696 62.726 -3.030 18490
221 1 . 1 1 51 51 SER H H 603 7.731 7.731 8.600 -0.869 18490
222 1 . 1 1 52 52 ASN N N 604 120.726 120.726 118.769 1.957 18490
223 1 . 1 1 52 52 ASN HA H 604 5.134 5.134 5.138 -0.004 18490
224 1 . 1 1 52 52 ASN CA C 604 49.901 49.901 53.139 -3.238 18490
225 1 . 1 1 52 52 ASN CB C 604 36.854 36.854 40.200 -3.346 18490
226 1 . 1 1 52 52 ASN H H 604 7.952 7.952 8.013 -0.061 18490
227 1 . 1 1 53 53 ILE N N 605 115.439 115.439 121.248 -5.809 18490
228 1 . 1 1 53 53 ILE HA H 605 5.011 5.011 5.009 0.002 18490
229 1 . 1 1 53 53 ILE CA C 605 57.761 57.761 61.157 -3.396 18490
230 1 . 1 1 53 53 ILE CB C 605 37.464 37.464 39.535 -2.071 18490
231 1 . 1 1 53 53 ILE H H 605 7.162 7.162 7.708 -0.546 18490
232 1 . 1 1 54 54 LYS N N 606 122.864 122.864 127.198 -4.334 18490
233 1 . 1 1 54 54 LYS H H 606 9.245 9.245 9.336 -0.091 18490
234 1 . 1 1 55 55 PRO HA H 607 4.870 4.870 4.819 0.051 18490
235 1 . 1 1 55 55 PRO CA C 607 59.942 59.942 63.016 -3.074 18490
236 1 . 1 1 55 55 PRO CB C 607 29.980 29.980 32.544 -2.564 18490
237 1 . 1 1 56 56 ILE N N 608 118.715 118.715 119.822 -1.107 18490
238 1 . 1 1 56 56 ILE HA H 608 3.910 3.910 4.293 -0.383 18490
239 1 . 1 1 56 56 ILE CA C 608 58.905 58.905 62.806 -3.901 18490
240 1 . 1 1 56 56 ILE CB C 608 34.964 34.964 38.783 -3.819 18490
241 1 . 1 1 56 56 ILE H H 608 8.363 8.363 8.765 -0.402 18490
242 1 . 1 1 57 57 LEU N N 609 124.451 124.451 118.724 5.727 18490
243 1 . 1 1 57 57 LEU HA H 609 4.251 4.251 4.672 -0.421 18490
244 1 . 1 1 57 57 LEU CA C 609 52.007 52.007 54.560 -2.553 18490
245 1 . 1 1 57 57 LEU CB C 609 39.827 39.827 43.552 -3.725 18490
246 1 . 1 1 57 57 LEU H H 609 8.034 8.034 7.648 0.386 18490
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