data_19513
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19513
_Entry.PDB_ID 2ME2
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 19513
_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 1 658 658 LYS HA H 658 4.287 4.287 4.541 -0.254 19513
2 1 1 . 1 1 658 658 LYS C C 658 175.629 175.629 175.261 0.368 19513
3 1 1 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.084 0.562 19513
4 1 1 . 1 1 658 658 LYS CB C 658 32.996 32.996 32.676 0.320 19513
5 1 1 . 1 1 659 659 ASP N N 659 121.467 121.467 121.286 0.181 19513
6 1 1 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.713 -0.115 19513
7 1 1 . 1 1 659 659 ASP C C 659 176.474 176.474 176.547 -0.073 19513
8 1 1 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.757 0.464 19513
9 1 1 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.946 -0.617 19513
10 1 1 . 1 1 659 659 ASP H H 659 8.348 8.348 8.029 0.319 19513
11 1 1 . 1 1 660 660 LEU N N 660 123.085 123.085 120.348 2.737 19513
12 1 1 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.440 -0.226 19513
13 1 1 . 1 1 660 660 LEU C C 660 177.141 177.141 179.011 -1.870 19513
14 1 1 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.759 -0.259 19513
15 1 1 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.280 0.226 19513
16 1 1 . 1 1 660 660 LEU H H 660 8.501 8.501 8.217 0.284 19513
17 1 1 . 1 1 661 661 LEU N N 661 118.555 118.555 120.951 -2.396 19513
18 1 1 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.263 0.097 19513
19 1 1 . 1 1 661 661 LEU C C 661 176.318 176.318 177.402 -1.084 19513
20 1 1 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.760 -1.916 19513
21 1 1 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.514 0.311 19513
22 1 1 . 1 1 661 661 LEU H H 661 8.130 8.130 7.962 0.168 19513
23 1 1 . 1 1 662 662 ALA N N 662 122.853 122.853 120.824 2.029 19513
24 1 1 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.238 0.177 19513
25 1 1 . 1 1 662 662 ALA C C 662 177.941 177.941 178.745 -0.804 19513
26 1 1 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.646 -0.502 19513
27 1 1 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.673 1.673 19513
28 1 1 . 1 1 662 662 ALA H H 662 7.864 7.864 8.222 -0.358 19513
29 1 1 . 1 1 663 663 LEU N N 663 121.303 121.303 125.720 -4.417 19513
30 1 1 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.438 -0.239 19513
31 1 1 . 1 1 663 663 LEU C C 663 177.963 177.963 177.706 0.257 19513
32 1 1 . 1 1 663 663 LEU CA C 663 56.639 56.639 57.047 -0.408 19513
33 1 1 . 1 1 663 663 LEU CB C 663 42.020 42.020 42.028 -0.007 19513
34 1 1 . 1 1 663 663 LEU H H 663 8.314 8.314 8.388 -0.074 19513
35 1 1 . 1 1 664 664 ASP N N 664 118.224 118.224 118.450 -0.226 19513
36 1 1 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.527 -0.086 19513
37 1 1 . 1 1 664 664 ASP C C 664 177.541 177.541 178.148 -0.607 19513
38 1 1 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.166 -0.849 19513
39 1 1 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.218 0.695 19513
40 1 1 . 1 1 664 664 ASP H H 664 8.448 8.448 8.647 -0.199 19513
41 1 1 . 1 1 665 665 SER N N 665 113.947 113.947 113.926 0.021 19513
42 1 1 . 1 1 665 665 SER HA H 665 4.361 4.361 4.555 -0.194 19513
43 1 1 . 1 1 665 665 SER C C 665 175.562 175.562 175.050 0.512 19513
44 1 1 . 1 1 665 665 SER CA C 665 60.048 60.048 59.872 0.176 19513
45 1 1 . 1 1 665 665 SER CB C 665 63.503 63.503 63.770 -0.267 19513
46 1 1 . 1 1 665 665 SER H H 665 7.921 7.921 7.861 0.060 19513
47 1 1 . 1 1 666 666 TRP N N 666 122.464 122.464 123.526 -1.062 19513
48 1 1 . 1 1 666 666 TRP HA H 666 4.508 4.508 4.161 0.347 19513
49 1 1 . 1 1 666 666 TRP C C 666 177.118 177.118 177.423 -0.305 19513
50 1 1 . 1 1 666 666 TRP CA C 666 58.835 58.835 61.106 -2.271 19513
51 1 1 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.502 -0.240 19513
52 1 1 . 1 1 666 666 TRP H H 666 8.048 8.048 7.990 0.058 19513
53 1 1 . 1 1 667 667 LYS N N 667 118.273 118.273 119.066 -0.793 19513
54 1 1 . 1 1 667 667 LYS HA H 667 3.931 3.931 4.177 -0.246 19513
55 1 1 . 1 1 667 667 LYS C C 667 178.186 178.186 178.929 -0.743 19513
56 1 1 . 1 1 667 667 LYS CA C 667 59.464 59.464 60.292 -0.828 19513
57 1 1 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.931 0.413 19513
58 1 1 . 1 1 667 667 LYS H H 667 7.876 7.876 8.011 -0.135 19513
59 1 1 . 1 1 668 668 ASN N N 668 116.883 116.883 116.959 -0.076 19513
60 1 1 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.542 0.095 19513
61 1 1 . 1 1 668 668 ASN C C 668 176.763 176.763 177.526 -0.763 19513
62 1 1 . 1 1 668 668 ASN CA C 668 54.804 54.804 56.105 -1.301 19513
63 1 1 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.415 -0.171 19513
64 1 1 . 1 1 668 668 ASN H H 668 8.117 8.117 7.897 0.220 19513
65 1 1 . 1 1 669 669 LEU N N 669 121.093 121.093 121.258 -0.165 19513
66 1 1 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.021 -0.016 19513
67 1 1 . 1 1 669 669 LEU C C 669 177.519 177.519 177.604 -0.085 19513
68 1 1 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.140 0.723 19513
69 1 1 . 1 1 669 669 LEU CB C 669 42.226 42.226 40.937 1.289 19513
70 1 1 . 1 1 669 669 LEU H H 669 7.833 7.833 7.865 -0.032 19513
71 1 1 . 1 1 670 670 TRP N N 670 116.959 116.959 119.898 -2.939 19513
72 1 1 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.628 -0.043 19513
73 1 1 . 1 1 670 670 TRP C C 670 177.496 177.496 179.200 -1.704 19513
74 1 1 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.541 -0.623 19513
75 1 1 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.619 0.031 19513
76 1 1 . 1 1 670 670 TRP H H 670 7.864 7.864 8.628 -0.764 19513
77 1 1 . 1 1 671 671 SER N N 671 113.455 113.455 113.616 -0.161 19513
78 1 1 . 1 1 671 671 SER HA H 671 4.253 4.253 4.426 -0.172 19513
79 1 1 . 1 1 671 671 SER C C 671 175.562 175.562 175.743 -0.181 19513
80 1 1 . 1 1 671 671 SER CA C 671 60.643 60.643 60.443 0.200 19513
81 1 1 . 1 1 671 671 SER CB C 671 63.441 63.441 63.081 0.360 19513
82 1 1 . 1 1 671 671 SER H H 671 7.950 7.950 8.200 -0.250 19513
83 1 1 . 1 1 672 672 TRP N N 672 121.536 121.536 121.841 -0.305 19513
84 1 1 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.336 0.125 19513
85 1 1 . 1 1 672 672 TRP C C 672 176.785 176.785 175.991 0.794 19513
86 1 1 . 1 1 672 672 TRP CA C 672 59.160 59.160 59.744 -0.584 19513
87 1 1 . 1 1 672 672 TRP CB C 672 29.455 29.455 29.828 -0.373 19513
88 1 1 . 1 1 672 672 TRP H H 672 7.895 7.895 7.390 0.505 19513
89 1 1 . 1 1 673 673 PHE N N 673 118.414 118.414 119.492 -1.078 19513
90 1 1 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.619 -0.338 19513
91 1 1 . 1 1 673 673 PHE C C 673 175.473 175.473 175.391 0.082 19513
92 1 1 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.239 1.954 19513
93 1 1 . 1 1 673 673 PHE CB C 673 39.375 39.375 38.173 1.202 19513
94 1 1 . 1 1 673 673 PHE H H 673 7.942 7.942 7.565 0.377 19513
95 1 1 . 1 1 674 674 SER N N 674 114.868 114.868 119.944 -5.076 19513
96 1 1 . 1 1 674 674 SER HA H 674 4.362 4.362 4.654 -0.292 19513
97 1 1 . 1 1 674 674 SER C C 674 175.273 175.273 175.532 -0.259 19513
98 1 1 . 1 1 674 674 SER CA C 674 58.612 58.612 56.859 1.753 19513
99 1 1 . 1 1 674 674 SER CB C 674 63.602 63.602 62.440 1.162 19513
100 1 1 . 1 1 674 674 SER H H 674 7.698 7.698 8.302 -0.604 19513
101 1 1 . 1 1 675 675 ILE N N 675 121.205 121.205 125.156 -3.951 19513
102 1 1 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.168 -0.199 19513
103 1 1 . 1 1 675 675 ILE C C 675 176.696 176.696 177.439 -0.743 19513
104 1 1 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.526 -0.667 19513
105 1 1 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.026 1.390 19513
106 1 1 . 1 1 675 675 ILE H H 675 8.067 8.067 7.644 0.423 19513
107 1 1 . 1 1 676 676 THR N N 676 113.871 113.871 114.029 -0.158 19513
108 1 1 . 1 1 676 676 THR HA H 676 3.934 3.934 4.013 -0.079 19513
109 1 1 . 1 1 676 676 THR C C 676 175.384 175.384 176.698 -1.314 19513
110 1 1 . 1 1 676 676 THR CA C 676 64.588 64.588 66.127 -1.539 19513
111 1 1 . 1 1 676 676 THR CB C 676 68.930 68.930 68.547 0.383 19513
112 1 1 . 1 1 676 676 THR H H 676 7.819 7.819 8.634 -0.815 19513
113 1 1 . 1 1 677 677 ASN N N 677 119.341 119.341 119.368 -0.027 19513
114 1 1 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.645 -0.078 19513
115 1 1 . 1 1 677 677 ASN C C 677 175.940 175.940 177.023 -1.083 19513
116 1 1 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.272 -0.718 19513
117 1 1 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.654 -0.533 19513
118 1 1 . 1 1 677 677 ASN H H 677 7.989 7.989 7.996 -0.007 19513
119 1 1 . 1 1 678 678 TRP N N 678 119.377 119.377 119.835 -0.458 19513
120 1 1 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.626 -0.035 19513
121 1 1 . 1 1 678 678 TRP C C 678 176.785 176.785 178.068 -1.283 19513
122 1 1 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.107 -0.411 19513
123 1 1 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.522 0.122 19513
124 1 1 . 1 1 678 678 TRP H H 678 7.792 7.792 8.176 -0.384 19513
125 1 1 . 1 1 679 679 LEU N N 679 117.934 117.934 120.095 -2.161 19513
126 1 1 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.167 0.827 19513
127 1 1 . 1 1 679 679 LEU C C 679 177.430 177.430 177.886 -0.456 19513
128 1 1 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.562 0.188 19513
129 1 1 . 1 1 679 679 LEU CB C 679 41.760 41.760 40.891 0.869 19513
130 1 1 . 1 1 679 679 LEU H H 679 7.752 7.752 8.397 -0.645 19513
131 1 1 . 1 1 680 680 TRP N N 680 117.268 117.268 119.485 -2.217 19513
132 1 1 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.287 0.059 19513
133 1 1 . 1 1 680 680 TRP C C 680 176.340 176.340 177.711 -1.371 19513
134 1 1 . 1 1 680 680 TRP CA C 680 58.835 58.835 61.465 -2.630 19513
135 1 1 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.420 -0.232 19513
136 1 1 . 1 1 680 680 TRP H H 680 7.543 7.543 7.547 -0.004 19513
137 1 1 . 1 1 681 681 TYR N N 681 116.283 116.283 119.427 -3.144 19513
138 1 1 . 1 1 681 681 TYR HA H 681 4.170 4.170 4.350 -0.180 19513
139 1 1 . 1 1 681 681 TYR C C 681 175.607 175.607 176.370 -0.763 19513
140 1 1 . 1 1 681 681 TYR CA C 681 59.670 59.670 60.384 -0.714 19513
141 1 1 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.984 0.133 19513
142 1 1 . 1 1 681 681 TYR H H 681 7.473 7.473 7.705 -0.232 19513
143 1 1 . 1 1 682 682 ILE N N 682 115.196 115.196 113.064 2.132 19513
144 1 1 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.133 0.052 19513
145 1 1 . 1 1 682 682 ILE C C 682 174.317 174.317 176.199 -1.882 19513
146 1 1 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.944 0.260 19513
147 1 1 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.244 -0.349 19513
148 1 1 . 1 1 682 682 ILE H H 682 7.483 7.483 7.193 0.290 19513
149 1 2 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.443 -0.156 19513
150 1 2 . 1 1 658 658 LYS C C 658 175.629 175.629 175.262 0.367 19513
151 1 2 . 1 1 658 658 LYS CA C 658 56.645 56.645 55.926 0.719 19513
152 1 2 . 1 1 658 658 LYS CB C 658 32.996 32.996 32.474 0.522 19513
153 1 2 . 1 1 659 659 ASP N N 659 121.467 121.467 119.898 1.569 19513
154 1 2 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.670 -0.072 19513
155 1 2 . 1 1 659 659 ASP C C 659 176.474 176.474 176.903 -0.429 19513
156 1 2 . 1 1 659 659 ASP CA C 659 54.221 54.221 54.077 0.144 19513
157 1 2 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.865 -0.536 19513
158 1 2 . 1 1 659 659 ASP H H 659 8.348 8.348 8.072 0.276 19513
159 1 2 . 1 1 660 660 LEU N N 660 123.085 123.085 120.131 2.954 19513
160 1 2 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.477 -0.263 19513
161 1 2 . 1 1 660 660 LEU C C 660 177.141 177.141 178.921 -1.780 19513
162 1 2 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.903 -0.403 19513
163 1 2 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.190 0.316 19513
164 1 2 . 1 1 660 660 LEU H H 660 8.501 8.501 8.202 0.299 19513
165 1 2 . 1 1 661 661 LEU N N 661 118.555 118.555 120.929 -2.374 19513
166 1 2 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.249 0.111 19513
167 1 2 . 1 1 661 661 LEU C C 661 176.318 176.318 177.353 -1.035 19513
168 1 2 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.698 -1.854 19513
169 1 2 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.502 0.323 19513
170 1 2 . 1 1 661 661 LEU H H 661 8.130 8.130 7.903 0.227 19513
171 1 2 . 1 1 662 662 ALA N N 662 122.853 122.853 120.869 1.984 19513
172 1 2 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.214 0.201 19513
173 1 2 . 1 1 662 662 ALA C C 662 177.941 177.941 178.620 -0.679 19513
174 1 2 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.529 -0.385 19513
175 1 2 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.632 1.714 19513
176 1 2 . 1 1 662 662 ALA H H 662 7.864 7.864 8.194 -0.330 19513
177 1 2 . 1 1 663 663 LEU N N 663 121.303 121.303 125.568 -4.265 19513
178 1 2 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.278 -0.079 19513
179 1 2 . 1 1 663 663 LEU C C 663 177.963 177.963 177.601 0.362 19513
180 1 2 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.944 -0.305 19513
181 1 2 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.898 0.122 19513
182 1 2 . 1 1 663 663 LEU H H 663 8.314 8.314 8.303 0.011 19513
183 1 2 . 1 1 664 664 ASP N N 664 118.224 118.224 118.462 -0.238 19513
184 1 2 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.467 -0.026 19513
185 1 2 . 1 1 664 664 ASP C C 664 177.541 177.541 178.075 -0.534 19513
186 1 2 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.083 -0.765 19513
187 1 2 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.146 0.767 19513
188 1 2 . 1 1 664 664 ASP H H 664 8.448 8.448 8.586 -0.138 19513
189 1 2 . 1 1 665 665 SER N N 665 113.947 113.947 113.851 0.096 19513
190 1 2 . 1 1 665 665 SER HA H 665 4.361 4.361 4.487 -0.126 19513
191 1 2 . 1 1 665 665 SER C C 665 175.562 175.562 174.581 0.981 19513
192 1 2 . 1 1 665 665 SER CA C 665 60.048 60.048 60.010 0.038 19513
193 1 2 . 1 1 665 665 SER CB C 665 63.503 63.503 63.608 -0.105 19513
194 1 2 . 1 1 665 665 SER H H 665 7.921 7.921 7.838 0.083 19513
195 1 2 . 1 1 666 666 TRP N N 666 122.464 122.464 122.884 -0.420 19513
196 1 2 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.987 0.521 19513
197 1 2 . 1 1 666 666 TRP C C 666 177.118 177.118 177.370 -0.252 19513
198 1 2 . 1 1 666 666 TRP CA C 666 58.835 58.835 61.060 -2.225 19513
199 1 2 . 1 1 666 666 TRP CB C 666 29.262 29.262 28.986 0.276 19513
200 1 2 . 1 1 666 666 TRP H H 666 8.048 8.048 7.803 0.245 19513
201 1 2 . 1 1 667 667 LYS N N 667 118.273 118.273 118.644 -0.371 19513
202 1 2 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.887 0.044 19513
203 1 2 . 1 1 667 667 LYS C C 667 178.186 178.186 178.800 -0.614 19513
204 1 2 . 1 1 667 667 LYS CA C 667 59.464 59.464 60.097 -0.633 19513
205 1 2 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.811 0.533 19513
206 1 2 . 1 1 667 667 LYS H H 667 7.876 7.876 7.727 0.149 19513
207 1 2 . 1 1 668 668 ASN N N 668 116.883 116.883 117.381 -0.498 19513
208 1 2 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.536 0.101 19513
209 1 2 . 1 1 668 668 ASN C C 668 176.763 176.763 177.579 -0.816 19513
210 1 2 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.687 -0.883 19513
211 1 2 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.581 -0.337 19513
212 1 2 . 1 1 668 668 ASN H H 668 8.117 8.117 7.749 0.368 19513
213 1 2 . 1 1 669 669 LEU N N 669 121.093 121.093 121.776 -0.683 19513
214 1 2 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.093 -0.088 19513
215 1 2 . 1 1 669 669 LEU C C 669 177.519 177.519 177.721 -0.202 19513
216 1 2 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.404 0.459 19513
217 1 2 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.920 0.306 19513
218 1 2 . 1 1 669 669 LEU H H 669 7.833 7.833 7.815 0.018 19513
219 1 2 . 1 1 670 670 TRP N N 670 116.959 116.959 119.518 -2.559 19513
220 1 2 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.454 0.131 19513
221 1 2 . 1 1 670 670 TRP C C 670 177.496 177.496 178.421 -0.925 19513
222 1 2 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.386 -0.468 19513
223 1 2 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.757 -0.107 19513
224 1 2 . 1 1 670 670 TRP H H 670 7.864 7.864 8.440 -0.576 19513
225 1 2 . 1 1 671 671 SER N N 671 113.455 113.455 112.185 1.270 19513
226 1 2 . 1 1 671 671 SER HA H 671 4.253 4.253 4.362 -0.109 19513
227 1 2 . 1 1 671 671 SER C C 671 175.562 175.562 175.684 -0.122 19513
228 1 2 . 1 1 671 671 SER CA C 671 60.643 60.643 61.080 -0.437 19513
229 1 2 . 1 1 671 671 SER CB C 671 63.441 63.441 63.354 0.087 19513
230 1 2 . 1 1 671 671 SER H H 671 7.950 7.950 7.969 -0.019 19513
231 1 2 . 1 1 672 672 TRP N N 672 121.536 121.536 121.738 -0.202 19513
232 1 2 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.350 0.111 19513
233 1 2 . 1 1 672 672 TRP C C 672 176.785 176.785 177.530 -0.745 19513
234 1 2 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.169 -1.009 19513
235 1 2 . 1 1 672 672 TRP CB C 672 29.455 29.455 29.822 -0.367 19513
236 1 2 . 1 1 672 672 TRP H H 672 7.895 7.895 7.495 0.400 19513
237 1 2 . 1 1 673 673 PHE N N 673 118.414 118.414 118.822 -0.408 19513
238 1 2 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.688 -0.407 19513
239 1 2 . 1 1 673 673 PHE C C 673 175.473 175.473 176.606 -1.133 19513
240 1 2 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.868 1.325 19513
241 1 2 . 1 1 673 673 PHE CB C 673 39.375 39.375 38.464 0.911 19513
242 1 2 . 1 1 673 673 PHE H H 673 7.942 7.942 8.278 -0.336 19513
243 1 2 . 1 1 674 674 SER N N 674 114.868 114.868 123.569 -8.701 19513
244 1 2 . 1 1 674 674 SER HA H 674 4.362 4.362 4.615 -0.253 19513
245 1 2 . 1 1 674 674 SER C C 674 175.273 175.273 175.341 -0.068 19513
246 1 2 . 1 1 674 674 SER CA C 674 58.612 58.612 58.273 0.339 19513
247 1 2 . 1 1 674 674 SER CB C 674 63.602 63.602 62.205 1.397 19513
248 1 2 . 1 1 674 674 SER H H 674 7.698 7.698 8.922 -1.224 19513
249 1 2 . 1 1 675 675 ILE N N 675 121.205 121.205 124.203 -2.998 19513
250 1 2 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.133 -0.164 19513
251 1 2 . 1 1 675 675 ILE C C 675 176.696 176.696 177.305 -0.609 19513
252 1 2 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.373 -0.514 19513
253 1 2 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.194 1.222 19513
254 1 2 . 1 1 675 675 ILE H H 675 8.067 8.067 8.413 -0.346 19513
255 1 2 . 1 1 676 676 THR N N 676 113.871 113.871 114.492 -0.621 19513
256 1 2 . 1 1 676 676 THR HA H 676 3.934 3.934 3.919 0.015 19513
257 1 2 . 1 1 676 676 THR C C 676 175.384 175.384 176.624 -1.240 19513
258 1 2 . 1 1 676 676 THR CA C 676 64.588 64.588 66.239 -1.651 19513
259 1 2 . 1 1 676 676 THR CB C 676 68.930 68.930 68.344 0.586 19513
260 1 2 . 1 1 676 676 THR H H 676 7.819 7.819 8.616 -0.797 19513
261 1 2 . 1 1 677 677 ASN N N 677 119.341 119.341 118.985 0.356 19513
262 1 2 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.768 -0.201 19513
263 1 2 . 1 1 677 677 ASN C C 677 175.940 175.940 176.716 -0.776 19513
264 1 2 . 1 1 677 677 ASN CA C 677 54.554 54.554 56.122 -1.568 19513
265 1 2 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.390 -0.269 19513
266 1 2 . 1 1 677 677 ASN H H 677 7.989 7.989 7.960 0.029 19513
267 1 2 . 1 1 678 678 TRP N N 678 119.377 119.377 120.002 -0.625 19513
268 1 2 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.658 -0.067 19513
269 1 2 . 1 1 678 678 TRP C C 678 176.785 176.785 177.440 -0.655 19513
270 1 2 . 1 1 678 678 TRP CA C 678 58.696 58.696 58.762 -0.066 19513
271 1 2 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.904 -0.260 19513
272 1 2 . 1 1 678 678 TRP H H 678 7.792 7.792 8.288 -0.496 19513
273 1 2 . 1 1 679 679 LEU N N 679 117.934 117.934 120.278 -2.344 19513
274 1 2 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.233 0.761 19513
275 1 2 . 1 1 679 679 LEU C C 679 177.430 177.430 177.648 -0.218 19513
276 1 2 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.385 0.365 19513
277 1 2 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.413 0.347 19513
278 1 2 . 1 1 679 679 LEU H H 679 7.752 7.752 8.429 -0.677 19513
279 1 2 . 1 1 680 680 TRP N N 680 117.268 117.268 120.352 -3.084 19513
280 1 2 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.289 0.057 19513
281 1 2 . 1 1 680 680 TRP C C 680 176.340 176.340 176.477 -0.137 19513
282 1 2 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.629 -0.794 19513
283 1 2 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.143 0.045 19513
284 1 2 . 1 1 680 680 TRP H H 680 7.543 7.543 7.847 -0.304 19513
285 1 2 . 1 1 681 681 TYR N N 681 116.283 116.283 120.112 -3.829 19513
286 1 2 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.375 0.795 19513
287 1 2 . 1 1 681 681 TYR C C 681 175.607 175.607 175.751 -0.144 19513
288 1 2 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.752 -0.083 19513
289 1 2 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.989 0.128 19513
290 1 2 . 1 1 681 681 TYR H H 681 7.473 7.473 7.319 0.154 19513
291 1 2 . 1 1 682 682 ILE N N 682 115.196 115.196 112.276 2.920 19513
292 1 2 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.010 0.175 19513
293 1 2 . 1 1 682 682 ILE C C 682 174.317 174.317 176.505 -2.188 19513
294 1 2 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.984 0.220 19513
295 1 2 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.203 -0.308 19513
296 1 2 . 1 1 682 682 ILE H H 682 7.483 7.483 7.081 0.402 19513
297 1 3 . 1 1 658 658 LYS HA H 658 4.287 4.287 3.926 0.361 19513
298 1 3 . 1 1 658 658 LYS C C 658 175.629 175.629 175.355 0.274 19513
299 1 3 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.881 -0.236 19513
300 1 3 . 1 1 658 658 LYS CB C 658 32.996 32.996 31.495 1.501 19513
301 1 3 . 1 1 659 659 ASP N N 659 121.467 121.467 118.239 3.228 19513
302 1 3 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.608 -0.010 19513
303 1 3 . 1 1 659 659 ASP C C 659 176.474 176.474 176.490 -0.016 19513
304 1 3 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.811 0.410 19513
305 1 3 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.825 -0.496 19513
306 1 3 . 1 1 659 659 ASP H H 659 8.348 8.348 8.149 0.199 19513
307 1 3 . 1 1 660 660 LEU N N 660 123.085 123.085 120.270 2.815 19513
308 1 3 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.508 -0.294 19513
309 1 3 . 1 1 660 660 LEU C C 660 177.141 177.141 178.814 -1.673 19513
310 1 3 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.726 -0.226 19513
311 1 3 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.240 0.266 19513
312 1 3 . 1 1 660 660 LEU H H 660 8.501 8.501 8.192 0.309 19513
313 1 3 . 1 1 661 661 LEU N N 661 118.555 118.555 121.030 -2.475 19513
314 1 3 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.232 0.128 19513
315 1 3 . 1 1 661 661 LEU C C 661 176.318 176.318 177.348 -1.030 19513
316 1 3 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.703 -1.859 19513
317 1 3 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.501 0.324 19513
318 1 3 . 1 1 661 661 LEU H H 661 8.130 8.130 7.912 0.218 19513
319 1 3 . 1 1 662 662 ALA N N 662 122.853 122.853 120.839 2.014 19513
320 1 3 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.210 0.205 19513
321 1 3 . 1 1 662 662 ALA C C 662 177.941 177.941 178.523 -0.582 19513
322 1 3 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.436 -0.292 19513
323 1 3 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.635 1.711 19513
324 1 3 . 1 1 662 662 ALA H H 662 7.864 7.864 8.191 -0.327 19513
325 1 3 . 1 1 663 663 LEU N N 663 121.303 121.303 125.519 -4.216 19513
326 1 3 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.272 -0.073 19513
327 1 3 . 1 1 663 663 LEU C C 663 177.963 177.963 177.696 0.267 19513
328 1 3 . 1 1 663 663 LEU CA C 663 56.639 56.639 57.050 -0.411 19513
329 1 3 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.909 0.111 19513
330 1 3 . 1 1 663 663 LEU H H 663 8.314 8.314 8.260 0.054 19513
331 1 3 . 1 1 664 664 ASP N N 664 118.224 118.224 119.080 -0.856 19513
332 1 3 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.442 -0.001 19513
333 1 3 . 1 1 664 664 ASP C C 664 177.541 177.541 178.547 -1.006 19513
334 1 3 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.378 -1.061 19513
335 1 3 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.245 0.668 19513
336 1 3 . 1 1 664 664 ASP H H 664 8.448 8.448 8.742 -0.294 19513
337 1 3 . 1 1 665 665 SER N N 665 113.947 113.947 116.049 -2.102 19513
338 1 3 . 1 1 665 665 SER HA H 665 4.361 4.361 4.427 -0.066 19513
339 1 3 . 1 1 665 665 SER C C 665 175.562 175.562 175.526 0.036 19513
340 1 3 . 1 1 665 665 SER CA C 665 60.048 60.048 59.459 0.589 19513
341 1 3 . 1 1 665 665 SER CB C 665 63.503 63.503 63.360 0.143 19513
342 1 3 . 1 1 665 665 SER H H 665 7.921 7.921 7.820 0.101 19513
343 1 3 . 1 1 666 666 TRP N N 666 122.464 122.464 123.417 -0.953 19513
344 1 3 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.957 0.551 19513
345 1 3 . 1 1 666 666 TRP C C 666 177.118 177.118 177.077 0.041 19513
346 1 3 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.703 -1.867 19513
347 1 3 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.196 0.066 19513
348 1 3 . 1 1 666 666 TRP H H 666 8.048 8.048 7.808 0.240 19513
349 1 3 . 1 1 667 667 LYS N N 667 118.273 118.273 118.986 -0.713 19513
350 1 3 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.820 0.111 19513
351 1 3 . 1 1 667 667 LYS C C 667 178.186 178.186 178.617 -0.431 19513
352 1 3 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.677 -0.213 19513
353 1 3 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.401 0.943 19513
354 1 3 . 1 1 667 667 LYS H H 667 7.876 7.876 7.740 0.136 19513
355 1 3 . 1 1 668 668 ASN N N 668 116.883 116.883 118.014 -1.131 19513
356 1 3 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.557 0.080 19513
357 1 3 . 1 1 668 668 ASN C C 668 176.763 176.763 177.528 -0.765 19513
358 1 3 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.610 -0.806 19513
359 1 3 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.092 0.152 19513
360 1 3 . 1 1 668 668 ASN H H 668 8.117 8.117 7.785 0.332 19513
361 1 3 . 1 1 669 669 LEU N N 669 121.093 121.093 121.691 -0.598 19513
362 1 3 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.145 -0.140 19513
363 1 3 . 1 1 669 669 LEU C C 669 177.519 177.519 177.840 -0.321 19513
364 1 3 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.477 0.386 19513
365 1 3 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.874 0.352 19513
366 1 3 . 1 1 669 669 LEU H H 669 7.833 7.833 7.834 -0.001 19513
367 1 3 . 1 1 670 670 TRP N N 670 116.959 116.959 119.265 -2.306 19513
368 1 3 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.311 0.274 19513
369 1 3 . 1 1 670 670 TRP C C 670 177.496 177.496 179.030 -1.534 19513
370 1 3 . 1 1 670 670 TRP CA C 670 58.918 58.918 58.846 0.072 19513
371 1 3 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.611 0.039 19513
372 1 3 . 1 1 670 670 TRP H H 670 7.864 7.864 8.453 -0.589 19513
373 1 3 . 1 1 671 671 SER N N 671 113.455 113.455 114.532 -1.077 19513
374 1 3 . 1 1 671 671 SER HA H 671 4.253 4.253 4.427 -0.174 19513
375 1 3 . 1 1 671 671 SER C C 671 175.562 175.562 175.715 -0.153 19513
376 1 3 . 1 1 671 671 SER CA C 671 60.643 60.643 61.901 -1.258 19513
377 1 3 . 1 1 671 671 SER CB C 671 63.441 63.441 63.206 0.235 19513
378 1 3 . 1 1 671 671 SER H H 671 7.950 7.950 8.221 -0.271 19513
379 1 3 . 1 1 672 672 TRP N N 672 121.536 121.536 122.082 -0.546 19513
380 1 3 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.507 -0.046 19513
381 1 3 . 1 1 672 672 TRP C C 672 176.785 176.785 178.281 -1.496 19513
382 1 3 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.746 -1.586 19513
383 1 3 . 1 1 672 672 TRP CB C 672 29.455 29.455 29.878 -0.423 19513
384 1 3 . 1 1 672 672 TRP H H 672 7.895 7.895 7.826 0.069 19513
385 1 3 . 1 1 673 673 PHE N N 673 118.414 118.414 119.352 -0.938 19513
386 1 3 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.560 -0.279 19513
387 1 3 . 1 1 673 673 PHE C C 673 175.473 175.473 175.387 0.086 19513
388 1 3 . 1 1 673 673 PHE CA C 673 59.193 59.193 58.175 1.018 19513
389 1 3 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.146 2.229 19513
390 1 3 . 1 1 673 673 PHE H H 673 7.942 7.942 7.923 0.019 19513
391 1 3 . 1 1 674 674 SER N N 674 114.868 114.868 118.068 -3.200 19513
392 1 3 . 1 1 674 674 SER HA H 674 4.362 4.362 4.612 -0.250 19513
393 1 3 . 1 1 674 674 SER C C 674 175.273 175.273 175.388 -0.115 19513
394 1 3 . 1 1 674 674 SER CA C 674 58.612 58.612 57.573 1.039 19513
395 1 3 . 1 1 674 674 SER CB C 674 63.602 63.602 62.776 0.826 19513
396 1 3 . 1 1 674 674 SER H H 674 7.698 7.698 8.338 -0.640 19513
397 1 3 . 1 1 675 675 ILE N N 675 121.205 121.205 123.238 -2.033 19513
398 1 3 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.048 -0.079 19513
399 1 3 . 1 1 675 675 ILE C C 675 176.696 176.696 177.734 -1.038 19513
400 1 3 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.864 -1.005 19513
401 1 3 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.305 1.111 19513
402 1 3 . 1 1 675 675 ILE H H 675 8.067 8.067 7.381 0.686 19513
403 1 3 . 1 1 676 676 THR N N 676 113.871 113.871 113.458 0.413 19513
404 1 3 . 1 1 676 676 THR HA H 676 3.934 3.934 4.008 -0.074 19513
405 1 3 . 1 1 676 676 THR C C 676 175.384 175.384 176.517 -1.133 19513
406 1 3 . 1 1 676 676 THR CA C 676 64.588 64.588 66.096 -1.508 19513
407 1 3 . 1 1 676 676 THR CB C 676 68.930 68.930 68.772 0.158 19513
408 1 3 . 1 1 676 676 THR H H 676 7.819 7.819 8.607 -0.788 19513
409 1 3 . 1 1 677 677 ASN N N 677 119.341 119.341 118.454 0.887 19513
410 1 3 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.632 -0.065 19513
411 1 3 . 1 1 677 677 ASN C C 677 175.940 175.940 176.964 -1.024 19513
412 1 3 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.517 -0.963 19513
413 1 3 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.108 -0.987 19513
414 1 3 . 1 1 677 677 ASN H H 677 7.989 7.989 8.029 -0.040 19513
415 1 3 . 1 1 678 678 TRP N N 678 119.377 119.377 120.150 -0.773 19513
416 1 3 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.593 -0.002 19513
417 1 3 . 1 1 678 678 TRP C C 678 176.785 176.785 178.066 -1.281 19513
418 1 3 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.314 -0.618 19513
419 1 3 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.435 0.209 19513
420 1 3 . 1 1 678 678 TRP H H 678 7.792 7.792 8.164 -0.372 19513
421 1 3 . 1 1 679 679 LEU N N 679 117.934 117.934 120.017 -2.083 19513
422 1 3 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.162 0.832 19513
423 1 3 . 1 1 679 679 LEU C C 679 177.430 177.430 177.903 -0.473 19513
424 1 3 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.469 0.281 19513
425 1 3 . 1 1 679 679 LEU CB C 679 41.760 41.760 40.868 0.892 19513
426 1 3 . 1 1 679 679 LEU H H 679 7.752 7.752 8.276 -0.524 19513
427 1 3 . 1 1 680 680 TRP N N 680 117.268 117.268 119.356 -2.088 19513
428 1 3 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.281 0.065 19513
429 1 3 . 1 1 680 680 TRP C C 680 176.340 176.340 177.724 -1.384 19513
430 1 3 . 1 1 680 680 TRP CA C 680 58.835 58.835 61.330 -2.495 19513
431 1 3 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.438 -0.249 19513
432 1 3 . 1 1 680 680 TRP H H 680 7.543 7.543 7.508 0.035 19513
433 1 3 . 1 1 681 681 TYR N N 681 116.283 116.283 119.556 -3.273 19513
434 1 3 . 1 1 681 681 TYR HA H 681 4.170 4.170 4.337 -0.167 19513
435 1 3 . 1 1 681 681 TYR C C 681 175.607 175.607 176.345 -0.738 19513
436 1 3 . 1 1 681 681 TYR CA C 681 59.670 59.670 60.326 -0.656 19513
437 1 3 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.897 0.220 19513
438 1 3 . 1 1 681 681 TYR H H 681 7.473 7.473 7.696 -0.223 19513
439 1 3 . 1 1 682 682 ILE N N 682 115.196 115.196 112.512 2.684 19513
440 1 3 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.090 0.095 19513
441 1 3 . 1 1 682 682 ILE C C 682 174.317 174.317 176.601 -2.284 19513
442 1 3 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.934 0.270 19513
443 1 3 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.199 -0.304 19513
444 1 3 . 1 1 682 682 ILE H H 682 7.483 7.483 7.168 0.315 19513
445 1 4 . 1 1 658 658 LYS HA H 658 4.287 4.287 3.874 0.413 19513
446 1 4 . 1 1 658 658 LYS C C 658 175.629 175.629 174.881 0.748 19513
447 1 4 . 1 1 658 658 LYS CA C 658 56.645 56.645 57.306 -0.661 19513
448 1 4 . 1 1 658 658 LYS CB C 658 32.996 32.996 31.173 1.823 19513
449 1 4 . 1 1 659 659 ASP N N 659 121.467 121.467 118.551 2.916 19513
450 1 4 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.620 -0.022 19513
451 1 4 . 1 1 659 659 ASP C C 659 176.474 176.474 177.158 -0.684 19513
452 1 4 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.351 0.870 19513
453 1 4 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.746 -0.417 19513
454 1 4 . 1 1 659 659 ASP H H 659 8.348 8.348 7.782 0.566 19513
455 1 4 . 1 1 660 660 LEU N N 660 123.085 123.085 120.260 2.825 19513
456 1 4 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.427 -0.213 19513
457 1 4 . 1 1 660 660 LEU C C 660 177.141 177.141 179.277 -2.136 19513
458 1 4 . 1 1 660 660 LEU CA C 660 56.500 56.500 57.470 -0.970 19513
459 1 4 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.029 0.477 19513
460 1 4 . 1 1 660 660 LEU H H 660 8.501 8.501 8.326 0.175 19513
461 1 4 . 1 1 661 661 LEU N N 661 118.555 118.555 120.772 -2.217 19513
462 1 4 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.246 0.114 19513
463 1 4 . 1 1 661 661 LEU C C 661 176.318 176.318 177.335 -1.017 19513
464 1 4 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.697 -1.853 19513
465 1 4 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.505 0.320 19513
466 1 4 . 1 1 661 661 LEU H H 661 8.130 8.130 7.882 0.248 19513
467 1 4 . 1 1 662 662 ALA N N 662 122.853 122.853 120.989 1.864 19513
468 1 4 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.227 0.188 19513
469 1 4 . 1 1 662 662 ALA C C 662 177.941 177.941 178.698 -0.757 19513
470 1 4 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.556 -0.412 19513
471 1 4 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.647 1.699 19513
472 1 4 . 1 1 662 662 ALA H H 662 7.864 7.864 8.185 -0.321 19513
473 1 4 . 1 1 663 663 LEU N N 663 121.303 121.303 125.613 -4.310 19513
474 1 4 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.277 -0.078 19513
475 1 4 . 1 1 663 663 LEU C C 663 177.963 177.963 177.718 0.245 19513
476 1 4 . 1 1 663 663 LEU CA C 663 56.639 56.639 57.099 -0.460 19513
477 1 4 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.930 0.090 19513
478 1 4 . 1 1 663 663 LEU H H 663 8.314 8.314 8.281 0.033 19513
479 1 4 . 1 1 664 664 ASP N N 664 118.224 118.224 118.294 -0.070 19513
480 1 4 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.442 -0.001 19513
481 1 4 . 1 1 664 664 ASP C C 664 177.541 177.541 177.986 -0.445 19513
482 1 4 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.209 -0.892 19513
483 1 4 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.197 0.716 19513
484 1 4 . 1 1 664 664 ASP H H 664 8.448 8.448 8.522 -0.074 19513
485 1 4 . 1 1 665 665 SER N N 665 113.947 113.947 113.416 0.531 19513
486 1 4 . 1 1 665 665 SER HA H 665 4.361 4.361 4.533 -0.172 19513
487 1 4 . 1 1 665 665 SER C C 665 175.562 175.562 175.160 0.402 19513
488 1 4 . 1 1 665 665 SER CA C 665 60.048 60.048 58.573 1.475 19513
489 1 4 . 1 1 665 665 SER CB C 665 63.503 63.503 63.372 0.131 19513
490 1 4 . 1 1 665 665 SER H H 665 7.921 7.921 7.762 0.159 19513
491 1 4 . 1 1 666 666 TRP N N 666 122.464 122.464 123.362 -0.898 19513
492 1 4 . 1 1 666 666 TRP HA H 666 4.508 4.508 4.054 0.454 19513
493 1 4 . 1 1 666 666 TRP C C 666 177.118 177.118 177.420 -0.302 19513
494 1 4 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.463 -1.628 19513
495 1 4 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.052 0.209 19513
496 1 4 . 1 1 666 666 TRP H H 666 8.048 8.048 7.815 0.233 19513
497 1 4 . 1 1 667 667 LYS N N 667 118.273 118.273 119.118 -0.845 19513
498 1 4 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.878 0.053 19513
499 1 4 . 1 1 667 667 LYS C C 667 178.186 178.186 178.606 -0.420 19513
500 1 4 . 1 1 667 667 LYS CA C 667 59.464 59.464 60.349 -0.885 19513
501 1 4 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.908 0.436 19513
502 1 4 . 1 1 667 667 LYS H H 667 7.876 7.876 7.735 0.141 19513
503 1 4 . 1 1 668 668 ASN N N 668 116.883 116.883 117.060 -0.177 19513
504 1 4 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.506 0.131 19513
505 1 4 . 1 1 668 668 ASN C C 668 176.763 176.763 177.444 -0.681 19513
506 1 4 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.665 -0.861 19513
507 1 4 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.125 0.119 19513
508 1 4 . 1 1 668 668 ASN H H 668 8.117 8.117 7.855 0.262 19513
509 1 4 . 1 1 669 669 LEU N N 669 121.093 121.093 121.892 -0.799 19513
510 1 4 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.090 -0.085 19513
511 1 4 . 1 1 669 669 LEU C C 669 177.519 177.519 177.496 0.023 19513
512 1 4 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.054 0.809 19513
513 1 4 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.073 1.153 19513
514 1 4 . 1 1 669 669 LEU H H 669 7.833 7.833 7.736 0.097 19513
515 1 4 . 1 1 670 670 TRP N N 670 116.959 116.959 119.037 -2.078 19513
516 1 4 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.474 0.111 19513
517 1 4 . 1 1 670 670 TRP C C 670 177.496 177.496 178.208 -0.712 19513
518 1 4 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.185 -0.267 19513
519 1 4 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.548 0.102 19513
520 1 4 . 1 1 670 670 TRP H H 670 7.864 7.864 8.570 -0.706 19513
521 1 4 . 1 1 671 671 SER N N 671 113.455 113.455 111.912 1.543 19513
522 1 4 . 1 1 671 671 SER HA H 671 4.253 4.253 4.424 -0.171 19513
523 1 4 . 1 1 671 671 SER C C 671 175.562 175.562 175.616 -0.054 19513
524 1 4 . 1 1 671 671 SER CA C 671 60.643 60.643 61.282 -0.639 19513
525 1 4 . 1 1 671 671 SER CB C 671 63.441 63.441 63.452 -0.011 19513
526 1 4 . 1 1 671 671 SER H H 671 7.950 7.950 7.891 0.059 19513
527 1 4 . 1 1 672 672 TRP N N 672 121.536 121.536 121.204 0.332 19513
528 1 4 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.398 0.063 19513
529 1 4 . 1 1 672 672 TRP C C 672 176.785 176.785 177.467 -0.682 19513
530 1 4 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.309 -1.149 19513
531 1 4 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.053 -0.598 19513
532 1 4 . 1 1 672 672 TRP H H 672 7.895 7.895 7.556 0.339 19513
533 1 4 . 1 1 673 673 PHE N N 673 118.414 118.414 119.756 -1.342 19513
534 1 4 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.634 -0.353 19513
535 1 4 . 1 1 673 673 PHE C C 673 175.473 175.473 175.285 0.188 19513
536 1 4 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.410 1.783 19513
537 1 4 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.926 1.449 19513
538 1 4 . 1 1 673 673 PHE H H 673 7.942 7.942 8.058 -0.116 19513
539 1 4 . 1 1 674 674 SER N N 674 114.868 114.868 119.496 -4.628 19513
540 1 4 . 1 1 674 674 SER HA H 674 4.362 4.362 4.706 -0.344 19513
541 1 4 . 1 1 674 674 SER C C 674 175.273 175.273 175.539 -0.266 19513
542 1 4 . 1 1 674 674 SER CA C 674 58.612 58.612 57.318 1.294 19513
543 1 4 . 1 1 674 674 SER CB C 674 63.602 63.602 62.696 0.907 19513
544 1 4 . 1 1 674 674 SER H H 674 7.698 7.698 8.327 -0.629 19513
545 1 4 . 1 1 675 675 ILE N N 675 121.205 121.205 124.475 -3.270 19513
546 1 4 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.164 -0.195 19513
547 1 4 . 1 1 675 675 ILE C C 675 176.696 176.696 177.473 -0.777 19513
548 1 4 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.499 -0.640 19513
549 1 4 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.075 1.341 19513
550 1 4 . 1 1 675 675 ILE H H 675 8.067 8.067 7.668 0.399 19513
551 1 4 . 1 1 676 676 THR N N 676 113.871 113.871 112.055 1.816 19513
552 1 4 . 1 1 676 676 THR HA H 676 3.934 3.934 3.912 0.022 19513
553 1 4 . 1 1 676 676 THR C C 676 175.384 175.384 176.705 -1.321 19513
554 1 4 . 1 1 676 676 THR CA C 676 64.588 64.588 66.151 -1.563 19513
555 1 4 . 1 1 676 676 THR CB C 676 68.930 68.930 68.357 0.573 19513
556 1 4 . 1 1 676 676 THR H H 676 7.819 7.819 8.641 -0.822 19513
557 1 4 . 1 1 677 677 ASN N N 677 119.341 119.341 119.484 -0.143 19513
558 1 4 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.766 -0.199 19513
559 1 4 . 1 1 677 677 ASN C C 677 175.940 175.940 176.739 -0.799 19513
560 1 4 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.726 -1.172 19513
561 1 4 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.093 -0.972 19513
562 1 4 . 1 1 677 677 ASN H H 677 7.989 7.989 8.023 -0.034 19513
563 1 4 . 1 1 678 678 TRP N N 678 119.377 119.377 119.461 -0.084 19513
564 1 4 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.659 -0.068 19513
565 1 4 . 1 1 678 678 TRP C C 678 176.785 176.785 177.702 -0.917 19513
566 1 4 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.008 -0.312 19513
567 1 4 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.963 -0.319 19513
568 1 4 . 1 1 678 678 TRP H H 678 7.792 7.792 8.260 -0.468 19513
569 1 4 . 1 1 679 679 LEU N N 679 117.934 117.934 120.260 -2.326 19513
570 1 4 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.223 0.771 19513
571 1 4 . 1 1 679 679 LEU C C 679 177.430 177.430 177.652 -0.222 19513
572 1 4 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.423 0.327 19513
573 1 4 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.425 0.335 19513
574 1 4 . 1 1 679 679 LEU H H 679 7.752 7.752 8.445 -0.693 19513
575 1 4 . 1 1 680 680 TRP N N 680 117.268 117.268 120.950 -3.682 19513
576 1 4 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.270 0.076 19513
577 1 4 . 1 1 680 680 TRP C C 680 176.340 176.340 176.185 0.155 19513
578 1 4 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.475 -0.640 19513
579 1 4 . 1 1 680 680 TRP CB C 680 29.188 29.188 28.979 0.209 19513
580 1 4 . 1 1 680 680 TRP H H 680 7.543 7.543 7.815 -0.272 19513
581 1 4 . 1 1 681 681 TYR N N 681 116.283 116.283 121.077 -4.794 19513
582 1 4 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.392 0.778 19513
583 1 4 . 1 1 681 681 TYR C C 681 175.607 175.607 175.643 -0.036 19513
584 1 4 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.571 0.099 19513
585 1 4 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.691 0.426 19513
586 1 4 . 1 1 681 681 TYR H H 681 7.473 7.473 7.360 0.113 19513
587 1 4 . 1 1 682 682 ILE N N 682 115.196 115.196 112.382 2.814 19513
588 1 4 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.982 0.203 19513
589 1 4 . 1 1 682 682 ILE C C 682 174.317 174.317 176.423 -2.106 19513
590 1 4 . 1 1 682 682 ILE CA C 682 61.204 61.204 61.002 0.202 19513
591 1 4 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.159 -0.264 19513
592 1 4 . 1 1 682 682 ILE H H 682 7.483 7.483 7.029 0.454 19513
593 1 5 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.592 -0.305 19513
594 1 5 . 1 1 658 658 LYS C C 658 175.629 175.629 174.986 0.643 19513
595 1 5 . 1 1 658 658 LYS CA C 658 56.645 56.645 55.637 1.008 19513
596 1 5 . 1 1 658 658 LYS CB C 658 32.996 32.996 33.009 -0.013 19513
597 1 5 . 1 1 659 659 ASP N N 659 121.467 121.467 120.988 0.479 19513
598 1 5 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.623 -0.025 19513
599 1 5 . 1 1 659 659 ASP C C 659 176.474 176.474 176.699 -0.225 19513
600 1 5 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.777 0.444 19513
601 1 5 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.142 -0.812 19513
602 1 5 . 1 1 659 659 ASP H H 659 8.348 8.348 8.014 0.334 19513
603 1 5 . 1 1 660 660 LEU N N 660 123.085 123.085 120.259 2.826 19513
604 1 5 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.400 -0.186 19513
605 1 5 . 1 1 660 660 LEU C C 660 177.141 177.141 179.241 -2.100 19513
606 1 5 . 1 1 660 660 LEU CA C 660 56.500 56.500 57.251 -0.751 19513
607 1 5 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.081 0.425 19513
608 1 5 . 1 1 660 660 LEU H H 660 8.501 8.501 8.282 0.219 19513
609 1 5 . 1 1 661 661 LEU N N 661 118.555 118.555 120.809 -2.254 19513
610 1 5 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.240 0.120 19513
611 1 5 . 1 1 661 661 LEU C C 661 176.318 176.318 177.347 -1.029 19513
612 1 5 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.713 -1.869 19513
613 1 5 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.497 0.328 19513
614 1 5 . 1 1 661 661 LEU H H 661 8.130 8.130 7.904 0.226 19513
615 1 5 . 1 1 662 662 ALA N N 662 122.853 122.853 120.897 1.956 19513
616 1 5 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.284 0.131 19513
617 1 5 . 1 1 662 662 ALA C C 662 177.941 177.941 178.465 -0.524 19513
618 1 5 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.691 -0.548 19513
619 1 5 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.660 1.686 19513
620 1 5 . 1 1 662 662 ALA H H 662 7.864 7.864 8.104 -0.240 19513
621 1 5 . 1 1 663 663 LEU N N 663 121.303 121.303 125.966 -4.663 19513
622 1 5 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.279 -0.080 19513
623 1 5 . 1 1 663 663 LEU C C 663 177.963 177.963 178.135 -0.172 19513
624 1 5 . 1 1 663 663 LEU CA C 663 56.639 56.639 57.020 -0.381 19513
625 1 5 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.920 0.100 19513
626 1 5 . 1 1 663 663 LEU H H 663 8.314 8.314 8.320 -0.006 19513
627 1 5 . 1 1 664 664 ASP N N 664 118.224 118.224 119.137 -0.913 19513
628 1 5 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.463 -0.022 19513
629 1 5 . 1 1 664 664 ASP C C 664 177.541 177.541 177.809 -0.268 19513
630 1 5 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.989 -0.672 19513
631 1 5 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.708 0.205 19513
632 1 5 . 1 1 664 664 ASP H H 664 8.448 8.448 8.552 -0.104 19513
633 1 5 . 1 1 665 665 SER N N 665 113.947 113.947 113.748 0.199 19513
634 1 5 . 1 1 665 665 SER HA H 665 4.361 4.361 4.500 -0.139 19513
635 1 5 . 1 1 665 665 SER C C 665 175.562 175.562 175.846 -0.284 19513
636 1 5 . 1 1 665 665 SER CA C 665 60.048 60.048 59.812 0.236 19513
637 1 5 . 1 1 665 665 SER CB C 665 63.503 63.503 63.868 -0.366 19513
638 1 5 . 1 1 665 665 SER H H 665 7.921 7.921 7.833 0.088 19513
639 1 5 . 1 1 666 666 TRP N N 666 122.464 122.464 123.663 -1.199 19513
640 1 5 . 1 1 666 666 TRP HA H 666 4.508 4.508 4.035 0.473 19513
641 1 5 . 1 1 666 666 TRP C C 666 177.118 177.118 177.198 -0.080 19513
642 1 5 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.856 -2.021 19513
643 1 5 . 1 1 666 666 TRP CB C 666 29.262 29.262 28.909 0.353 19513
644 1 5 . 1 1 666 666 TRP H H 666 8.048 8.048 7.821 0.227 19513
645 1 5 . 1 1 667 667 LYS N N 667 118.273 118.273 118.503 -0.230 19513
646 1 5 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.881 0.050 19513
647 1 5 . 1 1 667 667 LYS C C 667 178.186 178.186 178.887 -0.701 19513
648 1 5 . 1 1 667 667 LYS CA C 667 59.464 59.464 60.023 -0.559 19513
649 1 5 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.783 0.561 19513
650 1 5 . 1 1 667 667 LYS H H 667 7.876 7.876 7.673 0.203 19513
651 1 5 . 1 1 668 668 ASN N N 668 116.883 116.883 117.132 -0.249 19513
652 1 5 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.579 0.058 19513
653 1 5 . 1 1 668 668 ASN C C 668 176.763 176.763 177.510 -0.747 19513
654 1 5 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.483 -0.678 19513
655 1 5 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.405 -0.161 19513
656 1 5 . 1 1 668 668 ASN H H 668 8.117 8.117 7.758 0.359 19513
657 1 5 . 1 1 669 669 LEU N N 669 121.093 121.093 121.491 -0.398 19513
658 1 5 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.140 -0.135 19513
659 1 5 . 1 1 669 669 LEU C C 669 177.519 177.519 177.954 -0.435 19513
660 1 5 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.436 0.427 19513
661 1 5 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.916 0.310 19513
662 1 5 . 1 1 669 669 LEU H H 669 7.833 7.833 7.796 0.037 19513
663 1 5 . 1 1 670 670 TRP N N 670 116.959 116.959 118.929 -1.970 19513
664 1 5 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.480 0.105 19513
665 1 5 . 1 1 670 670 TRP C C 670 177.496 177.496 178.147 -0.651 19513
666 1 5 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.343 -0.425 19513
667 1 5 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.737 -0.087 19513
668 1 5 . 1 1 670 670 TRP H H 670 7.864 7.864 8.409 -0.545 19513
669 1 5 . 1 1 671 671 SER N N 671 113.455 113.455 112.022 1.433 19513
670 1 5 . 1 1 671 671 SER HA H 671 4.253 4.253 4.450 -0.197 19513
671 1 5 . 1 1 671 671 SER C C 671 175.562 175.562 176.006 -0.444 19513
672 1 5 . 1 1 671 671 SER CA C 671 60.643 60.643 60.944 -0.301 19513
673 1 5 . 1 1 671 671 SER CB C 671 63.441 63.441 63.203 0.238 19513
674 1 5 . 1 1 671 671 SER H H 671 7.950 7.950 7.970 -0.020 19513
675 1 5 . 1 1 672 672 TRP N N 672 121.536 121.536 122.260 -0.724 19513
676 1 5 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.373 0.088 19513
677 1 5 . 1 1 672 672 TRP C C 672 176.785 176.785 176.969 -0.184 19513
678 1 5 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.685 -1.525 19513
679 1 5 . 1 1 672 672 TRP CB C 672 29.455 29.455 29.826 -0.371 19513
680 1 5 . 1 1 672 672 TRP H H 672 7.895 7.895 7.623 0.272 19513
681 1 5 . 1 1 673 673 PHE N N 673 118.414 118.414 119.090 -0.676 19513
682 1 5 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.664 -0.383 19513
683 1 5 . 1 1 673 673 PHE C C 673 175.473 175.473 176.429 -0.956 19513
684 1 5 . 1 1 673 673 PHE CA C 673 59.193 59.193 58.256 0.937 19513
685 1 5 . 1 1 673 673 PHE CB C 673 39.375 39.375 38.322 1.053 19513
686 1 5 . 1 1 673 673 PHE H H 673 7.942 7.942 8.198 -0.256 19513
687 1 5 . 1 1 674 674 SER N N 674 114.868 114.868 123.334 -8.466 19513
688 1 5 . 1 1 674 674 SER HA H 674 4.362 4.362 4.656 -0.294 19513
689 1 5 . 1 1 674 674 SER C C 674 175.273 175.273 175.201 0.072 19513
690 1 5 . 1 1 674 674 SER CA C 674 58.612 58.612 57.783 0.828 19513
691 1 5 . 1 1 674 674 SER CB C 674 63.602 63.602 62.360 1.242 19513
692 1 5 . 1 1 674 674 SER H H 674 7.698 7.698 8.736 -1.038 19513
693 1 5 . 1 1 675 675 ILE N N 675 121.205 121.205 124.142 -2.937 19513
694 1 5 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.163 -0.194 19513
695 1 5 . 1 1 675 675 ILE C C 675 176.696 176.696 177.595 -0.899 19513
696 1 5 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.968 -1.109 19513
697 1 5 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.160 1.256 19513
698 1 5 . 1 1 675 675 ILE H H 675 8.067 8.067 7.958 0.109 19513
699 1 5 . 1 1 676 676 THR N N 676 113.871 113.871 112.745 1.126 19513
700 1 5 . 1 1 676 676 THR HA H 676 3.934 3.934 3.938 -0.004 19513
701 1 5 . 1 1 676 676 THR C C 676 175.384 175.384 176.689 -1.305 19513
702 1 5 . 1 1 676 676 THR CA C 676 64.588 64.588 65.942 -1.354 19513
703 1 5 . 1 1 676 676 THR CB C 676 68.930 68.930 68.149 0.781 19513
704 1 5 . 1 1 676 676 THR H H 676 7.819 7.819 8.663 -0.844 19513
705 1 5 . 1 1 677 677 ASN N N 677 119.341 119.341 119.803 -0.462 19513
706 1 5 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.780 -0.213 19513
707 1 5 . 1 1 677 677 ASN C C 677 175.940 175.940 176.792 -0.852 19513
708 1 5 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.607 -1.053 19513
709 1 5 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.116 -0.995 19513
710 1 5 . 1 1 677 677 ASN H H 677 7.989 7.989 8.032 -0.043 19513
711 1 5 . 1 1 678 678 TRP N N 678 119.377 119.377 119.529 -0.152 19513
712 1 5 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.651 -0.060 19513
713 1 5 . 1 1 678 678 TRP C C 678 176.785 176.785 177.846 -1.061 19513
714 1 5 . 1 1 678 678 TRP CA C 678 58.696 58.696 58.960 -0.264 19513
715 1 5 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.819 -0.175 19513
716 1 5 . 1 1 678 678 TRP H H 678 7.792 7.792 8.185 -0.393 19513
717 1 5 . 1 1 679 679 LEU N N 679 117.934 117.934 120.169 -2.235 19513
718 1 5 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.131 0.863 19513
719 1 5 . 1 1 679 679 LEU C C 679 177.430 177.430 177.888 -0.458 19513
720 1 5 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.669 0.081 19513
721 1 5 . 1 1 679 679 LEU CB C 679 41.760 41.760 40.852 0.908 19513
722 1 5 . 1 1 679 679 LEU H H 679 7.752 7.752 8.503 -0.751 19513
723 1 5 . 1 1 680 680 TRP N N 680 117.268 117.268 119.701 -2.433 19513
724 1 5 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.276 0.070 19513
725 1 5 . 1 1 680 680 TRP C C 680 176.340 176.340 177.678 -1.338 19513
726 1 5 . 1 1 680 680 TRP CA C 680 58.835 58.835 60.662 -1.827 19513
727 1 5 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.499 -0.311 19513
728 1 5 . 1 1 680 680 TRP H H 680 7.543 7.543 7.863 -0.320 19513
729 1 5 . 1 1 681 681 TYR N N 681 116.283 116.283 119.232 -2.949 19513
730 1 5 . 1 1 681 681 TYR HA H 681 4.170 4.170 4.360 -0.190 19513
731 1 5 . 1 1 681 681 TYR C C 681 175.607 175.607 176.386 -0.779 19513
732 1 5 . 1 1 681 681 TYR CA C 681 59.670 59.670 60.692 -1.022 19513
733 1 5 . 1 1 681 681 TYR CB C 681 39.117 39.117 39.107 0.010 19513
734 1 5 . 1 1 681 681 TYR H H 681 7.473 7.473 7.757 -0.284 19513
735 1 5 . 1 1 682 682 ILE N N 682 115.196 115.196 113.021 2.175 19513
736 1 5 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.064 0.121 19513
737 1 5 . 1 1 682 682 ILE C C 682 174.317 174.317 176.165 -1.848 19513
738 1 5 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.827 0.377 19513
739 1 5 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.215 -0.320 19513
740 1 5 . 1 1 682 682 ILE H H 682 7.483 7.483 7.168 0.316 19513
741 1 6 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.532 -0.245 19513
742 1 6 . 1 1 658 658 LYS C C 658 175.629 175.629 175.261 0.368 19513
743 1 6 . 1 1 658 658 LYS CA C 658 56.645 56.645 55.546 1.099 19513
744 1 6 . 1 1 658 658 LYS CB C 658 32.996 32.996 33.390 -0.394 19513
745 1 6 . 1 1 659 659 ASP N N 659 121.467 121.467 120.436 1.031 19513
746 1 6 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.698 -0.100 19513
747 1 6 . 1 1 659 659 ASP C C 659 176.474 176.474 176.624 -0.150 19513
748 1 6 . 1 1 659 659 ASP CA C 659 54.221 54.221 54.015 0.206 19513
749 1 6 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.512 -1.183 19513
750 1 6 . 1 1 659 659 ASP H H 659 8.348 8.348 8.204 0.144 19513
751 1 6 . 1 1 660 660 LEU N N 660 123.085 123.085 120.241 2.844 19513
752 1 6 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.421 -0.207 19513
753 1 6 . 1 1 660 660 LEU C C 660 177.141 177.141 179.635 -2.494 19513
754 1 6 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.964 -0.464 19513
755 1 6 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.198 0.308 19513
756 1 6 . 1 1 660 660 LEU H H 660 8.501 8.501 8.411 0.090 19513
757 1 6 . 1 1 661 661 LEU N N 661 118.555 118.555 121.059 -2.504 19513
758 1 6 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.230 0.130 19513
759 1 6 . 1 1 661 661 LEU C C 661 176.318 176.318 177.351 -1.033 19513
760 1 6 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.756 -1.912 19513
761 1 6 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.484 0.341 19513
762 1 6 . 1 1 661 661 LEU H H 661 8.130 8.130 7.929 0.201 19513
763 1 6 . 1 1 662 662 ALA N N 662 122.853 122.853 121.150 1.703 19513
764 1 6 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.223 0.192 19513
765 1 6 . 1 1 662 662 ALA C C 662 177.941 177.941 178.629 -0.688 19513
766 1 6 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.612 -0.468 19513
767 1 6 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.482 1.864 19513
768 1 6 . 1 1 662 662 ALA H H 662 7.864 7.864 8.154 -0.290 19513
769 1 6 . 1 1 663 663 LEU N N 663 121.303 121.303 124.997 -3.694 19513
770 1 6 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.257 -0.058 19513
771 1 6 . 1 1 663 663 LEU C C 663 177.963 177.963 177.320 0.643 19513
772 1 6 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.914 -0.276 19513
773 1 6 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.929 0.091 19513
774 1 6 . 1 1 663 663 LEU H H 663 8.314 8.314 8.196 0.118 19513
775 1 6 . 1 1 664 664 ASP N N 664 118.224 118.224 116.856 1.368 19513
776 1 6 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.413 0.028 19513
777 1 6 . 1 1 664 664 ASP C C 664 177.541 177.541 177.403 0.138 19513
778 1 6 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.676 -0.359 19513
779 1 6 . 1 1 664 664 ASP CB C 664 40.913 40.913 39.938 0.975 19513
780 1 6 . 1 1 664 664 ASP H H 664 8.448 8.448 8.569 -0.121 19513
781 1 6 . 1 1 665 665 SER N N 665 113.947 113.947 112.251 1.696 19513
782 1 6 . 1 1 665 665 SER HA H 665 4.361 4.361 4.496 -0.135 19513
783 1 6 . 1 1 665 665 SER C C 665 175.562 175.562 175.785 -0.223 19513
784 1 6 . 1 1 665 665 SER CA C 665 60.048 60.048 59.315 0.733 19513
785 1 6 . 1 1 665 665 SER CB C 665 63.503 63.503 63.610 -0.107 19513
786 1 6 . 1 1 665 665 SER H H 665 7.921 7.921 7.681 0.240 19513
787 1 6 . 1 1 666 666 TRP N N 666 122.464 122.464 124.020 -1.556 19513
788 1 6 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.984 0.524 19513
789 1 6 . 1 1 666 666 TRP C C 666 177.118 177.118 177.364 -0.246 19513
790 1 6 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.538 -1.703 19513
791 1 6 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.307 -0.045 19513
792 1 6 . 1 1 666 666 TRP H H 666 8.048 8.048 7.747 0.301 19513
793 1 6 . 1 1 667 667 LYS N N 667 118.273 118.273 118.641 -0.368 19513
794 1 6 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.800 0.131 19513
795 1 6 . 1 1 667 667 LYS C C 667 178.186 178.186 178.520 -0.334 19513
796 1 6 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.710 -0.246 19513
797 1 6 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.381 0.963 19513
798 1 6 . 1 1 667 667 LYS H H 667 7.876 7.876 7.826 0.050 19513
799 1 6 . 1 1 668 668 ASN N N 668 116.883 116.883 117.552 -0.669 19513
800 1 6 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.563 0.074 19513
801 1 6 . 1 1 668 668 ASN C C 668 176.763 176.763 177.543 -0.780 19513
802 1 6 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.349 -0.545 19513
803 1 6 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.495 -0.251 19513
804 1 6 . 1 1 668 668 ASN H H 668 8.117 8.117 7.734 0.383 19513
805 1 6 . 1 1 669 669 LEU N N 669 121.093 121.093 121.499 -0.406 19513
806 1 6 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.099 -0.094 19513
807 1 6 . 1 1 669 669 LEU C C 669 177.519 177.519 177.800 -0.281 19513
808 1 6 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.340 0.523 19513
809 1 6 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.909 0.317 19513
810 1 6 . 1 1 669 669 LEU H H 669 7.833 7.833 7.889 -0.056 19513
811 1 6 . 1 1 670 670 TRP N N 670 116.959 116.959 119.098 -2.139 19513
812 1 6 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.325 0.260 19513
813 1 6 . 1 1 670 670 TRP C C 670 177.496 177.496 179.222 -1.726 19513
814 1 6 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.081 -0.163 19513
815 1 6 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.626 0.024 19513
816 1 6 . 1 1 670 670 TRP H H 670 7.864 7.864 8.470 -0.606 19513
817 1 6 . 1 1 671 671 SER N N 671 113.455 113.455 114.210 -0.755 19513
818 1 6 . 1 1 671 671 SER HA H 671 4.253 4.253 4.412 -0.159 19513
819 1 6 . 1 1 671 671 SER C C 671 175.562 175.562 175.923 -0.361 19513
820 1 6 . 1 1 671 671 SER CA C 671 60.643 60.643 60.837 -0.195 19513
821 1 6 . 1 1 671 671 SER CB C 671 63.441 63.441 63.017 0.424 19513
822 1 6 . 1 1 671 671 SER H H 671 7.950 7.950 8.165 -0.215 19513
823 1 6 . 1 1 672 672 TRP N N 672 121.536 121.536 120.964 0.572 19513
824 1 6 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.500 -0.039 19513
825 1 6 . 1 1 672 672 TRP C C 672 176.785 176.785 177.846 -1.061 19513
826 1 6 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.142 -0.983 19513
827 1 6 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.013 -0.558 19513
828 1 6 . 1 1 672 672 TRP H H 672 7.895 7.895 7.726 0.169 19513
829 1 6 . 1 1 673 673 PHE N N 673 118.414 118.414 119.034 -0.620 19513
830 1 6 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.634 -0.353 19513
831 1 6 . 1 1 673 673 PHE C C 673 175.473 175.473 175.453 0.020 19513
832 1 6 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.805 1.388 19513
833 1 6 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.439 1.936 19513
834 1 6 . 1 1 673 673 PHE H H 673 7.942 7.942 7.854 0.088 19513
835 1 6 . 1 1 674 674 SER N N 674 114.868 114.868 117.580 -2.712 19513
836 1 6 . 1 1 674 674 SER HA H 674 4.362 4.362 4.657 -0.295 19513
837 1 6 . 1 1 674 674 SER C C 674 175.273 175.273 175.503 -0.230 19513
838 1 6 . 1 1 674 674 SER CA C 674 58.612 58.612 56.379 2.233 19513
839 1 6 . 1 1 674 674 SER CB C 674 63.602 63.602 62.444 1.158 19513
840 1 6 . 1 1 674 674 SER H H 674 7.698 7.698 7.907 -0.209 19513
841 1 6 . 1 1 675 675 ILE N N 675 121.205 121.205 122.505 -1.300 19513
842 1 6 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.077 -0.108 19513
843 1 6 . 1 1 675 675 ILE C C 675 176.696 176.696 177.799 -1.103 19513
844 1 6 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.576 -0.717 19513
845 1 6 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.387 1.029 19513
846 1 6 . 1 1 675 675 ILE H H 675 8.067 8.067 7.440 0.627 19513
847 1 6 . 1 1 676 676 THR N N 676 113.871 113.871 111.847 2.024 19513
848 1 6 . 1 1 676 676 THR HA H 676 3.934 3.934 3.923 0.011 19513
849 1 6 . 1 1 676 676 THR C C 676 175.384 175.384 176.682 -1.298 19513
850 1 6 . 1 1 676 676 THR CA C 676 64.588 64.588 66.079 -1.491 19513
851 1 6 . 1 1 676 676 THR CB C 676 68.930 68.930 68.396 0.534 19513
852 1 6 . 1 1 676 676 THR H H 676 7.819 7.819 8.609 -0.790 19513
853 1 6 . 1 1 677 677 ASN N N 677 119.341 119.341 119.493 -0.152 19513
854 1 6 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.760 -0.193 19513
855 1 6 . 1 1 677 677 ASN C C 677 175.940 175.940 176.747 -0.807 19513
856 1 6 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.543 -0.989 19513
857 1 6 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.048 -0.927 19513
858 1 6 . 1 1 677 677 ASN H H 677 7.989 7.989 8.082 -0.093 19513
859 1 6 . 1 1 678 678 TRP N N 678 119.377 119.377 119.480 -0.103 19513
860 1 6 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.619 -0.028 19513
861 1 6 . 1 1 678 678 TRP C C 678 176.785 176.785 177.735 -0.950 19513
862 1 6 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.018 -0.322 19513
863 1 6 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.810 -0.166 19513
864 1 6 . 1 1 678 678 TRP H H 678 7.792 7.792 8.211 -0.419 19513
865 1 6 . 1 1 679 679 LEU N N 679 117.934 117.934 120.159 -2.225 19513
866 1 6 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.209 0.785 19513
867 1 6 . 1 1 679 679 LEU C C 679 177.430 177.430 177.662 -0.232 19513
868 1 6 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.374 0.376 19513
869 1 6 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.390 0.370 19513
870 1 6 . 1 1 679 679 LEU H H 679 7.752 7.752 8.383 -0.631 19513
871 1 6 . 1 1 680 680 TRP N N 680 117.268 117.268 120.890 -3.622 19513
872 1 6 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.268 0.078 19513
873 1 6 . 1 1 680 680 TRP C C 680 176.340 176.340 176.180 0.160 19513
874 1 6 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.435 -0.600 19513
875 1 6 . 1 1 680 680 TRP CB C 680 29.188 29.188 28.968 0.220 19513
876 1 6 . 1 1 680 680 TRP H H 680 7.543 7.543 7.700 -0.157 19513
877 1 6 . 1 1 681 681 TYR N N 681 116.283 116.283 121.083 -4.800 19513
878 1 6 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.377 0.793 19513
879 1 6 . 1 1 681 681 TYR C C 681 175.607 175.607 175.647 -0.040 19513
880 1 6 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.590 0.080 19513
881 1 6 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.671 0.446 19513
882 1 6 . 1 1 681 681 TYR H H 681 7.473 7.473 7.350 0.123 19513
883 1 6 . 1 1 682 682 ILE N N 682 115.196 115.196 112.303 2.893 19513
884 1 6 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.015 0.170 19513
885 1 6 . 1 1 682 682 ILE C C 682 174.317 174.317 176.547 -2.230 19513
886 1 6 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.975 0.229 19513
887 1 6 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.262 -0.367 19513
888 1 6 . 1 1 682 682 ILE H H 682 7.483 7.483 7.006 0.477 19513
889 1 7 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.194 0.093 19513
890 1 7 . 1 1 658 658 LYS C C 658 175.629 175.629 175.833 -0.204 19513
891 1 7 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.657 -0.012 19513
892 1 7 . 1 1 658 658 LYS CB C 658 32.996 32.996 31.978 1.018 19513
893 1 7 . 1 1 659 659 ASP N N 659 121.467 121.467 125.283 -3.816 19513
894 1 7 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.608 -0.010 19513
895 1 7 . 1 1 659 659 ASP C C 659 176.474 176.474 176.383 0.091 19513
896 1 7 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.662 0.559 19513
897 1 7 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.045 -0.716 19513
898 1 7 . 1 1 659 659 ASP H H 659 8.348 8.348 8.413 -0.065 19513
899 1 7 . 1 1 660 660 LEU N N 660 123.085 123.085 119.922 3.163 19513
900 1 7 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.534 -0.320 19513
901 1 7 . 1 1 660 660 LEU C C 660 177.141 177.141 178.851 -1.710 19513
902 1 7 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.688 -0.188 19513
903 1 7 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.248 0.258 19513
904 1 7 . 1 1 660 660 LEU H H 660 8.501 8.501 8.177 0.324 19513
905 1 7 . 1 1 661 661 LEU N N 661 118.555 118.555 120.680 -2.125 19513
906 1 7 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.132 0.228 19513
907 1 7 . 1 1 661 661 LEU C C 661 176.318 176.318 176.909 -0.591 19513
908 1 7 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.666 -1.822 19513
909 1 7 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.966 -0.141 19513
910 1 7 . 1 1 661 661 LEU H H 661 8.130 8.130 7.807 0.323 19513
911 1 7 . 1 1 662 662 ALA N N 662 122.853 122.853 120.505 2.348 19513
912 1 7 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.157 0.258 19513
913 1 7 . 1 1 662 662 ALA C C 662 177.941 177.941 178.071 -0.130 19513
914 1 7 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.431 -0.287 19513
915 1 7 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.558 1.788 19513
916 1 7 . 1 1 662 662 ALA H H 662 7.864 7.864 7.858 0.006 19513
917 1 7 . 1 1 663 663 LEU N N 663 121.303 121.303 125.044 -3.741 19513
918 1 7 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.277 -0.078 19513
919 1 7 . 1 1 663 663 LEU C C 663 177.963 177.963 177.389 0.574 19513
920 1 7 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.969 -0.331 19513
921 1 7 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.925 0.095 19513
922 1 7 . 1 1 663 663 LEU H H 663 8.314 8.314 8.193 0.121 19513
923 1 7 . 1 1 664 664 ASP N N 664 118.224 118.224 117.390 0.834 19513
924 1 7 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.433 0.008 19513
925 1 7 . 1 1 664 664 ASP C C 664 177.541 177.541 178.569 -1.028 19513
926 1 7 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.921 -0.604 19513
927 1 7 . 1 1 664 664 ASP CB C 664 40.913 40.913 39.904 1.008 19513
928 1 7 . 1 1 664 664 ASP H H 664 8.448 8.448 8.581 -0.133 19513
929 1 7 . 1 1 665 665 SER N N 665 113.947 113.947 115.478 -1.531 19513
930 1 7 . 1 1 665 665 SER HA H 665 4.361 4.361 4.469 -0.108 19513
931 1 7 . 1 1 665 665 SER C C 665 175.562 175.562 175.121 0.441 19513
932 1 7 . 1 1 665 665 SER CA C 665 60.048 60.048 60.118 -0.070 19513
933 1 7 . 1 1 665 665 SER CB C 665 63.503 63.503 63.222 0.281 19513
934 1 7 . 1 1 665 665 SER H H 665 7.921 7.921 7.897 0.024 19513
935 1 7 . 1 1 666 666 TRP N N 666 122.464 122.464 123.242 -0.778 19513
936 1 7 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.984 0.524 19513
937 1 7 . 1 1 666 666 TRP C C 666 177.118 177.118 177.095 0.023 19513
938 1 7 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.598 -1.763 19513
939 1 7 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.260 0.002 19513
940 1 7 . 1 1 666 666 TRP H H 666 8.048 8.048 7.798 0.250 19513
941 1 7 . 1 1 667 667 LYS N N 667 118.273 118.273 119.206 -0.933 19513
942 1 7 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.870 0.061 19513
943 1 7 . 1 1 667 667 LYS C C 667 178.186 178.186 178.709 -0.523 19513
944 1 7 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.759 -0.295 19513
945 1 7 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.409 0.935 19513
946 1 7 . 1 1 667 667 LYS H H 667 7.876 7.876 7.804 0.072 19513
947 1 7 . 1 1 668 668 ASN N N 668 116.883 116.883 118.045 -1.162 19513
948 1 7 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.567 0.070 19513
949 1 7 . 1 1 668 668 ASN C C 668 176.763 176.763 177.607 -0.844 19513
950 1 7 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.883 -1.079 19513
951 1 7 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.410 -0.166 19513
952 1 7 . 1 1 668 668 ASN H H 668 8.117 8.117 7.812 0.305 19513
953 1 7 . 1 1 669 669 LEU N N 669 121.093 121.093 121.860 -0.767 19513
954 1 7 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.165 -0.160 19513
955 1 7 . 1 1 669 669 LEU C C 669 177.519 177.519 177.858 -0.339 19513
956 1 7 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.464 0.399 19513
957 1 7 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.942 0.284 19513
958 1 7 . 1 1 669 669 LEU H H 669 7.833 7.833 7.862 -0.029 19513
959 1 7 . 1 1 670 670 TRP N N 670 116.959 116.959 119.127 -2.168 19513
960 1 7 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.444 0.141 19513
961 1 7 . 1 1 670 670 TRP C C 670 177.496 177.496 178.297 -0.801 19513
962 1 7 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.273 -0.355 19513
963 1 7 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.746 -0.096 19513
964 1 7 . 1 1 670 670 TRP H H 670 7.864 7.864 8.432 -0.568 19513
965 1 7 . 1 1 671 671 SER N N 671 113.455 113.455 112.122 1.333 19513
966 1 7 . 1 1 671 671 SER HA H 671 4.253 4.253 4.404 -0.151 19513
967 1 7 . 1 1 671 671 SER C C 671 175.562 175.562 175.764 -0.202 19513
968 1 7 . 1 1 671 671 SER CA C 671 60.643 60.643 60.765 -0.122 19513
969 1 7 . 1 1 671 671 SER CB C 671 63.441 63.441 63.275 0.166 19513
970 1 7 . 1 1 671 671 SER H H 671 7.950 7.950 7.948 0.002 19513
971 1 7 . 1 1 672 672 TRP N N 672 121.536 121.536 120.611 0.925 19513
972 1 7 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.443 0.018 19513
973 1 7 . 1 1 672 672 TRP C C 672 176.785 176.785 177.449 -0.664 19513
974 1 7 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.309 -1.149 19513
975 1 7 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.338 -0.883 19513
976 1 7 . 1 1 672 672 TRP H H 672 7.895 7.895 7.590 0.305 19513
977 1 7 . 1 1 673 673 PHE N N 673 118.414 118.414 118.820 -0.406 19513
978 1 7 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.656 -0.375 19513
979 1 7 . 1 1 673 673 PHE C C 673 175.473 175.473 176.721 -1.248 19513
980 1 7 . 1 1 673 673 PHE CA C 673 59.193 59.193 58.488 0.705 19513
981 1 7 . 1 1 673 673 PHE CB C 673 39.375 39.375 39.090 0.285 19513
982 1 7 . 1 1 673 673 PHE H H 673 7.942 7.942 8.400 -0.458 19513
983 1 7 . 1 1 674 674 SER N N 674 114.868 114.868 122.717 -7.849 19513
984 1 7 . 1 1 674 674 SER HA H 674 4.362 4.362 4.584 -0.222 19513
985 1 7 . 1 1 674 674 SER C C 674 175.273 175.273 175.390 -0.117 19513
986 1 7 . 1 1 674 674 SER CA C 674 58.612 58.612 57.056 1.556 19513
987 1 7 . 1 1 674 674 SER CB C 674 63.602 63.602 61.985 1.617 19513
988 1 7 . 1 1 674 674 SER H H 674 7.698 7.698 8.863 -1.165 19513
989 1 7 . 1 1 675 675 ILE N N 675 121.205 121.205 124.140 -2.935 19513
990 1 7 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.194 -0.225 19513
991 1 7 . 1 1 675 675 ILE C C 675 176.696 176.696 177.307 -0.611 19513
992 1 7 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.412 -0.553 19513
993 1 7 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.254 1.162 19513
994 1 7 . 1 1 675 675 ILE H H 675 8.067 8.067 8.313 -0.246 19513
995 1 7 . 1 1 676 676 THR N N 676 113.871 113.871 114.204 -0.333 19513
996 1 7 . 1 1 676 676 THR HA H 676 3.934 3.934 3.929 0.005 19513
997 1 7 . 1 1 676 676 THR C C 676 175.384 175.384 176.777 -1.393 19513
998 1 7 . 1 1 676 676 THR CA C 676 64.588 64.588 66.121 -1.533 19513
999 1 7 . 1 1 676 676 THR CB C 676 68.930 68.930 68.380 0.550 19513
1000 1 7 . 1 1 676 676 THR H H 676 7.819 7.819 8.570 -0.751 19513
1001 1 7 . 1 1 677 677 ASN N N 677 119.341 119.341 119.529 -0.188 19513
1002 1 7 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.752 -0.185 19513
1003 1 7 . 1 1 677 677 ASN C C 677 175.940 175.940 176.939 -0.999 19513
1004 1 7 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.810 -1.256 19513
1005 1 7 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.935 -0.814 19513
1006 1 7 . 1 1 677 677 ASN H H 677 7.989 7.989 8.102 -0.113 19513
1007 1 7 . 1 1 678 678 TRP N N 678 119.377 119.377 119.367 0.010 19513
1008 1 7 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.663 -0.072 19513
1009 1 7 . 1 1 678 678 TRP C C 678 176.785 176.785 177.682 -0.897 19513
1010 1 7 . 1 1 678 678 TRP CA C 678 58.696 58.696 58.943 -0.247 19513
1011 1 7 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.949 -0.305 19513
1012 1 7 . 1 1 678 678 TRP H H 678 7.792 7.792 8.273 -0.481 19513
1013 1 7 . 1 1 679 679 LEU N N 679 117.934 117.934 120.320 -2.386 19513
1014 1 7 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.226 0.768 19513
1015 1 7 . 1 1 679 679 LEU C C 679 177.430 177.430 177.655 -0.225 19513
1016 1 7 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.431 0.319 19513
1017 1 7 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.419 0.341 19513
1018 1 7 . 1 1 679 679 LEU H H 679 7.752 7.752 8.467 -0.715 19513
1019 1 7 . 1 1 680 680 TRP N N 680 117.268 117.268 120.323 -3.055 19513
1020 1 7 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.292 0.054 19513
1021 1 7 . 1 1 680 680 TRP C C 680 176.340 176.340 176.477 -0.137 19513
1022 1 7 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.634 -0.799 19513
1023 1 7 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.137 0.051 19513
1024 1 7 . 1 1 680 680 TRP H H 680 7.543 7.543 7.862 -0.319 19513
1025 1 7 . 1 1 681 681 TYR N N 681 116.283 116.283 121.027 -4.744 19513
1026 1 7 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.376 0.794 19513
1027 1 7 . 1 1 681 681 TYR C C 681 175.607 175.607 175.689 -0.082 19513
1028 1 7 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.634 0.036 19513
1029 1 7 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.744 0.373 19513
1030 1 7 . 1 1 681 681 TYR H H 681 7.473 7.473 7.346 0.127 19513
1031 1 7 . 1 1 682 682 ILE N N 682 115.196 115.196 112.333 2.863 19513
1032 1 7 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.055 0.130 19513
1033 1 7 . 1 1 682 682 ILE C C 682 174.317 174.317 176.494 -2.177 19513
1034 1 7 . 1 1 682 682 ILE CA C 682 61.204 61.204 61.046 0.158 19513
1035 1 7 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.222 -0.327 19513
1036 1 7 . 1 1 682 682 ILE H H 682 7.483 7.483 7.096 0.387 19513
1037 1 8 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.604 -0.317 19513
1038 1 8 . 1 1 658 658 LYS C C 658 175.629 175.629 175.277 0.352 19513
1039 1 8 . 1 1 658 658 LYS CA C 658 56.645 56.645 55.352 1.293 19513
1040 1 8 . 1 1 658 658 LYS CB C 658 32.996 32.996 34.054 -1.058 19513
1041 1 8 . 1 1 659 659 ASP N N 659 121.467 121.467 120.570 0.897 19513
1042 1 8 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.719 -0.121 19513
1043 1 8 . 1 1 659 659 ASP C C 659 176.474 176.474 176.740 -0.266 19513
1044 1 8 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.936 0.285 19513
1045 1 8 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.934 -0.605 19513
1046 1 8 . 1 1 659 659 ASP H H 659 8.348 8.348 8.367 -0.019 19513
1047 1 8 . 1 1 660 660 LEU N N 660 123.085 123.085 120.362 2.723 19513
1048 1 8 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.340 -0.126 19513
1049 1 8 . 1 1 660 660 LEU C C 660 177.141 177.141 179.300 -2.159 19513
1050 1 8 . 1 1 660 660 LEU CA C 660 56.500 56.500 57.039 -0.539 19513
1051 1 8 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.193 0.313 19513
1052 1 8 . 1 1 660 660 LEU H H 660 8.501 8.501 8.292 0.209 19513
1053 1 8 . 1 1 661 661 LEU N N 661 118.555 118.555 120.860 -2.305 19513
1054 1 8 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.210 0.150 19513
1055 1 8 . 1 1 661 661 LEU C C 661 176.318 176.318 177.373 -1.055 19513
1056 1 8 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.805 -1.961 19513
1057 1 8 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.450 0.375 19513
1058 1 8 . 1 1 661 661 LEU H H 661 8.130 8.130 7.947 0.183 19513
1059 1 8 . 1 1 662 662 ALA N N 662 122.853 122.853 120.777 2.076 19513
1060 1 8 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.196 0.219 19513
1061 1 8 . 1 1 662 662 ALA C C 662 177.941 177.941 178.716 -0.775 19513
1062 1 8 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.589 -0.445 19513
1063 1 8 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.658 1.688 19513
1064 1 8 . 1 1 662 662 ALA H H 662 7.864 7.864 8.183 -0.319 19513
1065 1 8 . 1 1 663 663 LEU N N 663 121.303 121.303 125.978 -4.675 19513
1066 1 8 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.278 -0.079 19513
1067 1 8 . 1 1 663 663 LEU C C 663 177.963 177.963 177.705 0.258 19513
1068 1 8 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.990 -0.351 19513
1069 1 8 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.911 0.109 19513
1070 1 8 . 1 1 663 663 LEU H H 663 8.314 8.314 8.330 -0.016 19513
1071 1 8 . 1 1 664 664 ASP N N 664 118.224 118.224 118.657 -0.433 19513
1072 1 8 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.448 -0.007 19513
1073 1 8 . 1 1 664 664 ASP C C 664 177.541 177.541 178.038 -0.497 19513
1074 1 8 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.052 -0.735 19513
1075 1 8 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.216 0.697 19513
1076 1 8 . 1 1 664 664 ASP H H 664 8.448 8.448 8.456 -0.008 19513
1077 1 8 . 1 1 665 665 SER N N 665 113.947 113.947 113.577 0.370 19513
1078 1 8 . 1 1 665 665 SER HA H 665 4.361 4.361 4.478 -0.117 19513
1079 1 8 . 1 1 665 665 SER C C 665 175.562 175.562 175.815 -0.253 19513
1080 1 8 . 1 1 665 665 SER CA C 665 60.048 60.048 59.176 0.872 19513
1081 1 8 . 1 1 665 665 SER CB C 665 63.503 63.503 63.667 -0.164 19513
1082 1 8 . 1 1 665 665 SER H H 665 7.921 7.921 7.762 0.159 19513
1083 1 8 . 1 1 666 666 TRP N N 666 122.464 122.464 123.504 -1.040 19513
1084 1 8 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.990 0.518 19513
1085 1 8 . 1 1 666 666 TRP C C 666 177.118 177.118 177.172 -0.054 19513
1086 1 8 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.460 -1.625 19513
1087 1 8 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.129 0.133 19513
1088 1 8 . 1 1 666 666 TRP H H 666 8.048 8.048 7.762 0.286 19513
1089 1 8 . 1 1 667 667 LYS N N 667 118.273 118.273 119.212 -0.939 19513
1090 1 8 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.813 0.118 19513
1091 1 8 . 1 1 667 667 LYS C C 667 178.186 178.186 178.694 -0.508 19513
1092 1 8 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.694 -0.230 19513
1093 1 8 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.390 0.954 19513
1094 1 8 . 1 1 667 667 LYS H H 667 7.876 7.876 7.772 0.104 19513
1095 1 8 . 1 1 668 668 ASN N N 668 116.883 116.883 118.136 -1.253 19513
1096 1 8 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.573 0.064 19513
1097 1 8 . 1 1 668 668 ASN C C 668 176.763 176.763 177.534 -0.771 19513
1098 1 8 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.485 -0.681 19513
1099 1 8 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.348 -0.104 19513
1100 1 8 . 1 1 668 668 ASN H H 668 8.117 8.117 7.754 0.363 19513
1101 1 8 . 1 1 669 669 LEU N N 669 121.093 121.093 121.573 -0.480 19513
1102 1 8 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.167 -0.162 19513
1103 1 8 . 1 1 669 669 LEU C C 669 177.519 177.519 178.126 -0.607 19513
1104 1 8 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.330 0.533 19513
1105 1 8 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.959 0.267 19513
1106 1 8 . 1 1 669 669 LEU H H 669 7.833 7.833 7.836 -0.003 19513
1107 1 8 . 1 1 670 670 TRP N N 670 116.959 116.959 119.208 -2.249 19513
1108 1 8 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.363 0.222 19513
1109 1 8 . 1 1 670 670 TRP C C 670 177.496 177.496 178.796 -1.300 19513
1110 1 8 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.121 -0.203 19513
1111 1 8 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.634 0.015 19513
1112 1 8 . 1 1 670 670 TRP H H 670 7.864 7.864 8.474 -0.610 19513
1113 1 8 . 1 1 671 671 SER N N 671 113.455 113.455 113.483 -0.028 19513
1114 1 8 . 1 1 671 671 SER HA H 671 4.253 4.253 4.445 -0.192 19513
1115 1 8 . 1 1 671 671 SER C C 671 175.562 175.562 175.982 -0.420 19513
1116 1 8 . 1 1 671 671 SER CA C 671 60.643 60.643 60.570 0.073 19513
1117 1 8 . 1 1 671 671 SER CB C 671 63.441 63.441 63.078 0.363 19513
1118 1 8 . 1 1 671 671 SER H H 671 7.950 7.950 8.135 -0.185 19513
1119 1 8 . 1 1 672 672 TRP N N 672 121.536 121.536 122.036 -0.500 19513
1120 1 8 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.485 -0.024 19513
1121 1 8 . 1 1 672 672 TRP C C 672 176.785 176.785 177.076 -0.291 19513
1122 1 8 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.134 -0.974 19513
1123 1 8 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.118 -0.663 19513
1124 1 8 . 1 1 672 672 TRP H H 672 7.895 7.895 7.734 0.161 19513
1125 1 8 . 1 1 673 673 PHE N N 673 118.414 118.414 118.958 -0.544 19513
1126 1 8 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.546 -0.265 19513
1127 1 8 . 1 1 673 673 PHE C C 673 175.473 175.473 175.683 -0.210 19513
1128 1 8 . 1 1 673 673 PHE CA C 673 59.193 59.193 58.459 0.734 19513
1129 1 8 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.274 2.101 19513
1130 1 8 . 1 1 673 673 PHE H H 673 7.942 7.942 7.870 0.072 19513
1131 1 8 . 1 1 674 674 SER N N 674 114.868 114.868 117.821 -2.953 19513
1132 1 8 . 1 1 674 674 SER HA H 674 4.362 4.362 4.646 -0.284 19513
1133 1 8 . 1 1 674 674 SER C C 674 175.273 175.273 175.433 -0.160 19513
1134 1 8 . 1 1 674 674 SER CA C 674 58.612 58.612 56.433 2.179 19513
1135 1 8 . 1 1 674 674 SER CB C 674 63.602 63.602 62.442 1.160 19513
1136 1 8 . 1 1 674 674 SER H H 674 7.698 7.698 8.398 -0.700 19513
1137 1 8 . 1 1 675 675 ILE N N 675 121.205 121.205 123.295 -2.090 19513
1138 1 8 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.100 -0.131 19513
1139 1 8 . 1 1 675 675 ILE C C 675 176.696 176.696 177.775 -1.079 19513
1140 1 8 . 1 1 675 675 ILE CA C 675 62.859 62.859 64.111 -1.252 19513
1141 1 8 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.305 1.111 19513
1142 1 8 . 1 1 675 675 ILE H H 675 8.067 8.067 7.517 0.550 19513
1143 1 8 . 1 1 676 676 THR N N 676 113.871 113.871 112.427 1.444 19513
1144 1 8 . 1 1 676 676 THR HA H 676 3.934 3.934 3.998 -0.064 19513
1145 1 8 . 1 1 676 676 THR C C 676 175.384 175.384 176.712 -1.328 19513
1146 1 8 . 1 1 676 676 THR CA C 676 64.588 64.588 65.995 -1.407 19513
1147 1 8 . 1 1 676 676 THR CB C 676 68.930 68.930 68.193 0.737 19513
1148 1 8 . 1 1 676 676 THR H H 676 7.819 7.819 8.646 -0.827 19513
1149 1 8 . 1 1 677 677 ASN N N 677 119.341 119.341 119.870 -0.529 19513
1150 1 8 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.620 -0.053 19513
1151 1 8 . 1 1 677 677 ASN C C 677 175.940 175.940 176.742 -0.802 19513
1152 1 8 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.187 -0.633 19513
1153 1 8 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.983 -0.862 19513
1154 1 8 . 1 1 677 677 ASN H H 677 7.989 7.989 8.077 -0.088 19513
1155 1 8 . 1 1 678 678 TRP N N 678 119.377 119.377 119.957 -0.580 19513
1156 1 8 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.622 -0.031 19513
1157 1 8 . 1 1 678 678 TRP C C 678 176.785 176.785 178.070 -1.285 19513
1158 1 8 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.163 -0.467 19513
1159 1 8 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.554 0.090 19513
1160 1 8 . 1 1 678 678 TRP H H 678 7.792 7.792 8.107 -0.315 19513
1161 1 8 . 1 1 679 679 LEU N N 679 117.934 117.934 120.045 -2.111 19513
1162 1 8 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.170 0.824 19513
1163 1 8 . 1 1 679 679 LEU C C 679 177.430 177.430 177.884 -0.454 19513
1164 1 8 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.581 0.168 19513
1165 1 8 . 1 1 679 679 LEU CB C 679 41.760 41.760 40.785 0.975 19513
1166 1 8 . 1 1 679 679 LEU H H 679 7.752 7.752 8.334 -0.582 19513
1167 1 8 . 1 1 680 680 TRP N N 680 117.268 117.268 119.828 -2.560 19513
1168 1 8 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.264 0.082 19513
1169 1 8 . 1 1 680 680 TRP C C 680 176.340 176.340 177.591 -1.251 19513
1170 1 8 . 1 1 680 680 TRP CA C 680 58.835 58.835 61.334 -2.499 19513
1171 1 8 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.264 -0.076 19513
1172 1 8 . 1 1 680 680 TRP H H 680 7.543 7.543 7.513 0.030 19513
1173 1 8 . 1 1 681 681 TYR N N 681 116.283 116.283 119.616 -3.333 19513
1174 1 8 . 1 1 681 681 TYR HA H 681 4.170 4.170 4.327 -0.157 19513
1175 1 8 . 1 1 681 681 TYR C C 681 175.607 175.607 176.362 -0.755 19513
1176 1 8 . 1 1 681 681 TYR CA C 681 59.670 59.670 60.306 -0.636 19513
1177 1 8 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.922 0.195 19513
1178 1 8 . 1 1 681 681 TYR H H 681 7.473 7.473 7.674 -0.201 19513
1179 1 8 . 1 1 682 682 ILE N N 682 115.196 115.196 112.625 2.571 19513
1180 1 8 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.111 0.074 19513
1181 1 8 . 1 1 682 682 ILE C C 682 174.317 174.317 176.518 -2.201 19513
1182 1 8 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.888 0.316 19513
1183 1 8 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.187 -0.292 19513
1184 1 8 . 1 1 682 682 ILE H H 682 7.483 7.483 7.277 0.206 19513
1185 1 9 . 1 1 658 658 LYS HA H 658 4.287 4.287 3.923 0.364 19513
1186 1 9 . 1 1 658 658 LYS C C 658 175.629 175.629 174.801 0.828 19513
1187 1 9 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.880 -0.235 19513
1188 1 9 . 1 1 658 658 LYS CB C 658 32.996 32.996 31.485 1.511 19513
1189 1 9 . 1 1 659 659 ASP N N 659 121.467 121.467 118.986 2.481 19513
1190 1 9 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.675 -0.077 19513
1191 1 9 . 1 1 659 659 ASP C C 659 176.474 176.474 176.639 -0.165 19513
1192 1 9 . 1 1 659 659 ASP CA C 659 54.221 54.221 54.016 0.205 19513
1193 1 9 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.002 -0.673 19513
1194 1 9 . 1 1 659 659 ASP H H 659 8.348 8.348 8.267 0.081 19513
1195 1 9 . 1 1 660 660 LEU N N 660 123.085 123.085 120.917 2.168 19513
1196 1 9 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.446 -0.232 19513
1197 1 9 . 1 1 660 660 LEU C C 660 177.141 177.141 179.031 -1.890 19513
1198 1 9 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.395 0.105 19513
1199 1 9 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.525 -0.019 19513
1200 1 9 . 1 1 660 660 LEU H H 660 8.501 8.501 8.610 -0.109 19513
1201 1 9 . 1 1 661 661 LEU N N 661 118.555 118.555 120.711 -2.156 19513
1202 1 9 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.158 0.202 19513
1203 1 9 . 1 1 661 661 LEU C C 661 176.318 176.318 177.085 -0.767 19513
1204 1 9 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.868 -2.024 19513
1205 1 9 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.574 0.251 19513
1206 1 9 . 1 1 661 661 LEU H H 661 8.130 8.130 7.732 0.398 19513
1207 1 9 . 1 1 662 662 ALA N N 662 122.853 122.853 121.120 1.733 19513
1208 1 9 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.214 0.201 19513
1209 1 9 . 1 1 662 662 ALA C C 662 177.941 177.941 178.642 -0.701 19513
1210 1 9 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.643 -0.499 19513
1211 1 9 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.466 1.879 19513
1212 1 9 . 1 1 662 662 ALA H H 662 7.864 7.864 8.152 -0.288 19513
1213 1 9 . 1 1 663 663 LEU N N 663 121.303 121.303 125.026 -3.723 19513
1214 1 9 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.229 -0.030 19513
1215 1 9 . 1 1 663 663 LEU C C 663 177.963 177.963 177.391 0.572 19513
1216 1 9 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.911 -0.272 19513
1217 1 9 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.891 0.129 19513
1218 1 9 . 1 1 663 663 LEU H H 663 8.314 8.314 8.194 0.120 19513
1219 1 9 . 1 1 664 664 ASP N N 664 118.224 118.224 117.363 0.861 19513
1220 1 9 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.406 0.035 19513
1221 1 9 . 1 1 664 664 ASP C C 664 177.541 177.541 177.782 -0.241 19513
1222 1 9 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.634 -0.317 19513
1223 1 9 . 1 1 664 664 ASP CB C 664 40.913 40.913 39.950 0.963 19513
1224 1 9 . 1 1 664 664 ASP H H 664 8.448 8.448 8.496 -0.048 19513
1225 1 9 . 1 1 665 665 SER N N 665 113.947 113.947 114.248 -0.301 19513
1226 1 9 . 1 1 665 665 SER HA H 665 4.361 4.361 4.482 -0.121 19513
1227 1 9 . 1 1 665 665 SER C C 665 175.562 175.562 175.487 0.075 19513
1228 1 9 . 1 1 665 665 SER CA C 665 60.048 60.048 59.639 0.409 19513
1229 1 9 . 1 1 665 665 SER CB C 665 63.503 63.503 63.728 -0.226 19513
1230 1 9 . 1 1 665 665 SER H H 665 7.921 7.921 7.888 0.033 19513
1231 1 9 . 1 1 666 666 TRP N N 666 122.464 122.464 123.679 -1.215 19513
1232 1 9 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.976 0.532 19513
1233 1 9 . 1 1 666 666 TRP C C 666 177.118 177.118 177.147 -0.029 19513
1234 1 9 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.854 -2.019 19513
1235 1 9 . 1 1 666 666 TRP CB C 666 29.262 29.262 28.840 0.422 19513
1236 1 9 . 1 1 666 666 TRP H H 666 8.048 8.048 7.776 0.272 19513
1237 1 9 . 1 1 667 667 LYS N N 667 118.273 118.273 118.503 -0.230 19513
1238 1 9 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.824 0.107 19513
1239 1 9 . 1 1 667 667 LYS C C 667 178.186 178.186 178.775 -0.589 19513
1240 1 9 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.980 -0.516 19513
1241 1 9 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.792 0.552 19513
1242 1 9 . 1 1 667 667 LYS H H 667 7.876 7.876 7.687 0.189 19513
1243 1 9 . 1 1 668 668 ASN N N 668 116.883 116.883 117.424 -0.541 19513
1244 1 9 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.540 0.097 19513
1245 1 9 . 1 1 668 668 ASN C C 668 176.763 176.763 177.577 -0.814 19513
1246 1 9 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.696 -0.891 19513
1247 1 9 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.600 -0.356 19513
1248 1 9 . 1 1 668 668 ASN H H 668 8.117 8.117 7.715 0.402 19513
1249 1 9 . 1 1 669 669 LEU N N 669 121.093 121.093 121.690 -0.597 19513
1250 1 9 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.124 -0.119 19513
1251 1 9 . 1 1 669 669 LEU C C 669 177.519 177.519 177.847 -0.328 19513
1252 1 9 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.329 0.534 19513
1253 1 9 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.885 0.341 19513
1254 1 9 . 1 1 669 669 LEU H H 669 7.833 7.833 7.811 0.022 19513
1255 1 9 . 1 1 670 670 TRP N N 670 116.959 116.959 119.229 -2.270 19513
1256 1 9 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.284 0.301 19513
1257 1 9 . 1 1 670 670 TRP C C 670 177.496 177.496 179.199 -1.703 19513
1258 1 9 . 1 1 670 670 TRP CA C 670 58.918 58.918 58.976 -0.058 19513
1259 1 9 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.644 0.006 19513
1260 1 9 . 1 1 670 670 TRP H H 670 7.864 7.864 8.382 -0.518 19513
1261 1 9 . 1 1 671 671 SER N N 671 113.455 113.455 114.418 -0.963 19513
1262 1 9 . 1 1 671 671 SER HA H 671 4.253 4.253 4.391 -0.138 19513
1263 1 9 . 1 1 671 671 SER C C 671 175.562 175.562 175.763 -0.201 19513
1264 1 9 . 1 1 671 671 SER CA C 671 60.643 60.643 60.771 -0.128 19513
1265 1 9 . 1 1 671 671 SER CB C 671 63.441 63.441 63.147 0.294 19513
1266 1 9 . 1 1 671 671 SER H H 671 7.950 7.950 8.162 -0.212 19513
1267 1 9 . 1 1 672 672 TRP N N 672 121.536 121.536 120.058 1.478 19513
1268 1 9 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.524 -0.063 19513
1269 1 9 . 1 1 672 672 TRP C C 672 176.785 176.785 177.815 -1.030 19513
1270 1 9 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.117 -0.957 19513
1271 1 9 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.066 -0.611 19513
1272 1 9 . 1 1 672 672 TRP H H 672 7.895 7.895 7.630 0.265 19513
1273 1 9 . 1 1 673 673 PHE N N 673 118.414 118.414 119.157 -0.743 19513
1274 1 9 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.567 -0.286 19513
1275 1 9 . 1 1 673 673 PHE C C 673 175.473 175.473 175.519 -0.046 19513
1276 1 9 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.913 1.280 19513
1277 1 9 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.212 2.163 19513
1278 1 9 . 1 1 673 673 PHE H H 673 7.942 7.942 7.907 0.035 19513
1279 1 9 . 1 1 674 674 SER N N 674 114.868 114.868 117.392 -2.524 19513
1280 1 9 . 1 1 674 674 SER HA H 674 4.362 4.362 4.622 -0.260 19513
1281 1 9 . 1 1 674 674 SER C C 674 175.273 175.273 175.763 -0.490 19513
1282 1 9 . 1 1 674 674 SER CA C 674 58.612 58.612 56.426 2.186 19513
1283 1 9 . 1 1 674 674 SER CB C 674 63.602 63.602 62.424 1.178 19513
1284 1 9 . 1 1 674 674 SER H H 674 7.698 7.698 8.262 -0.564 19513
1285 1 9 . 1 1 675 675 ILE N N 675 121.205 121.205 123.376 -2.171 19513
1286 1 9 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.053 -0.084 19513
1287 1 9 . 1 1 675 675 ILE C C 675 176.696 176.696 177.568 -0.872 19513
1288 1 9 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.700 -0.841 19513
1289 1 9 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.249 1.167 19513
1290 1 9 . 1 1 675 675 ILE H H 675 8.067 8.067 7.452 0.615 19513
1291 1 9 . 1 1 676 676 THR N N 676 113.871 113.871 113.756 0.115 19513
1292 1 9 . 1 1 676 676 THR HA H 676 3.934 3.934 3.958 -0.024 19513
1293 1 9 . 1 1 676 676 THR C C 676 175.384 175.384 176.750 -1.366 19513
1294 1 9 . 1 1 676 676 THR CA C 676 64.588 64.588 65.882 -1.294 19513
1295 1 9 . 1 1 676 676 THR CB C 676 68.930 68.930 68.333 0.597 19513
1296 1 9 . 1 1 676 676 THR H H 676 7.819 7.819 8.587 -0.768 19513
1297 1 9 . 1 1 677 677 ASN N N 677 119.341 119.341 119.143 0.198 19513
1298 1 9 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.740 -0.173 19513
1299 1 9 . 1 1 677 677 ASN C C 677 175.940 175.940 177.047 -1.107 19513
1300 1 9 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.738 -1.184 19513
1301 1 9 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.144 -1.023 19513
1302 1 9 . 1 1 677 677 ASN H H 677 7.989 7.989 8.130 -0.141 19513
1303 1 9 . 1 1 678 678 TRP N N 678 119.377 119.377 119.913 -0.536 19513
1304 1 9 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.626 -0.035 19513
1305 1 9 . 1 1 678 678 TRP C C 678 176.785 176.785 177.826 -1.041 19513
1306 1 9 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.243 -0.547 19513
1307 1 9 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.714 -0.070 19513
1308 1 9 . 1 1 678 678 TRP H H 678 7.792 7.792 8.231 -0.439 19513
1309 1 9 . 1 1 679 679 LEU N N 679 117.934 117.934 120.163 -2.229 19513
1310 1 9 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.227 0.767 19513
1311 1 9 . 1 1 679 679 LEU C C 679 177.430 177.430 177.668 -0.238 19513
1312 1 9 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.343 0.407 19513
1313 1 9 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.412 0.348 19513
1314 1 9 . 1 1 679 679 LEU H H 679 7.752 7.752 8.354 -0.602 19513
1315 1 9 . 1 1 680 680 TRP N N 680 117.268 117.268 120.215 -2.947 19513
1316 1 9 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.298 0.048 19513
1317 1 9 . 1 1 680 680 TRP C C 680 176.340 176.340 176.487 -0.147 19513
1318 1 9 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.484 -0.649 19513
1319 1 9 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.186 0.002 19513
1320 1 9 . 1 1 680 680 TRP H H 680 7.543 7.543 7.716 -0.173 19513
1321 1 9 . 1 1 681 681 TYR N N 681 116.283 116.283 120.045 -3.762 19513
1322 1 9 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.354 0.816 19513
1323 1 9 . 1 1 681 681 TYR C C 681 175.607 175.607 175.762 -0.155 19513
1324 1 9 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.716 -0.046 19513
1325 1 9 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.940 0.177 19513
1326 1 9 . 1 1 681 681 TYR H H 681 7.473 7.473 7.309 0.164 19513
1327 1 9 . 1 1 682 682 ILE N N 682 115.196 115.196 112.434 2.762 19513
1328 1 9 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.055 0.130 19513
1329 1 9 . 1 1 682 682 ILE C C 682 174.317 174.317 176.305 -1.988 19513
1330 1 9 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.835 0.369 19513
1331 1 9 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.048 -0.153 19513
1332 1 9 . 1 1 682 682 ILE H H 682 7.483 7.483 7.079 0.404 19513
1333 1 10 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.533 -0.246 19513
1334 1 10 . 1 1 658 658 LYS C C 658 175.629 175.629 175.648 -0.019 19513
1335 1 10 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.035 0.610 19513
1336 1 10 . 1 1 658 658 LYS CB C 658 32.996 32.996 34.171 -1.175 19513
1337 1 10 . 1 1 659 659 ASP N N 659 121.467 121.467 121.065 0.402 19513
1338 1 10 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.672 -0.074 19513
1339 1 10 . 1 1 659 659 ASP C C 659 176.474 176.474 176.875 -0.401 19513
1340 1 10 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.811 0.410 19513
1341 1 10 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.991 -0.662 19513
1342 1 10 . 1 1 659 659 ASP H H 659 8.348 8.348 8.430 -0.082 19513
1343 1 10 . 1 1 660 660 LEU N N 660 123.085 123.085 119.051 4.034 19513
1344 1 10 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.365 -0.151 19513
1345 1 10 . 1 1 660 660 LEU C C 660 177.141 177.141 178.840 -1.699 19513
1346 1 10 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.048 0.452 19513
1347 1 10 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.301 0.205 19513
1348 1 10 . 1 1 660 660 LEU H H 660 8.501 8.501 8.298 0.203 19513
1349 1 10 . 1 1 661 661 LEU N N 661 118.555 118.555 121.107 -2.552 19513
1350 1 10 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.175 0.185 19513
1351 1 10 . 1 1 661 661 LEU C C 661 176.318 176.318 177.256 -0.938 19513
1352 1 10 . 1 1 661 661 LEU CA C 661 54.844 54.844 57.023 -2.179 19513
1353 1 10 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.801 0.024 19513
1354 1 10 . 1 1 661 661 LEU H H 661 8.130 8.130 7.599 0.531 19513
1355 1 10 . 1 1 662 662 ALA N N 662 122.853 122.853 120.798 2.055 19513
1356 1 10 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.254 0.161 19513
1357 1 10 . 1 1 662 662 ALA C C 662 177.941 177.941 178.518 -0.577 19513
1358 1 10 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.730 -0.586 19513
1359 1 10 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.664 1.682 19513
1360 1 10 . 1 1 662 662 ALA H H 662 7.864 7.864 8.095 -0.231 19513
1361 1 10 . 1 1 663 663 LEU N N 663 121.303 121.303 125.816 -4.513 19513
1362 1 10 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.255 -0.056 19513
1363 1 10 . 1 1 663 663 LEU C C 663 177.963 177.963 178.072 -0.109 19513
1364 1 10 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.928 -0.289 19513
1365 1 10 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.900 0.120 19513
1366 1 10 . 1 1 663 663 LEU H H 663 8.314 8.314 8.313 0.001 19513
1367 1 10 . 1 1 664 664 ASP N N 664 118.224 118.224 119.001 -0.777 19513
1368 1 10 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.450 -0.009 19513
1369 1 10 . 1 1 664 664 ASP C C 664 177.541 177.541 177.987 -0.446 19513
1370 1 10 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.957 -0.640 19513
1371 1 10 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.531 0.382 19513
1372 1 10 . 1 1 664 664 ASP H H 664 8.448 8.448 8.388 0.060 19513
1373 1 10 . 1 1 665 665 SER N N 665 113.947 113.947 113.669 0.278 19513
1374 1 10 . 1 1 665 665 SER HA H 665 4.361 4.361 4.469 -0.108 19513
1375 1 10 . 1 1 665 665 SER C C 665 175.562 175.562 176.196 -0.634 19513
1376 1 10 . 1 1 665 665 SER CA C 665 60.048 60.048 59.141 0.907 19513
1377 1 10 . 1 1 665 665 SER CB C 665 63.503 63.503 63.642 -0.140 19513
1378 1 10 . 1 1 665 665 SER H H 665 7.921 7.921 7.790 0.132 19513
1379 1 10 . 1 1 666 666 TRP N N 666 122.464 122.464 123.500 -1.036 19513
1380 1 10 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.974 0.534 19513
1381 1 10 . 1 1 666 666 TRP C C 666 177.118 177.118 177.337 -0.219 19513
1382 1 10 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.546 -1.711 19513
1383 1 10 . 1 1 666 666 TRP CB C 666 29.262 29.262 28.947 0.315 19513
1384 1 10 . 1 1 666 666 TRP H H 666 8.048 8.048 7.718 0.330 19513
1385 1 10 . 1 1 667 667 LYS N N 667 118.273 118.273 118.500 -0.227 19513
1386 1 10 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.825 0.106 19513
1387 1 10 . 1 1 667 667 LYS C C 667 178.186 178.186 178.787 -0.601 19513
1388 1 10 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.970 -0.506 19513
1389 1 10 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.777 0.567 19513
1390 1 10 . 1 1 667 667 LYS H H 667 7.876 7.876 7.669 0.207 19513
1391 1 10 . 1 1 668 668 ASN N N 668 116.883 116.883 117.333 -0.450 19513
1392 1 10 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.568 0.069 19513
1393 1 10 . 1 1 668 668 ASN C C 668 176.763 176.763 177.598 -0.835 19513
1394 1 10 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.708 -0.904 19513
1395 1 10 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.637 -0.393 19513
1396 1 10 . 1 1 668 668 ASN H H 668 8.117 8.117 7.692 0.425 19513
1397 1 10 . 1 1 669 669 LEU N N 669 121.093 121.093 121.545 -0.452 19513
1398 1 10 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.183 -0.178 19513
1399 1 10 . 1 1 669 669 LEU C C 669 177.519 177.519 178.100 -0.581 19513
1400 1 10 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.286 0.577 19513
1401 1 10 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.926 0.300 19513
1402 1 10 . 1 1 669 669 LEU H H 669 7.833 7.833 7.792 0.041 19513
1403 1 10 . 1 1 670 670 TRP N N 670 116.959 116.959 119.304 -2.345 19513
1404 1 10 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.306 0.279 19513
1405 1 10 . 1 1 670 670 TRP C C 670 177.496 177.496 179.035 -1.539 19513
1406 1 10 . 1 1 670 670 TRP CA C 670 58.918 58.918 58.986 -0.068 19513
1407 1 10 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.626 0.024 19513
1408 1 10 . 1 1 670 670 TRP H H 670 7.864 7.864 8.374 -0.510 19513
1409 1 10 . 1 1 671 671 SER N N 671 113.455 113.455 113.826 -0.371 19513
1410 1 10 . 1 1 671 671 SER HA H 671 4.253 4.253 4.449 -0.196 19513
1411 1 10 . 1 1 671 671 SER C C 671 175.562 175.562 175.975 -0.413 19513
1412 1 10 . 1 1 671 671 SER CA C 671 60.643 60.643 60.934 -0.291 19513
1413 1 10 . 1 1 671 671 SER CB C 671 63.441 63.441 63.155 0.286 19513
1414 1 10 . 1 1 671 671 SER H H 671 7.950 7.950 8.155 -0.205 19513
1415 1 10 . 1 1 672 672 TRP N N 672 121.536 121.536 121.792 -0.256 19513
1416 1 10 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.516 -0.056 19513
1417 1 10 . 1 1 672 672 TRP C C 672 176.785 176.785 176.447 0.338 19513
1418 1 10 . 1 1 672 672 TRP CA C 672 59.160 59.160 59.997 -0.837 19513
1419 1 10 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.205 -0.750 19513
1420 1 10 . 1 1 672 672 TRP H H 672 7.895 7.895 7.674 0.221 19513
1421 1 10 . 1 1 673 673 PHE N N 673 118.414 118.414 119.512 -1.098 19513
1422 1 10 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.630 -0.349 19513
1423 1 10 . 1 1 673 673 PHE C C 673 175.473 175.473 175.638 -0.165 19513
1424 1 10 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.555 1.638 19513
1425 1 10 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.920 1.455 19513
1426 1 10 . 1 1 673 673 PHE H H 673 7.942 7.942 7.925 0.017 19513
1427 1 10 . 1 1 674 674 SER N N 674 114.868 114.868 119.395 -4.527 19513
1428 1 10 . 1 1 674 674 SER HA H 674 4.362 4.362 4.671 -0.309 19513
1429 1 10 . 1 1 674 674 SER C C 674 175.273 175.273 175.586 -0.313 19513
1430 1 10 . 1 1 674 674 SER CA C 674 58.612 58.612 56.811 1.801 19513
1431 1 10 . 1 1 674 674 SER CB C 674 63.602 63.602 63.047 0.555 19513
1432 1 10 . 1 1 674 674 SER H H 674 7.698 7.698 8.238 -0.540 19513
1433 1 10 . 1 1 675 675 ILE N N 675 121.205 121.205 124.773 -3.568 19513
1434 1 10 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.154 -0.185 19513
1435 1 10 . 1 1 675 675 ILE C C 675 176.696 176.696 177.676 -0.980 19513
1436 1 10 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.315 -0.456 19513
1437 1 10 . 1 1 675 675 ILE CB C 675 38.416 38.416 36.985 1.431 19513
1438 1 10 . 1 1 675 675 ILE H H 675 8.067 8.067 7.535 0.532 19513
1439 1 10 . 1 1 676 676 THR N N 676 113.871 113.871 113.783 0.088 19513
1440 1 10 . 1 1 676 676 THR HA H 676 3.934 3.934 3.974 -0.040 19513
1441 1 10 . 1 1 676 676 THR C C 676 175.384 175.384 176.690 -1.306 19513
1442 1 10 . 1 1 676 676 THR CA C 676 64.588 64.588 66.322 -1.734 19513
1443 1 10 . 1 1 676 676 THR CB C 676 68.930 68.930 68.805 0.125 19513
1444 1 10 . 1 1 676 676 THR H H 676 7.819 7.819 8.627 -0.808 19513
1445 1 10 . 1 1 677 677 ASN N N 677 119.341 119.341 119.138 0.203 19513
1446 1 10 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.782 -0.215 19513
1447 1 10 . 1 1 677 677 ASN C C 677 175.940 175.940 176.971 -1.031 19513
1448 1 10 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.161 -0.607 19513
1449 1 10 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.876 -0.755 19513
1450 1 10 . 1 1 677 677 ASN H H 677 7.989 7.989 8.035 -0.046 19513
1451 1 10 . 1 1 678 678 TRP N N 678 119.377 119.377 119.549 -0.172 19513
1452 1 10 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.658 -0.067 19513
1453 1 10 . 1 1 678 678 TRP C C 678 176.785 176.785 177.863 -1.078 19513
1454 1 10 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.040 -0.344 19513
1455 1 10 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.777 -0.133 19513
1456 1 10 . 1 1 678 678 TRP H H 678 7.792 7.792 8.224 -0.432 19513
1457 1 10 . 1 1 679 679 LEU N N 679 117.934 117.934 120.203 -2.269 19513
1458 1 10 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.233 0.761 19513
1459 1 10 . 1 1 679 679 LEU C C 679 177.430 177.430 177.678 -0.248 19513
1460 1 10 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.402 0.348 19513
1461 1 10 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.400 0.360 19513
1462 1 10 . 1 1 679 679 LEU H H 679 7.752 7.752 8.394 -0.642 19513
1463 1 10 . 1 1 680 680 TRP N N 680 117.268 117.268 120.295 -3.027 19513
1464 1 10 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.301 0.045 19513
1465 1 10 . 1 1 680 680 TRP C C 680 176.340 176.340 176.508 -0.168 19513
1466 1 10 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.598 -0.763 19513
1467 1 10 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.178 0.010 19513
1468 1 10 . 1 1 680 680 TRP H H 680 7.543 7.543 7.756 -0.213 19513
1469 1 10 . 1 1 681 681 TYR N N 681 116.283 116.283 120.102 -3.819 19513
1470 1 10 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.369 0.801 19513
1471 1 10 . 1 1 681 681 TYR C C 681 175.607 175.607 175.748 -0.141 19513
1472 1 10 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.732 -0.062 19513
1473 1 10 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.981 0.136 19513
1474 1 10 . 1 1 681 681 TYR H H 681 7.473 7.473 7.327 0.146 19513
1475 1 10 . 1 1 682 682 ILE N N 682 115.196 115.196 112.291 2.905 19513
1476 1 10 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.023 0.162 19513
1477 1 10 . 1 1 682 682 ILE C C 682 174.317 174.317 176.542 -2.225 19513
1478 1 10 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.973 0.231 19513
1479 1 10 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.225 -0.330 19513
1480 1 10 . 1 1 682 682 ILE H H 682 7.483 7.483 7.040 0.443 19513
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 24 2.182 0.988 1.988 19513
2 1 1 "Average Difference" HA 25 0.244 0.041 0.245 19513
3 1 1 "Average Difference" C 25 0.945 0.614 0.733 19513
4 1 1 "Average Difference" CA 25 1.135 0.398 1.085 19513
5 1 1 "Average Difference" CB 25 0.701 -0.312 0.641 19513
6 1 1 "Average Difference" HN 24 0.377 0.075 0.377 19513
7 1 2 "Average Difference" N 24 2.679 0.961 2.554 19513
8 1 2 "Average Difference" HA 25 0.287 -0.040 0.290 19513
9 1 2 "Average Difference" C 25 0.850 0.544 0.667 19513
10 1 2 "Average Difference" CA 25 0.914 0.417 0.830 19513
11 1 2 "Average Difference" CB 25 0.633 -0.292 0.573 19513
12 1 2 "Average Difference" HN 24 0.429 0.108 0.424 19513
13 1 3 "Average Difference" N 24 2.089 0.805 1.969 19513
14 1 3 "Average Difference" HA 25 0.255 -0.039 0.257 19513
15 1 3 "Average Difference" C 25 0.976 0.711 0.683 19513
16 1 3 "Average Difference" CA 25 1.047 0.520 0.928 19513
17 1 3 "Average Difference" CB 25 0.807 -0.388 0.722 19513
18 1 3 "Average Difference" HN 24 0.358 0.056 0.361 19513
19 1 4 "Average Difference" N 24 2.414 0.709 2.357 19513
20 1 4 "Average Difference" HA 25 0.293 -0.059 0.293 19513
21 1 4 "Average Difference" C 25 0.843 0.503 0.691 19513
22 1 4 "Average Difference" CA 25 1.006 0.326 0.971 19513
23 1 4 "Average Difference" CB 25 0.792 -0.397 0.700 19513
24 1 4 "Average Difference" HN 24 0.385 0.036 0.391 19513
25 1 5 "Average Difference" N 24 2.537 0.947 2.405 19513
26 1 5 "Average Difference" HA 25 0.254 0.014 0.259 19513
27 1 5 "Average Difference" C 25 0.885 0.665 0.596 19513
28 1 5 "Average Difference" CA 25 0.984 0.481 0.876 19513
29 1 5 "Average Difference" CB 25 0.682 -0.234 0.654 19513
30 1 5 "Average Difference" HN 24 0.395 0.102 0.390 19513
31 1 6 "Average Difference" N 24 2.125 0.562 2.094 19513
32 1 6 "Average Difference" HA 25 0.292 -0.047 0.294 19513
33 1 6 "Average Difference" C 25 0.960 0.598 0.767 19513
34 1 6 "Average Difference" CA 25 0.937 0.182 0.938 19513
35 1 6 "Average Difference" CB 25 0.791 -0.280 0.755 19513
36 1 6 "Average Difference" HN 24 0.344 0.024 0.351 19513
37 1 7 "Average Difference" N 24 2.728 1.143 2.530 19513
38 1 7 "Average Difference" HA 25 0.291 -0.050 0.293 19513
39 1 7 "Average Difference" C 25 0.840 0.552 0.647 19513
40 1 7 "Average Difference" CA 25 0.853 0.349 0.794 19513
41 1 7 "Average Difference" CB 25 0.727 -0.271 0.688 19513
42 1 7 "Average Difference" HN 24 0.410 0.117 0.402 19513
43 1 8 "Average Difference" N 24 1.978 0.772 1.861 19513
44 1 8 "Average Difference" HA 25 0.246 -0.006 0.251 19513
45 1 8 "Average Difference" C 25 0.951 0.715 0.640 19513
46 1 8 "Average Difference" CA 25 1.062 0.327 1.031 19513
47 1 8 "Average Difference" CB 25 0.801 -0.298 0.759 19513
48 1 8 "Average Difference" HN 24 0.346 0.064 0.347 19513
49 1 9 "Average Difference" N 24 1.948 0.630 1.883 19513
50 1 9 "Average Difference" HA 25 0.295 -0.078 0.291 19513
51 1 9 "Average Difference" C 25 0.897 0.577 0.700 19513
52 1 9 "Average Difference" CA 25 0.946 0.279 0.923 19513
53 1 9 "Average Difference" CB 25 0.837 -0.354 0.774 19513
54 1 9 "Average Difference" HN 24 0.355 0.036 0.360 19513
55 1 10 "Average Difference" N 24 2.303 0.896 2.167 19513
56 1 10 "Average Difference" HA 25 0.295 -0.035 0.299 19513
57 1 10 "Average Difference" C 25 0.873 0.653 0.591 19513
58 1 10 "Average Difference" CA 25 0.952 0.200 0.950 19513
59 1 10 "Average Difference" CB 25 0.679 -0.146 0.676 19513
60 1 10 "Average Difference" HN 24 0.364 0.018 0.371 19513
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 19513
_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 1 658 658 LYS HA H 658 4.287 4.287 4.316 -0.029 19513
2 1 . 1 1 658 658 LYS C C 658 175.629 175.629 175.257 0.372 19513
3 1 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.230 0.415 19513
4 1 . 1 1 658 658 LYS CB C 658 32.996 32.996 32.591 0.406 19513
5 1 . 1 1 659 659 ASP N N 659 121.467 121.467 120.530 0.937 19513
6 1 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.661 -0.063 19513
7 1 . 1 1 659 659 ASP C C 659 176.474 176.474 176.706 -0.232 19513
8 1 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.821 0.400 19513
9 1 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.001 -0.672 19513
10 1 . 1 1 659 659 ASP H H 659 8.348 8.348 8.173 0.175 19513
11 1 . 1 1 660 660 LEU N N 660 123.085 123.085 120.176 2.909 19513
12 1 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.436 -0.222 19513
13 1 . 1 1 660 660 LEU C C 660 177.141 177.141 179.092 -1.951 19513
14 1 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.824 -0.324 19513
15 1 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.228 0.278 19513
16 1 . 1 1 660 660 LEU H H 660 8.501 8.501 8.301 0.200 19513
17 1 . 1 1 661 661 LEU N N 661 118.555 118.555 120.891 -2.336 19513
18 1 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.214 0.147 19513
19 1 . 1 1 661 661 LEU C C 661 176.318 176.318 177.276 -0.958 19513
20 1 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.769 -1.925 19513
21 1 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.579 0.246 19513
22 1 . 1 1 661 661 LEU H H 661 8.130 8.130 7.858 0.272 19513
23 1 . 1 1 662 662 ALA N N 662 122.853 122.853 120.877 1.976 19513
24 1 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.222 0.193 19513
25 1 . 1 1 662 662 ALA C C 662 177.941 177.941 178.563 -0.622 19513
26 1 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.586 -0.442 19513
27 1 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.607 1.738 19513
28 1 . 1 1 662 662 ALA H H 662 7.864 7.864 8.134 -0.270 19513
29 1 . 1 1 663 663 LEU N N 663 121.303 121.303 125.525 -4.222 19513
30 1 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.284 -0.085 19513
31 1 . 1 1 663 663 LEU C C 663 177.963 177.963 177.673 0.290 19513
32 1 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.987 -0.348 19513
33 1 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.924 0.096 19513
34 1 . 1 1 663 663 LEU H H 663 8.314 8.314 8.278 0.036 19513
35 1 . 1 1 664 664 ASP N N 664 118.224 118.224 118.269 -0.045 19513
36 1 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.449 -0.008 19513
37 1 . 1 1 664 664 ASP C C 664 177.541 177.541 178.034 -0.493 19513
38 1 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.006 -0.689 19513
39 1 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.205 0.708 19513
40 1 . 1 1 664 664 ASP H H 664 8.448 8.448 8.554 -0.106 19513
41 1 . 1 1 665 665 SER N N 665 113.947 113.947 114.021 -0.074 19513
42 1 . 1 1 665 665 SER HA H 665 4.361 4.361 4.490 -0.129 19513
43 1 . 1 1 665 665 SER C C 665 175.562 175.562 175.457 0.105 19513
44 1 . 1 1 665 665 SER CA C 665 60.048 60.048 59.511 0.536 19513
45 1 . 1 1 665 665 SER CB C 665 63.503 63.503 63.585 -0.082 19513
46 1 . 1 1 665 665 SER H H 665 7.921 7.921 7.813 0.108 19513
47 1 . 1 1 666 666 TRP N N 666 122.464 122.464 123.480 -1.016 19513
48 1 . 1 1 666 666 TRP HA H 666 4.508 4.508 4.010 0.498 19513
49 1 . 1 1 666 666 TRP C C 666 177.118 177.118 177.260 -0.142 19513
50 1 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.718 -1.883 19513
51 1 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.113 0.149 19513
52 1 . 1 1 666 666 TRP H H 666 8.048 8.048 7.804 0.244 19513
53 1 . 1 1 667 667 LYS N N 667 118.273 118.273 118.838 -0.565 19513
54 1 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.878 0.053 19513
55 1 . 1 1 667 667 LYS C C 667 178.186 178.186 178.732 -0.546 19513
56 1 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.955 -0.491 19513
57 1 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.658 0.686 19513
58 1 . 1 1 667 667 LYS H H 667 7.876 7.876 7.764 0.112 19513
59 1 . 1 1 668 668 ASN N N 668 116.883 116.883 117.504 -0.621 19513
60 1 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.553 0.084 19513
61 1 . 1 1 668 668 ASN C C 668 176.763 176.763 177.545 -0.782 19513
62 1 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.667 -0.863 19513
63 1 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.411 -0.167 19513
64 1 . 1 1 668 668 ASN H H 668 8.117 8.117 7.775 0.342 19513
65 1 . 1 1 669 669 LEU N N 669 121.093 121.093 121.628 -0.535 19513
66 1 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.123 -0.118 19513
67 1 . 1 1 669 669 LEU C C 669 177.519 177.519 177.835 -0.316 19513
68 1 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.326 0.537 19513
69 1 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.734 0.492 19513
70 1 . 1 1 669 669 LEU H H 669 7.833 7.833 7.824 0.009 19513
71 1 . 1 1 670 670 TRP N N 670 116.959 116.959 119.261 -2.302 19513
72 1 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.407 0.178 19513
73 1 . 1 1 670 670 TRP C C 670 177.496 177.496 178.756 -1.259 19513
74 1 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.174 -0.256 19513
75 1 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.655 -0.005 19513
76 1 . 1 1 670 670 TRP H H 670 7.864 7.864 8.463 -0.599 19513
77 1 . 1 1 671 671 SER N N 671 113.455 113.455 113.233 0.222 19513
78 1 . 1 1 671 671 SER HA H 671 4.253 4.253 4.419 -0.166 19513
79 1 . 1 1 671 671 SER C C 671 175.562 175.562 175.817 -0.255 19513
80 1 . 1 1 671 671 SER CA C 671 60.643 60.643 60.953 -0.310 19513
81 1 . 1 1 671 671 SER CB C 671 63.441 63.441 63.197 0.244 19513
82 1 . 1 1 671 671 SER H H 671 7.950 7.950 8.082 -0.132 19513
83 1 . 1 1 672 672 TRP N N 672 121.536 121.536 121.459 0.077 19513
84 1 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.443 0.018 19513
85 1 . 1 1 672 672 TRP C C 672 176.785 176.785 177.287 -0.502 19513
86 1 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.235 -1.075 19513
87 1 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.015 -0.560 19513
88 1 . 1 1 672 672 TRP H H 672 7.895 7.895 7.624 0.271 19513
89 1 . 1 1 673 673 PHE N N 673 118.414 118.414 119.199 -0.785 19513
90 1 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.620 -0.339 19513
91 1 . 1 1 673 673 PHE C C 673 175.473 175.473 175.811 -0.338 19513
92 1 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.917 1.276 19513
93 1 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.897 1.478 19513
94 1 . 1 1 673 673 PHE H H 673 7.942 7.942 7.998 -0.056 19513
95 1 . 1 1 674 674 SER N N 674 114.868 114.868 119.932 -5.064 19513
96 1 . 1 1 674 674 SER HA H 674 4.362 4.362 4.642 -0.280 19513
97 1 . 1 1 674 674 SER C C 674 175.273 175.273 175.468 -0.195 19513
98 1 . 1 1 674 674 SER CA C 674 58.612 58.612 57.091 1.521 19513
99 1 . 1 1 674 674 SER CB C 674 63.602 63.602 62.482 1.120 19513
100 1 . 1 1 674 674 SER H H 674 7.698 7.698 8.429 -0.731 19513
101 1 . 1 1 675 675 ILE N N 675 121.205 121.205 123.930 -2.725 19513
102 1 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.125 -0.156 19513
103 1 . 1 1 675 675 ILE C C 675 176.696 176.696 177.567 -0.871 19513
104 1 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.634 -0.775 19513
105 1 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.194 1.222 19513
106 1 . 1 1 675 675 ILE H H 675 8.067 8.067 7.732 0.335 19513
107 1 . 1 1 676 676 THR N N 676 113.871 113.871 113.280 0.591 19513
108 1 . 1 1 676 676 THR HA H 676 3.934 3.934 3.957 -0.023 19513
109 1 . 1 1 676 676 THR C C 676 175.384 175.384 176.684 -1.300 19513
110 1 . 1 1 676 676 THR CA C 676 64.588 64.588 66.095 -1.507 19513
111 1 . 1 1 676 676 THR CB C 676 68.930 68.930 68.428 0.502 19513
112 1 . 1 1 676 676 THR H H 676 7.819 7.819 8.620 -0.801 19513
113 1 . 1 1 677 677 ASN N N 677 119.341 119.341 119.327 0.014 19513
114 1 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.725 -0.158 19513
115 1 . 1 1 677 677 ASN C C 677 175.940 175.940 176.868 -0.928 19513
116 1 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.568 -1.014 19513
117 1 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.935 -0.814 19513
118 1 . 1 1 677 677 ASN H H 677 7.989 7.989 8.047 -0.058 19513
119 1 . 1 1 678 678 TRP N N 678 119.377 119.377 119.724 -0.347 19513
120 1 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.638 -0.046 19513
121 1 . 1 1 678 678 TRP C C 678 176.785 176.785 177.830 -1.045 19513
122 1 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.056 -0.360 19513
123 1 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.745 -0.101 19513
124 1 . 1 1 678 678 TRP H H 678 7.792 7.792 8.212 -0.420 19513
125 1 . 1 1 679 679 LEU N N 679 117.934 117.934 120.171 -2.237 19513
126 1 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.198 0.796 19513
127 1 . 1 1 679 679 LEU C C 679 177.430 177.430 177.752 -0.322 19513
128 1 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.464 0.286 19513
129 1 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.185 0.575 19513
130 1 . 1 1 679 679 LEU H H 679 7.752 7.752 8.398 -0.646 19513
131 1 . 1 1 680 680 TRP N N 680 117.268 117.268 120.139 -2.871 19513
132 1 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.283 0.063 19513
133 1 . 1 1 680 680 TRP C C 680 176.340 176.340 176.902 -0.562 19513
134 1 . 1 1 680 680 TRP CA C 680 58.835 58.835 60.205 -1.370 19513
135 1 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.221 -0.033 19513
136 1 . 1 1 680 680 TRP H H 680 7.543 7.543 7.713 -0.170 19513
137 1 . 1 1 681 681 TYR N N 681 116.283 116.283 120.128 -3.845 19513
138 1 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.762 0.408 19513
139 1 . 1 1 681 681 TYR C C 681 175.607 175.607 175.970 -0.363 19513
140 1 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.970 -0.300 19513
141 1 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.893 0.224 19513
142 1 . 1 1 681 681 TYR H H 681 7.473 7.473 7.484 -0.011 19513
143 1 . 1 1 682 682 ILE N N 682 115.196 115.196 112.524 2.672 19513
144 1 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.054 0.131 19513
145 1 . 1 1 682 682 ILE C C 682 174.317 174.317 176.430 -2.113 19513
146 1 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.941 0.263 19513
147 1 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.196 -0.301 19513
148 1 . 1 1 682 682 ILE H H 682 7.483 7.483 7.114 0.369 19513
stop_
save_