data_19512
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19512
_Entry.PDB_ID 2ME1
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 19512
_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 GLN HA H 658 4.323 4.323 4.734 -0.411 19512
2 1 1 . 1 1 658 658 GLN C C 658 175.454 175.454 174.573 0.881 19512
3 1 1 . 1 1 658 658 GLN CA C 658 56.398 56.398 55.633 0.765 19512
4 1 1 . 1 1 658 658 GLN CB C 658 29.275 29.275 30.346 -1.071 19512
5 1 1 . 1 1 659 659 GLU N N 659 122.875 122.875 122.518 0.357 19512
6 1 1 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.461 -0.179 19512
7 1 1 . 1 1 659 659 GLU C C 659 176.491 176.491 176.871 -0.380 19512
8 1 1 . 1 1 659 659 GLU CA C 659 57.090 57.090 55.501 1.589 19512
9 1 1 . 1 1 659 659 GLU CB C 659 30.180 30.180 31.029 -0.849 19512
10 1 1 . 1 1 659 659 GLU H H 659 8.705 8.705 8.637 0.068 19512
11 1 1 . 1 1 660 660 LEU N N 660 122.615 122.615 120.272 2.343 19512
12 1 1 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.349 -0.046 19512
13 1 1 . 1 1 660 660 LEU C C 660 176.867 176.867 176.777 0.090 19512
14 1 1 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.560 0.316 19512
15 1 1 . 1 1 660 660 LEU CB C 660 42.573 42.573 41.940 0.633 19512
16 1 1 . 1 1 660 660 LEU H H 660 8.446 8.446 8.521 -0.075 19512
17 1 1 . 1 1 661 661 LEU N N 661 120.426 120.426 117.439 2.987 19512
18 1 1 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.492 -0.106 19512
19 1 1 . 1 1 661 661 LEU C C 661 176.745 176.745 177.308 -0.563 19512
20 1 1 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.690 0.292 19512
21 1 1 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.700 1.012 19512
22 1 1 . 1 1 661 661 LEU H H 661 8.083 8.083 7.798 0.285 19512
23 1 1 . 1 1 662 662 GLU N N 662 121.380 121.380 119.684 1.696 19512
24 1 1 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.402 -0.037 19512
25 1 1 . 1 1 662 662 GLU C C 662 176.785 176.785 177.606 -0.821 19512
26 1 1 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.943 0.483 19512
27 1 1 . 1 1 662 662 GLU CB C 662 29.979 29.979 30.718 -0.739 19512
28 1 1 . 1 1 662 662 GLU H H 662 8.290 8.290 7.553 0.737 19512
29 1 1 . 1 1 663 663 LEU N N 663 122.863 122.863 125.362 -2.499 19512
30 1 1 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.051 0.125 19512
31 1 1 . 1 1 663 663 LEU C C 663 177.682 177.682 178.437 -0.755 19512
32 1 1 . 1 1 663 663 LEU CA C 663 56.932 56.932 58.511 -1.579 19512
33 1 1 . 1 1 663 663 LEU CB C 663 42.377 42.377 41.962 0.415 19512
34 1 1 . 1 1 663 663 LEU H H 663 8.295 8.295 8.887 -0.592 19512
35 1 1 . 1 1 664 664 ASP N N 664 118.481 118.481 119.220 -0.739 19512
36 1 1 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.422 0.047 19512
37 1 1 . 1 1 664 664 ASP C C 664 177.764 177.764 179.088 -1.324 19512
38 1 1 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.902 -2.105 19512
39 1 1 . 1 1 664 664 ASP CB C 664 40.721 40.721 40.054 0.667 19512
40 1 1 . 1 1 664 664 ASP H H 664 8.524 8.524 8.590 -0.066 19512
41 1 1 . 1 1 665 665 LYS N N 665 120.499 120.499 119.202 1.297 19512
42 1 1 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.094 0.007 19512
43 1 1 . 1 1 665 665 LYS C C 665 177.845 177.845 179.224 -1.379 19512
44 1 1 . 1 1 665 665 LYS CA C 665 58.259 58.259 59.281 -1.022 19512
45 1 1 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.344 -0.049 19512
46 1 1 . 1 1 665 665 LYS H H 665 8.029 8.029 7.846 0.183 19512
47 1 1 . 1 1 666 666 TRP N N 666 119.813 119.813 119.196 0.617 19512
48 1 1 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.593 -0.063 19512
49 1 1 . 1 1 666 666 TRP C C 666 177.158 177.158 177.710 -0.552 19512
50 1 1 . 1 1 666 666 TRP CA C 666 58.936 58.936 59.777 -0.841 19512
51 1 1 . 1 1 666 666 TRP CB C 666 29.208 29.208 29.643 -0.435 19512
52 1 1 . 1 1 666 666 TRP H H 666 7.927 7.927 7.805 0.122 19512
53 1 1 . 1 1 667 667 ALA N N 667 121.451 121.451 122.774 -1.323 19512
54 1 1 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.169 -0.039 19512
55 1 1 . 1 1 667 667 ALA C C 667 180.006 180.006 179.409 0.597 19512
56 1 1 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.299 -0.132 19512
57 1 1 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.153 0.449 19512
58 1 1 . 1 1 667 667 ALA H H 667 8.166 8.166 8.381 -0.215 19512
59 1 1 . 1 1 668 668 SER N N 668 113.231 113.231 113.569 -0.338 19512
60 1 1 . 1 1 668 668 SER HA H 668 4.308 4.308 4.374 -0.066 19512
61 1 1 . 1 1 668 668 SER C C 668 176.031 176.031 176.630 -0.599 19512
62 1 1 . 1 1 668 668 SER CA C 668 61.301 61.301 61.473 -0.172 19512
63 1 1 . 1 1 668 668 SER CB C 668 63.049 63.049 63.109 -0.060 19512
64 1 1 . 1 1 668 668 SER H H 668 8.145 8.145 7.956 0.189 19512
65 1 1 . 1 1 669 669 LEU N N 669 122.954 122.954 122.623 0.331 19512
66 1 1 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.372 -0.198 19512
67 1 1 . 1 1 669 669 LEU C C 669 178.390 178.390 178.609 -0.219 19512
68 1 1 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.394 -0.514 19512
69 1 1 . 1 1 669 669 LEU CB C 669 41.912 41.912 41.887 0.025 19512
70 1 1 . 1 1 669 669 LEU H H 669 7.856 7.856 7.433 0.423 19512
71 1 1 . 1 1 670 670 TRP N N 670 118.401 118.401 120.515 -2.114 19512
72 1 1 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.348 0.210 19512
73 1 1 . 1 1 670 670 TRP C C 670 177.987 177.987 177.816 0.171 19512
74 1 1 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.196 -1.148 19512
75 1 1 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.549 -0.049 19512
76 1 1 . 1 1 670 670 TRP H H 670 8.058 8.058 7.764 0.294 19512
77 1 1 . 1 1 671 671 ALA N N 671 120.051 120.051 120.223 -0.172 19512
78 1 1 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.341 -0.250 19512
79 1 1 . 1 1 671 671 ALA C C 671 179.353 179.353 178.241 1.112 19512
80 1 1 . 1 1 671 671 ALA CA C 671 54.865 54.865 54.194 0.671 19512
81 1 1 . 1 1 671 671 ALA CB C 671 18.397 18.397 18.199 0.198 19512
82 1 1 . 1 1 671 671 ALA H H 671 8.022 8.022 7.791 0.231 19512
83 1 1 . 1 1 672 672 TRP N N 672 118.053 118.053 118.931 -0.878 19512
84 1 1 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.367 -0.036 19512
85 1 1 . 1 1 672 672 TRP C C 672 177.849 177.849 178.357 -0.508 19512
86 1 1 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.694 -0.368 19512
87 1 1 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.749 -0.484 19512
88 1 1 . 1 1 672 672 TRP H H 672 7.933 7.933 7.521 0.412 19512
89 1 1 . 1 1 673 673 PHE N N 673 118.403 118.403 118.193 0.210 19512
90 1 1 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.086 0.031 19512
91 1 1 . 1 1 673 673 PHE C C 673 176.493 176.493 176.717 -0.224 19512
92 1 1 . 1 1 673 673 PHE CA C 673 60.158 60.158 62.126 -1.968 19512
93 1 1 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.750 0.393 19512
94 1 1 . 1 1 673 673 PHE H H 673 8.156 8.156 7.939 0.217 19512
95 1 1 . 1 1 674 674 ALA N N 674 120.989 120.989 119.091 1.898 19512
96 1 1 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.294 -0.213 19512
97 1 1 . 1 1 674 674 ALA C C 674 178.757 178.757 178.179 0.578 19512
98 1 1 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.227 1.846 19512
99 1 1 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.545 -0.176 19512
100 1 1 . 1 1 674 674 ALA H H 674 7.894 7.894 7.961 -0.067 19512
101 1 1 . 1 1 675 675 ILE N N 675 116.059 116.059 121.425 -5.366 19512
102 1 1 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.016 -0.113 19512
103 1 1 . 1 1 675 675 ILE C C 675 176.905 176.905 175.367 1.538 19512
104 1 1 . 1 1 675 675 ILE CA C 675 63.030 63.030 61.258 1.772 19512
105 1 1 . 1 1 675 675 ILE CB C 675 38.441 38.441 35.154 3.287 19512
106 1 1 . 1 1 675 675 ILE H H 675 7.817 7.817 8.214 -0.397 19512
107 1 1 . 1 1 676 676 THR N N 676 113.208 113.208 114.405 -1.197 19512
108 1 1 . 1 1 676 676 THR HA H 676 3.879 3.879 4.014 -0.136 19512
109 1 1 . 1 1 676 676 THR C C 676 175.302 175.302 174.289 1.013 19512
110 1 1 . 1 1 676 676 THR CA C 676 64.650 64.650 61.526 3.124 19512
111 1 1 . 1 1 676 676 THR CB C 676 69.044 69.044 68.711 0.333 19512
112 1 1 . 1 1 676 676 THR H H 676 7.714 7.714 8.235 -0.521 19512
113 1 1 . 1 1 677 677 ASN N N 677 119.245 119.245 118.859 0.386 19512
114 1 1 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.770 -0.218 19512
115 1 1 . 1 1 677 677 ASN C C 677 175.961 175.961 176.137 -0.176 19512
116 1 1 . 1 1 677 677 ASN CA C 677 54.780 54.780 54.289 0.491 19512
117 1 1 . 1 1 677 677 ASN CB C 677 38.428 38.428 38.801 -0.373 19512
118 1 1 . 1 1 677 677 ASN H H 677 7.976 7.976 7.530 0.446 19512
119 1 1 . 1 1 678 678 TRP N N 678 119.308 119.308 116.876 2.432 19512
120 1 1 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.881 -0.301 19512
121 1 1 . 1 1 678 678 TRP C C 678 176.863 176.863 176.813 0.050 19512
122 1 1 . 1 1 678 678 TRP CA C 678 58.992 58.992 56.732 2.260 19512
123 1 1 . 1 1 678 678 TRP CB C 678 29.686 29.686 29.378 0.308 19512
124 1 1 . 1 1 678 678 TRP H H 678 7.801 7.801 7.265 0.536 19512
125 1 1 . 1 1 679 679 LEU N N 679 117.827 117.827 121.028 -3.201 19512
126 1 1 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.825 0.143 19512
127 1 1 . 1 1 679 679 LEU C C 679 177.391 177.391 178.871 -1.480 19512
128 1 1 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.417 -0.659 19512
129 1 1 . 1 1 679 679 LEU CB C 679 41.751 41.751 40.883 0.868 19512
130 1 1 . 1 1 679 679 LEU H H 679 7.769 7.769 6.863 0.906 19512
131 1 1 . 1 1 680 680 TRP N N 680 117.076 117.076 119.089 -2.013 19512
132 1 1 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.285 0.058 19512
133 1 1 . 1 1 680 680 TRP C C 680 176.337 176.337 177.081 -0.744 19512
134 1 1 . 1 1 680 680 TRP CA C 680 58.707 58.707 60.281 -1.574 19512
135 1 1 . 1 1 680 680 TRP CB C 680 29.231 29.231 29.540 -0.309 19512
136 1 1 . 1 1 680 680 TRP H H 680 7.531 7.531 7.852 -0.321 19512
137 1 1 . 1 1 681 681 TYR N N 681 116.306 116.306 117.557 -1.251 19512
138 1 1 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.388 -0.179 19512
139 1 1 . 1 1 681 681 TYR C C 681 175.629 175.629 175.993 -0.364 19512
140 1 1 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.127 -0.662 19512
141 1 1 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.160 -0.090 19512
142 1 1 . 1 1 681 681 TYR H H 681 7.460 7.460 7.564 -0.104 19512
143 1 1 . 1 1 682 682 ILE N N 682 115.813 115.813 119.941 -4.128 19512
144 1 1 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.281 -0.123 19512
145 1 1 . 1 1 682 682 ILE C C 682 174.365 174.365 174.903 -0.538 19512
146 1 1 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.285 0.994 19512
147 1 1 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.762 2.034 19512
148 1 1 . 1 1 682 682 ILE H H 682 7.495 7.495 7.603 -0.108 19512
149 1 2 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.515 -0.192 19512
150 1 2 . 1 1 658 658 GLN C C 658 175.454 175.454 174.915 0.539 19512
151 1 2 . 1 1 658 658 GLN CA C 658 56.398 56.398 55.714 0.684 19512
152 1 2 . 1 1 658 658 GLN CB C 658 29.275 29.275 29.833 -0.558 19512
153 1 2 . 1 1 659 659 GLU N N 659 122.875 122.875 124.128 -1.253 19512
154 1 2 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.555 -0.273 19512
155 1 2 . 1 1 659 659 GLU C C 659 176.491 176.491 176.381 0.110 19512
156 1 2 . 1 1 659 659 GLU CA C 659 57.090 57.090 55.717 1.373 19512
157 1 2 . 1 1 659 659 GLU CB C 659 30.180 30.180 29.717 0.463 19512
158 1 2 . 1 1 659 659 GLU H H 659 8.705 8.705 8.817 -0.112 19512
159 1 2 . 1 1 660 660 LEU N N 660 122.615 122.615 124.955 -2.340 19512
160 1 2 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.367 -0.064 19512
161 1 2 . 1 1 660 660 LEU C C 660 176.867 176.867 176.609 0.258 19512
162 1 2 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.177 0.699 19512
163 1 2 . 1 1 660 660 LEU CB C 660 42.573 42.573 41.893 0.680 19512
164 1 2 . 1 1 660 660 LEU H H 660 8.446 8.446 8.770 -0.324 19512
165 1 2 . 1 1 661 661 LEU N N 661 120.426 120.426 116.756 3.670 19512
166 1 2 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.522 -0.136 19512
167 1 2 . 1 1 661 661 LEU C C 661 176.745 176.745 177.310 -0.565 19512
168 1 2 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.483 0.499 19512
169 1 2 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.707 1.005 19512
170 1 2 . 1 1 661 661 LEU H H 661 8.083 8.083 7.886 0.197 19512
171 1 2 . 1 1 662 662 GLU N N 662 121.380 121.380 119.645 1.735 19512
172 1 2 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.503 -0.138 19512
173 1 2 . 1 1 662 662 GLU C C 662 176.785 176.785 177.239 -0.454 19512
174 1 2 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.431 0.995 19512
175 1 2 . 1 1 662 662 GLU CB C 662 29.979 29.979 31.086 -1.107 19512
176 1 2 . 1 1 662 662 GLU H H 662 8.290 8.290 7.523 0.767 19512
177 1 2 . 1 1 663 663 LEU N N 663 122.863 122.863 122.744 0.119 19512
178 1 2 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.211 -0.035 19512
179 1 2 . 1 1 663 663 LEU C C 663 177.682 177.682 178.107 -0.425 19512
180 1 2 . 1 1 663 663 LEU CA C 663 56.932 56.932 57.378 -0.446 19512
181 1 2 . 1 1 663 663 LEU CB C 663 42.377 42.377 42.038 0.339 19512
182 1 2 . 1 1 663 663 LEU H H 663 8.295 8.295 8.741 -0.446 19512
183 1 2 . 1 1 664 664 ASP N N 664 118.481 118.481 119.957 -1.476 19512
184 1 2 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.406 0.063 19512
185 1 2 . 1 1 664 664 ASP C C 664 177.764 177.764 178.600 -0.836 19512
186 1 2 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.571 -1.774 19512
187 1 2 . 1 1 664 664 ASP CB C 664 40.721 40.721 39.830 0.891 19512
188 1 2 . 1 1 664 664 ASP H H 664 8.524 8.524 8.391 0.133 19512
189 1 2 . 1 1 665 665 LYS N N 665 120.499 120.499 119.000 1.499 19512
190 1 2 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.045 0.056 19512
191 1 2 . 1 1 665 665 LYS C C 665 177.845 177.845 178.293 -0.448 19512
192 1 2 . 1 1 665 665 LYS CA C 665 58.259 58.259 59.036 -0.777 19512
193 1 2 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.493 -0.198 19512
194 1 2 . 1 1 665 665 LYS H H 665 8.029 8.029 8.299 -0.270 19512
195 1 2 . 1 1 666 666 TRP N N 666 119.813 119.813 117.858 1.955 19512
196 1 2 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.598 -0.068 19512
197 1 2 . 1 1 666 666 TRP C C 666 177.158 177.158 177.678 -0.520 19512
198 1 2 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.945 -0.009 19512
199 1 2 . 1 1 666 666 TRP CB C 666 29.208 29.208 29.884 -0.676 19512
200 1 2 . 1 1 666 666 TRP H H 666 7.927 7.927 7.510 0.417 19512
201 1 2 . 1 1 667 667 ALA N N 667 121.451 121.451 122.631 -1.180 19512
202 1 2 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.186 -0.056 19512
203 1 2 . 1 1 667 667 ALA C C 667 180.006 180.006 179.233 0.773 19512
204 1 2 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.206 -0.039 19512
205 1 2 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.087 0.515 19512
206 1 2 . 1 1 667 667 ALA H H 667 8.166 8.166 8.209 -0.043 19512
207 1 2 . 1 1 668 668 SER N N 668 113.231 113.231 113.422 -0.191 19512
208 1 2 . 1 1 668 668 SER HA H 668 4.308 4.308 4.360 -0.052 19512
209 1 2 . 1 1 668 668 SER C C 668 176.031 176.031 176.670 -0.639 19512
210 1 2 . 1 1 668 668 SER CA C 668 61.301 61.301 60.992 0.309 19512
211 1 2 . 1 1 668 668 SER CB C 668 63.049 63.049 63.196 -0.147 19512
212 1 2 . 1 1 668 668 SER H H 668 8.145 8.145 7.921 0.224 19512
213 1 2 . 1 1 669 669 LEU N N 669 122.954 122.954 123.112 -0.158 19512
214 1 2 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.335 -0.161 19512
215 1 2 . 1 1 669 669 LEU C C 669 178.390 178.390 178.142 0.248 19512
216 1 2 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.315 -0.435 19512
217 1 2 . 1 1 669 669 LEU CB C 669 41.912 41.912 42.122 -0.210 19512
218 1 2 . 1 1 669 669 LEU H H 669 7.856 7.856 7.528 0.328 19512
219 1 2 . 1 1 670 670 TRP N N 670 118.401 118.401 120.785 -2.384 19512
220 1 2 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.405 0.153 19512
221 1 2 . 1 1 670 670 TRP C C 670 177.987 177.987 178.047 -0.060 19512
222 1 2 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.532 -1.484 19512
223 1 2 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.866 -0.366 19512
224 1 2 . 1 1 670 670 TRP H H 670 8.058 8.058 7.732 0.326 19512
225 1 2 . 1 1 671 671 ALA N N 671 120.051 120.051 120.271 -0.220 19512
226 1 2 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.395 -0.304 19512
227 1 2 . 1 1 671 671 ALA C C 671 179.353 179.353 178.828 0.525 19512
228 1 2 . 1 1 671 671 ALA CA C 671 54.865 54.865 54.623 0.242 19512
229 1 2 . 1 1 671 671 ALA CB C 671 18.397 18.397 17.969 0.428 19512
230 1 2 . 1 1 671 671 ALA H H 671 8.022 8.022 7.916 0.106 19512
231 1 2 . 1 1 672 672 TRP N N 672 118.053 118.053 120.077 -2.024 19512
232 1 2 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.351 -0.020 19512
233 1 2 . 1 1 672 672 TRP C C 672 177.849 177.849 178.417 -0.568 19512
234 1 2 . 1 1 672 672 TRP CA C 672 60.326 60.326 61.227 -0.901 19512
235 1 2 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.450 -0.185 19512
236 1 2 . 1 1 672 672 TRP H H 672 7.933 7.933 7.462 0.471 19512
237 1 2 . 1 1 673 673 PHE N N 673 118.403 118.403 118.244 0.159 19512
238 1 2 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.189 -0.072 19512
239 1 2 . 1 1 673 673 PHE C C 673 176.493 176.493 176.946 -0.453 19512
240 1 2 . 1 1 673 673 PHE CA C 673 60.158 60.158 61.906 -1.748 19512
241 1 2 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.680 0.463 19512
242 1 2 . 1 1 673 673 PHE H H 673 8.156 8.156 7.801 0.355 19512
243 1 2 . 1 1 674 674 ALA N N 674 120.989 120.989 119.566 1.423 19512
244 1 2 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.346 -0.265 19512
245 1 2 . 1 1 674 674 ALA C C 674 178.757 178.757 178.212 0.545 19512
246 1 2 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.509 1.564 19512
247 1 2 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.524 -0.155 19512
248 1 2 . 1 1 674 674 ALA H H 674 7.894 7.894 8.002 -0.108 19512
249 1 2 . 1 1 675 675 ILE N N 675 116.059 116.059 120.320 -4.261 19512
250 1 2 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.046 -0.143 19512
251 1 2 . 1 1 675 675 ILE C C 675 176.905 176.905 175.330 1.575 19512
252 1 2 . 1 1 675 675 ILE CA C 675 63.030 63.030 61.199 1.831 19512
253 1 2 . 1 1 675 675 ILE CB C 675 38.441 38.441 35.849 2.592 19512
254 1 2 . 1 1 675 675 ILE H H 675 7.817 7.817 7.954 -0.137 19512
255 1 2 . 1 1 676 676 THR N N 676 113.208 113.208 118.514 -5.306 19512
256 1 2 . 1 1 676 676 THR HA H 676 3.879 3.879 4.015 -0.136 19512
257 1 2 . 1 1 676 676 THR C C 676 175.302 175.302 174.414 0.888 19512
258 1 2 . 1 1 676 676 THR CA C 676 64.650 64.650 62.082 2.568 19512
259 1 2 . 1 1 676 676 THR CB C 676 69.044 69.044 68.374 0.670 19512
260 1 2 . 1 1 676 676 THR H H 676 7.714 7.714 7.710 0.004 19512
261 1 2 . 1 1 677 677 ASN N N 677 119.245 119.245 118.223 1.022 19512
262 1 2 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.767 -0.215 19512
263 1 2 . 1 1 677 677 ASN C C 677 175.961 175.961 176.450 -0.489 19512
264 1 2 . 1 1 677 677 ASN CA C 677 54.780 54.780 54.079 0.701 19512
265 1 2 . 1 1 677 677 ASN CB C 677 38.428 38.428 38.810 -0.383 19512
266 1 2 . 1 1 677 677 ASN H H 677 7.976 7.976 7.481 0.495 19512
267 1 2 . 1 1 678 678 TRP N N 678 119.308 119.308 118.346 0.962 19512
268 1 2 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.844 -0.264 19512
269 1 2 . 1 1 678 678 TRP C C 678 176.863 176.863 176.754 0.109 19512
270 1 2 . 1 1 678 678 TRP CA C 678 58.992 58.992 57.381 1.611 19512
271 1 2 . 1 1 678 678 TRP CB C 678 29.686 29.686 28.759 0.927 19512
272 1 2 . 1 1 678 678 TRP H H 678 7.801 7.801 7.177 0.624 19512
273 1 2 . 1 1 679 679 LEU N N 679 117.827 117.827 121.180 -3.353 19512
274 1 2 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.792 0.176 19512
275 1 2 . 1 1 679 679 LEU C C 679 177.391 177.391 178.646 -1.255 19512
276 1 2 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.298 -0.540 19512
277 1 2 . 1 1 679 679 LEU CB C 679 41.751 41.751 41.135 0.616 19512
278 1 2 . 1 1 679 679 LEU H H 679 7.769 7.769 6.898 0.871 19512
279 1 2 . 1 1 680 680 TRP N N 680 117.076 117.076 119.890 -2.814 19512
280 1 2 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.374 -0.031 19512
281 1 2 . 1 1 680 680 TRP C C 680 176.337 176.337 176.755 -0.418 19512
282 1 2 . 1 1 680 680 TRP CA C 680 58.707 58.707 59.196 -0.489 19512
283 1 2 . 1 1 680 680 TRP CB C 680 29.231 29.231 28.645 0.586 19512
284 1 2 . 1 1 680 680 TRP H H 680 7.531 7.531 7.813 -0.282 19512
285 1 2 . 1 1 681 681 TYR N N 681 116.306 116.306 121.053 -4.747 19512
286 1 2 . 1 1 681 681 TYR HA H 681 4.209 4.209 3.122 1.087 19512
287 1 2 . 1 1 681 681 TYR C C 681 175.629 175.629 175.275 0.354 19512
288 1 2 . 1 1 681 681 TYR CA C 681 59.465 59.465 59.761 -0.297 19512
289 1 2 . 1 1 681 681 TYR CB C 681 39.070 39.070 38.762 0.308 19512
290 1 2 . 1 1 681 681 TYR H H 681 7.460 7.460 7.124 0.336 19512
291 1 2 . 1 1 682 682 ILE N N 682 115.813 115.813 119.295 -3.482 19512
292 1 2 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.102 0.056 19512
293 1 2 . 1 1 682 682 ILE C C 682 174.365 174.365 175.062 -0.697 19512
294 1 2 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.279 1.000 19512
295 1 2 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.863 1.933 19512
296 1 2 . 1 1 682 682 ILE H H 682 7.495 7.495 7.388 0.107 19512
297 1 3 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.550 -0.227 19512
298 1 3 . 1 1 658 658 GLN C C 658 175.454 175.454 174.981 0.473 19512
299 1 3 . 1 1 658 658 GLN CA C 658 56.398 56.398 54.988 1.410 19512
300 1 3 . 1 1 658 658 GLN CB C 658 29.275 29.275 30.158 -0.883 19512
301 1 3 . 1 1 659 659 GLU N N 659 122.875 122.875 119.784 3.091 19512
302 1 3 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.481 -0.199 19512
303 1 3 . 1 1 659 659 GLU C C 659 176.491 176.491 176.642 -0.151 19512
304 1 3 . 1 1 659 659 GLU CA C 659 57.090 57.090 55.921 1.169 19512
305 1 3 . 1 1 659 659 GLU CB C 659 30.180 30.180 30.843 -0.663 19512
306 1 3 . 1 1 659 659 GLU H H 659 8.705 8.705 8.658 0.047 19512
307 1 3 . 1 1 660 660 LEU N N 660 122.615 122.615 119.649 2.966 19512
308 1 3 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.408 -0.105 19512
309 1 3 . 1 1 660 660 LEU C C 660 176.867 176.867 176.900 -0.033 19512
310 1 3 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.340 0.536 19512
311 1 3 . 1 1 660 660 LEU CB C 660 42.573 42.573 42.205 0.368 19512
312 1 3 . 1 1 660 660 LEU H H 660 8.446 8.446 8.287 0.159 19512
313 1 3 . 1 1 661 661 LEU N N 661 120.426 120.426 117.369 3.057 19512
314 1 3 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.529 -0.143 19512
315 1 3 . 1 1 661 661 LEU C C 661 176.745 176.745 177.237 -0.492 19512
316 1 3 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.648 0.334 19512
317 1 3 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.861 0.851 19512
318 1 3 . 1 1 661 661 LEU H H 661 8.083 8.083 7.829 0.254 19512
319 1 3 . 1 1 662 662 GLU N N 662 121.380 121.380 119.301 2.079 19512
320 1 3 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.536 -0.171 19512
321 1 3 . 1 1 662 662 GLU C C 662 176.785 176.785 177.069 -0.284 19512
322 1 3 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.487 0.939 19512
323 1 3 . 1 1 662 662 GLU CB C 662 29.979 29.979 31.281 -1.302 19512
324 1 3 . 1 1 662 662 GLU H H 662 8.290 8.290 7.708 0.582 19512
325 1 3 . 1 1 663 663 LEU N N 663 122.863 122.863 124.120 -1.257 19512
326 1 3 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.220 -0.044 19512
327 1 3 . 1 1 663 663 LEU C C 663 177.682 177.682 178.213 -0.531 19512
328 1 3 . 1 1 663 663 LEU CA C 663 56.932 56.932 57.535 -0.603 19512
329 1 3 . 1 1 663 663 LEU CB C 663 42.377 42.377 42.082 0.295 19512
330 1 3 . 1 1 663 663 LEU H H 663 8.295 8.295 8.806 -0.511 19512
331 1 3 . 1 1 664 664 ASP N N 664 118.481 118.481 120.100 -1.619 19512
332 1 3 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.396 0.073 19512
333 1 3 . 1 1 664 664 ASP C C 664 177.764 177.764 178.386 -0.622 19512
334 1 3 . 1 1 664 664 ASP CA C 664 55.797 55.797 58.126 -2.329 19512
335 1 3 . 1 1 664 664 ASP CB C 664 40.721 40.721 40.667 0.054 19512
336 1 3 . 1 1 664 664 ASP H H 664 8.524 8.524 8.500 0.024 19512
337 1 3 . 1 1 665 665 LYS N N 665 120.499 120.499 118.273 2.226 19512
338 1 3 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.094 0.007 19512
339 1 3 . 1 1 665 665 LYS C C 665 177.845 177.845 178.312 -0.467 19512
340 1 3 . 1 1 665 665 LYS CA C 665 58.259 58.259 58.784 -0.525 19512
341 1 3 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.241 0.054 19512
342 1 3 . 1 1 665 665 LYS H H 665 8.029 8.029 8.176 -0.147 19512
343 1 3 . 1 1 666 666 TRP N N 666 119.813 119.813 118.223 1.590 19512
344 1 3 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.647 -0.117 19512
345 1 3 . 1 1 666 666 TRP C C 666 177.158 177.158 177.436 -0.278 19512
346 1 3 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.810 0.126 19512
347 1 3 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.029 -0.821 19512
348 1 3 . 1 1 666 666 TRP H H 666 7.927 7.927 7.602 0.325 19512
349 1 3 . 1 1 667 667 ALA N N 667 121.451 121.451 122.638 -1.187 19512
350 1 3 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.184 -0.054 19512
351 1 3 . 1 1 667 667 ALA C C 667 180.006 180.006 179.178 0.828 19512
352 1 3 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.219 -0.052 19512
353 1 3 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.046 0.556 19512
354 1 3 . 1 1 667 667 ALA H H 667 8.166 8.166 8.222 -0.056 19512
355 1 3 . 1 1 668 668 SER N N 668 113.231 113.231 113.484 -0.253 19512
356 1 3 . 1 1 668 668 SER HA H 668 4.308 4.308 4.340 -0.032 19512
357 1 3 . 1 1 668 668 SER C C 668 176.031 176.031 176.747 -0.716 19512
358 1 3 . 1 1 668 668 SER CA C 668 61.301 61.301 60.932 0.369 19512
359 1 3 . 1 1 668 668 SER CB C 668 63.049 63.049 63.229 -0.180 19512
360 1 3 . 1 1 668 668 SER H H 668 8.145 8.145 7.917 0.228 19512
361 1 3 . 1 1 669 669 LEU N N 669 122.954 122.954 123.211 -0.257 19512
362 1 3 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.392 -0.218 19512
363 1 3 . 1 1 669 669 LEU C C 669 178.390 178.390 178.176 0.214 19512
364 1 3 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.417 -0.537 19512
365 1 3 . 1 1 669 669 LEU CB C 669 41.912 41.912 42.152 -0.240 19512
366 1 3 . 1 1 669 669 LEU H H 669 7.856 7.856 7.530 0.326 19512
367 1 3 . 1 1 670 670 TRP N N 670 118.401 118.401 120.858 -2.457 19512
368 1 3 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.394 0.164 19512
369 1 3 . 1 1 670 670 TRP C C 670 177.987 177.987 178.037 -0.050 19512
370 1 3 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.644 -1.596 19512
371 1 3 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.819 -0.319 19512
372 1 3 . 1 1 670 670 TRP H H 670 8.058 8.058 7.789 0.269 19512
373 1 3 . 1 1 671 671 ALA N N 671 120.051 120.051 120.677 -0.626 19512
374 1 3 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.311 -0.220 19512
375 1 3 . 1 1 671 671 ALA C C 671 179.353 179.353 178.035 1.318 19512
376 1 3 . 1 1 671 671 ALA CA C 671 54.865 54.865 54.592 0.273 19512
377 1 3 . 1 1 671 671 ALA CB C 671 18.397 18.397 17.978 0.419 19512
378 1 3 . 1 1 671 671 ALA H H 671 8.022 8.022 7.866 0.156 19512
379 1 3 . 1 1 672 672 TRP N N 672 118.053 118.053 118.496 -0.443 19512
380 1 3 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.309 0.022 19512
381 1 3 . 1 1 672 672 TRP C C 672 177.849 177.849 178.649 -0.800 19512
382 1 3 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.434 -0.108 19512
383 1 3 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.566 -0.301 19512
384 1 3 . 1 1 672 672 TRP H H 672 7.933 7.933 7.392 0.541 19512
385 1 3 . 1 1 673 673 PHE N N 673 118.403 118.403 118.192 0.211 19512
386 1 3 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.186 -0.069 19512
387 1 3 . 1 1 673 673 PHE C C 673 176.493 176.493 176.797 -0.304 19512
388 1 3 . 1 1 673 673 PHE CA C 673 60.158 60.158 61.720 -1.562 19512
389 1 3 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.669 0.474 19512
390 1 3 . 1 1 673 673 PHE H H 673 8.156 8.156 7.836 0.320 19512
391 1 3 . 1 1 674 674 ALA N N 674 120.989 120.989 119.506 1.483 19512
392 1 3 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.351 -0.270 19512
393 1 3 . 1 1 674 674 ALA C C 674 178.757 178.757 178.349 0.408 19512
394 1 3 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.274 1.799 19512
395 1 3 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.592 -0.223 19512
396 1 3 . 1 1 674 674 ALA H H 674 7.894 7.894 7.677 0.217 19512
397 1 3 . 1 1 675 675 ILE N N 675 116.059 116.059 120.595 -4.536 19512
398 1 3 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.025 -0.122 19512
399 1 3 . 1 1 675 675 ILE C C 675 176.905 176.905 175.116 1.789 19512
400 1 3 . 1 1 675 675 ILE CA C 675 63.030 63.030 61.325 1.706 19512
401 1 3 . 1 1 675 675 ILE CB C 675 38.441 38.441 34.944 3.497 19512
402 1 3 . 1 1 675 675 ILE H H 675 7.817 7.817 8.029 -0.212 19512
403 1 3 . 1 1 676 676 THR N N 676 113.208 113.208 117.363 -4.155 19512
404 1 3 . 1 1 676 676 THR HA H 676 3.879 3.879 3.960 -0.081 19512
405 1 3 . 1 1 676 676 THR C C 676 175.302 175.302 174.790 0.512 19512
406 1 3 . 1 1 676 676 THR CA C 676 64.650 64.650 62.296 2.354 19512
407 1 3 . 1 1 676 676 THR CB C 676 69.044 69.044 68.794 0.250 19512
408 1 3 . 1 1 676 676 THR H H 676 7.714 7.714 8.434 -0.720 19512
409 1 3 . 1 1 677 677 ASN N N 677 119.245 119.245 120.101 -0.856 19512
410 1 3 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.680 -0.128 19512
411 1 3 . 1 1 677 677 ASN C C 677 175.961 175.961 176.324 -0.363 19512
412 1 3 . 1 1 677 677 ASN CA C 677 54.780 54.780 54.607 0.173 19512
413 1 3 . 1 1 677 677 ASN CB C 677 38.428 38.428 38.193 0.235 19512
414 1 3 . 1 1 677 677 ASN H H 677 7.976 7.976 8.523 -0.547 19512
415 1 3 . 1 1 678 678 TRP N N 678 119.308 119.308 117.319 1.989 19512
416 1 3 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.914 -0.334 19512
417 1 3 . 1 1 678 678 TRP C C 678 176.863 176.863 177.407 -0.544 19512
418 1 3 . 1 1 678 678 TRP CA C 678 58.992 58.992 57.748 1.244 19512
419 1 3 . 1 1 678 678 TRP CB C 678 29.686 29.686 29.059 0.627 19512
420 1 3 . 1 1 678 678 TRP H H 678 7.801 7.801 7.385 0.416 19512
421 1 3 . 1 1 679 679 LEU N N 679 117.827 117.827 120.689 -2.862 19512
422 1 3 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.679 0.289 19512
423 1 3 . 1 1 679 679 LEU C C 679 177.391 177.391 178.645 -1.254 19512
424 1 3 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.341 -0.583 19512
425 1 3 . 1 1 679 679 LEU CB C 679 41.751 41.751 41.014 0.737 19512
426 1 3 . 1 1 679 679 LEU H H 679 7.769 7.769 6.971 0.798 19512
427 1 3 . 1 1 680 680 TRP N N 680 117.076 117.076 120.334 -3.258 19512
428 1 3 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.314 0.029 19512
429 1 3 . 1 1 680 680 TRP C C 680 176.337 176.337 177.580 -1.243 19512
430 1 3 . 1 1 680 680 TRP CA C 680 58.707 58.707 61.141 -2.434 19512
431 1 3 . 1 1 680 680 TRP CB C 680 29.231 29.231 29.360 -0.129 19512
432 1 3 . 1 1 680 680 TRP H H 680 7.531 7.531 8.046 -0.515 19512
433 1 3 . 1 1 681 681 TYR N N 681 116.306 116.306 119.102 -2.796 19512
434 1 3 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.358 -0.149 19512
435 1 3 . 1 1 681 681 TYR C C 681 175.629 175.629 176.067 -0.438 19512
436 1 3 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.514 -1.050 19512
437 1 3 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.111 -0.041 19512
438 1 3 . 1 1 681 681 TYR H H 681 7.460 7.460 7.659 -0.199 19512
439 1 3 . 1 1 682 682 ILE N N 682 115.813 115.813 119.027 -3.214 19512
440 1 3 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.268 -0.110 19512
441 1 3 . 1 1 682 682 ILE C C 682 174.365 174.365 174.991 -0.626 19512
442 1 3 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.350 0.929 19512
443 1 3 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.807 1.989 19512
444 1 3 . 1 1 682 682 ILE H H 682 7.495 7.495 7.568 -0.073 19512
445 1 4 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.511 -0.188 19512
446 1 4 . 1 1 658 658 GLN C C 658 175.454 175.454 174.629 0.825 19512
447 1 4 . 1 1 658 658 GLN CA C 658 56.398 56.398 54.896 1.502 19512
448 1 4 . 1 1 658 658 GLN CB C 658 29.275 29.275 30.519 -1.244 19512
449 1 4 . 1 1 659 659 GLU N N 659 122.875 122.875 121.526 1.349 19512
450 1 4 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.214 0.068 19512
451 1 4 . 1 1 659 659 GLU C C 659 176.491 176.491 177.086 -0.595 19512
452 1 4 . 1 1 659 659 GLU CA C 659 57.090 57.090 57.072 0.018 19512
453 1 4 . 1 1 659 659 GLU CB C 659 30.180 30.180 29.001 1.179 19512
454 1 4 . 1 1 659 659 GLU H H 659 8.705 8.705 8.775 -0.070 19512
455 1 4 . 1 1 660 660 LEU N N 660 122.615 122.615 124.432 -1.817 19512
456 1 4 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.341 -0.038 19512
457 1 4 . 1 1 660 660 LEU C C 660 176.867 176.867 176.567 0.300 19512
458 1 4 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.236 0.639 19512
459 1 4 . 1 1 660 660 LEU CB C 660 42.573 42.573 42.043 0.530 19512
460 1 4 . 1 1 660 660 LEU H H 660 8.446 8.446 8.366 0.080 19512
461 1 4 . 1 1 661 661 LEU N N 661 120.426 120.426 116.943 3.483 19512
462 1 4 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.550 -0.164 19512
463 1 4 . 1 1 661 661 LEU C C 661 176.745 176.745 177.368 -0.623 19512
464 1 4 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.478 0.504 19512
465 1 4 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.760 0.952 19512
466 1 4 . 1 1 661 661 LEU H H 661 8.083 8.083 7.762 0.321 19512
467 1 4 . 1 1 662 662 GLU N N 662 121.380 121.380 119.935 1.445 19512
468 1 4 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.399 -0.034 19512
469 1 4 . 1 1 662 662 GLU C C 662 176.785 176.785 177.618 -0.833 19512
470 1 4 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.915 0.511 19512
471 1 4 . 1 1 662 662 GLU CB C 662 29.979 29.979 30.800 -0.821 19512
472 1 4 . 1 1 662 662 GLU H H 662 8.290 8.290 7.548 0.742 19512
473 1 4 . 1 1 663 663 LEU N N 663 122.863 122.863 123.782 -0.919 19512
474 1 4 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.173 0.003 19512
475 1 4 . 1 1 663 663 LEU C C 663 177.682 177.682 178.135 -0.453 19512
476 1 4 . 1 1 663 663 LEU CA C 663 56.932 56.932 57.667 -0.735 19512
477 1 4 . 1 1 663 663 LEU CB C 663 42.377 42.377 42.017 0.360 19512
478 1 4 . 1 1 663 663 LEU H H 663 8.295 8.295 8.766 -0.471 19512
479 1 4 . 1 1 664 664 ASP N N 664 118.481 118.481 120.106 -1.625 19512
480 1 4 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.451 0.018 19512
481 1 4 . 1 1 664 664 ASP C C 664 177.764 177.764 178.660 -0.896 19512
482 1 4 . 1 1 664 664 ASP CA C 664 55.797 55.797 58.068 -2.271 19512
483 1 4 . 1 1 664 664 ASP CB C 664 40.721 40.721 40.204 0.517 19512
484 1 4 . 1 1 664 664 ASP H H 664 8.524 8.524 8.560 -0.036 19512
485 1 4 . 1 1 665 665 LYS N N 665 120.499 120.499 118.875 1.624 19512
486 1 4 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.038 0.063 19512
487 1 4 . 1 1 665 665 LYS C C 665 177.845 177.845 178.262 -0.417 19512
488 1 4 . 1 1 665 665 LYS CA C 665 58.259 58.259 58.841 -0.582 19512
489 1 4 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.268 0.027 19512
490 1 4 . 1 1 665 665 LYS H H 665 8.029 8.029 8.079 -0.050 19512
491 1 4 . 1 1 666 666 TRP N N 666 119.813 119.813 118.254 1.559 19512
492 1 4 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.658 -0.128 19512
493 1 4 . 1 1 666 666 TRP C C 666 177.158 177.158 177.279 -0.121 19512
494 1 4 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.397 0.539 19512
495 1 4 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.278 -1.070 19512
496 1 4 . 1 1 666 666 TRP H H 666 7.927 7.927 7.552 0.375 19512
497 1 4 . 1 1 667 667 ALA N N 667 121.451 121.451 122.763 -1.312 19512
498 1 4 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.166 -0.036 19512
499 1 4 . 1 1 667 667 ALA C C 667 180.006 180.006 179.542 0.464 19512
500 1 4 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.139 0.028 19512
501 1 4 . 1 1 667 667 ALA CB C 667 18.602 18.602 17.977 0.625 19512
502 1 4 . 1 1 667 667 ALA H H 667 8.166 8.166 8.236 -0.070 19512
503 1 4 . 1 1 668 668 SER N N 668 113.231 113.231 113.640 -0.409 19512
504 1 4 . 1 1 668 668 SER HA H 668 4.308 4.308 4.386 -0.078 19512
505 1 4 . 1 1 668 668 SER C C 668 176.031 176.031 176.604 -0.573 19512
506 1 4 . 1 1 668 668 SER CA C 668 61.301 61.301 60.785 0.516 19512
507 1 4 . 1 1 668 668 SER CB C 668 63.049 63.049 63.207 -0.158 19512
508 1 4 . 1 1 668 668 SER H H 668 8.145 8.145 7.920 0.225 19512
509 1 4 . 1 1 669 669 LEU N N 669 122.954 122.954 122.717 0.237 19512
510 1 4 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.456 -0.282 19512
511 1 4 . 1 1 669 669 LEU C C 669 178.390 178.390 177.743 0.647 19512
512 1 4 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.316 -0.436 19512
513 1 4 . 1 1 669 669 LEU CB C 669 41.912 41.912 42.339 -0.427 19512
514 1 4 . 1 1 669 669 LEU H H 669 7.856 7.856 7.589 0.267 19512
515 1 4 . 1 1 670 670 TRP N N 670 118.401 118.401 120.820 -2.419 19512
516 1 4 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.244 0.314 19512
517 1 4 . 1 1 670 670 TRP C C 670 177.987 177.987 178.039 -0.052 19512
518 1 4 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.520 -1.472 19512
519 1 4 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.796 -0.296 19512
520 1 4 . 1 1 670 670 TRP H H 670 8.058 8.058 7.734 0.324 19512
521 1 4 . 1 1 671 671 ALA N N 671 120.051 120.051 120.375 -0.324 19512
522 1 4 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.336 -0.245 19512
523 1 4 . 1 1 671 671 ALA C C 671 179.353 179.353 178.089 1.264 19512
524 1 4 . 1 1 671 671 ALA CA C 671 54.865 54.865 54.335 0.530 19512
525 1 4 . 1 1 671 671 ALA CB C 671 18.397 18.397 18.088 0.308 19512
526 1 4 . 1 1 671 671 ALA H H 671 8.022 8.022 7.813 0.209 19512
527 1 4 . 1 1 672 672 TRP N N 672 118.053 118.053 118.857 -0.804 19512
528 1 4 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.395 -0.064 19512
529 1 4 . 1 1 672 672 TRP C C 672 177.849 177.849 178.524 -0.675 19512
530 1 4 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.339 -0.013 19512
531 1 4 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.851 -0.586 19512
532 1 4 . 1 1 672 672 TRP H H 672 7.933 7.933 7.461 0.472 19512
533 1 4 . 1 1 673 673 PHE N N 673 118.403 118.403 118.156 0.247 19512
534 1 4 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.160 -0.043 19512
535 1 4 . 1 1 673 673 PHE C C 673 176.493 176.493 176.778 -0.285 19512
536 1 4 . 1 1 673 673 PHE CA C 673 60.158 60.158 62.021 -1.863 19512
537 1 4 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.776 0.367 19512
538 1 4 . 1 1 673 673 PHE H H 673 8.156 8.156 8.107 0.049 19512
539 1 4 . 1 1 674 674 ALA N N 674 120.989 120.989 119.616 1.373 19512
540 1 4 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.479 -0.398 19512
541 1 4 . 1 1 674 674 ALA C C 674 178.757 178.757 177.670 1.087 19512
542 1 4 . 1 1 674 674 ALA CA C 674 54.073 54.073 51.915 2.158 19512
543 1 4 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.711 -0.342 19512
544 1 4 . 1 1 674 674 ALA H H 674 7.894 7.894 8.077 -0.183 19512
545 1 4 . 1 1 675 675 ILE N N 675 116.059 116.059 116.745 -0.686 19512
546 1 4 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.157 -0.254 19512
547 1 4 . 1 1 675 675 ILE C C 675 176.905 176.905 175.157 1.748 19512
548 1 4 . 1 1 675 675 ILE CA C 675 63.030 63.030 61.177 1.853 19512
549 1 4 . 1 1 675 675 ILE CB C 675 38.441 38.441 35.754 2.687 19512
550 1 4 . 1 1 675 675 ILE H H 675 7.817 7.817 8.280 -0.463 19512
551 1 4 . 1 1 676 676 THR N N 676 113.208 113.208 118.377 -5.169 19512
552 1 4 . 1 1 676 676 THR HA H 676 3.879 3.879 3.897 -0.018 19512
553 1 4 . 1 1 676 676 THR C C 676 175.302 175.302 174.899 0.403 19512
554 1 4 . 1 1 676 676 THR CA C 676 64.650 64.650 62.424 2.226 19512
555 1 4 . 1 1 676 676 THR CB C 676 69.044 69.044 68.218 0.826 19512
556 1 4 . 1 1 676 676 THR H H 676 7.714 7.714 8.225 -0.511 19512
557 1 4 . 1 1 677 677 ASN N N 677 119.245 119.245 120.510 -1.265 19512
558 1 4 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.731 -0.179 19512
559 1 4 . 1 1 677 677 ASN C C 677 175.961 175.961 176.342 -0.381 19512
560 1 4 . 1 1 677 677 ASN CA C 677 54.780 54.780 54.699 0.081 19512
561 1 4 . 1 1 677 677 ASN CB C 677 38.428 38.428 38.429 -0.001 19512
562 1 4 . 1 1 677 677 ASN H H 677 7.976 7.976 8.499 -0.523 19512
563 1 4 . 1 1 678 678 TRP N N 678 119.308 119.308 117.319 1.989 19512
564 1 4 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.890 -0.310 19512
565 1 4 . 1 1 678 678 TRP C C 678 176.863 176.863 177.431 -0.568 19512
566 1 4 . 1 1 678 678 TRP CA C 678 58.992 58.992 57.778 1.214 19512
567 1 4 . 1 1 678 678 TRP CB C 678 29.686 29.686 29.018 0.668 19512
568 1 4 . 1 1 678 678 TRP H H 678 7.801 7.801 7.348 0.453 19512
569 1 4 . 1 1 679 679 LEU N N 679 117.827 117.827 120.615 -2.788 19512
570 1 4 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.612 0.356 19512
571 1 4 . 1 1 679 679 LEU C C 679 177.391 177.391 178.586 -1.195 19512
572 1 4 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.298 -0.540 19512
573 1 4 . 1 1 679 679 LEU CB C 679 41.751 41.751 40.934 0.817 19512
574 1 4 . 1 1 679 679 LEU H H 679 7.769 7.769 6.999 0.770 19512
575 1 4 . 1 1 680 680 TRP N N 680 117.076 117.076 119.370 -2.294 19512
576 1 4 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.317 0.026 19512
577 1 4 . 1 1 680 680 TRP C C 680 176.337 176.337 177.837 -1.500 19512
578 1 4 . 1 1 680 680 TRP CA C 680 58.707 58.707 60.527 -1.820 19512
579 1 4 . 1 1 680 680 TRP CB C 680 29.231 29.231 29.284 -0.053 19512
580 1 4 . 1 1 680 680 TRP H H 680 7.531 7.531 8.026 -0.495 19512
581 1 4 . 1 1 681 681 TYR N N 681 116.306 116.306 119.573 -3.267 19512
582 1 4 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.354 -0.145 19512
583 1 4 . 1 1 681 681 TYR C C 681 175.629 175.629 175.983 -0.354 19512
584 1 4 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.314 -0.849 19512
585 1 4 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.112 -0.042 19512
586 1 4 . 1 1 681 681 TYR H H 681 7.460 7.460 7.550 -0.090 19512
587 1 4 . 1 1 682 682 ILE N N 682 115.813 115.813 119.170 -3.357 19512
588 1 4 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.271 -0.113 19512
589 1 4 . 1 1 682 682 ILE C C 682 174.365 174.365 175.145 -0.780 19512
590 1 4 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.268 1.011 19512
591 1 4 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.849 1.947 19512
592 1 4 . 1 1 682 682 ILE H H 682 7.495 7.495 7.586 -0.091 19512
593 1 5 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.515 -0.192 19512
594 1 5 . 1 1 658 658 GLN C C 658 175.454 175.454 175.084 0.370 19512
595 1 5 . 1 1 658 658 GLN CA C 658 56.398 56.398 55.491 0.907 19512
596 1 5 . 1 1 658 658 GLN CB C 658 29.275 29.275 29.984 -0.709 19512
597 1 5 . 1 1 659 659 GLU N N 659 122.875 122.875 121.553 1.322 19512
598 1 5 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.338 -0.056 19512
599 1 5 . 1 1 659 659 GLU C C 659 176.491 176.491 177.038 -0.547 19512
600 1 5 . 1 1 659 659 GLU CA C 659 57.090 57.090 55.737 1.353 19512
601 1 5 . 1 1 659 659 GLU CB C 659 30.180 30.180 30.039 0.141 19512
602 1 5 . 1 1 659 659 GLU H H 659 8.705 8.705 8.538 0.167 19512
603 1 5 . 1 1 660 660 LEU N N 660 122.615 122.615 118.305 4.310 19512
604 1 5 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.230 0.073 19512
605 1 5 . 1 1 660 660 LEU C C 660 176.867 176.867 176.903 -0.036 19512
606 1 5 . 1 1 660 660 LEU CA C 660 55.876 55.876 54.783 1.093 19512
607 1 5 . 1 1 660 660 LEU CB C 660 42.573 42.573 41.735 0.838 19512
608 1 5 . 1 1 660 660 LEU H H 660 8.446 8.446 8.236 0.210 19512
609 1 5 . 1 1 661 661 LEU N N 661 120.426 120.426 114.305 6.121 19512
610 1 5 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.529 -0.143 19512
611 1 5 . 1 1 661 661 LEU C C 661 176.745 176.745 176.416 0.329 19512
612 1 5 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.845 0.137 19512
613 1 5 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.099 1.613 19512
614 1 5 . 1 1 661 661 LEU H H 661 8.083 8.083 7.692 0.391 19512
615 1 5 . 1 1 662 662 GLU N N 662 121.380 121.380 119.149 2.231 19512
616 1 5 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.545 -0.180 19512
617 1 5 . 1 1 662 662 GLU C C 662 176.785 176.785 176.819 -0.034 19512
618 1 5 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.375 1.051 19512
619 1 5 . 1 1 662 662 GLU CB C 662 29.979 29.979 31.622 -1.643 19512
620 1 5 . 1 1 662 662 GLU H H 662 8.290 8.290 7.547 0.743 19512
621 1 5 . 1 1 663 663 LEU N N 663 122.863 122.863 122.682 0.181 19512
622 1 5 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.100 0.076 19512
623 1 5 . 1 1 663 663 LEU C C 663 177.682 177.682 178.501 -0.819 19512
624 1 5 . 1 1 663 663 LEU CA C 663 56.932 56.932 59.259 -2.327 19512
625 1 5 . 1 1 663 663 LEU CB C 663 42.377 42.377 42.052 0.325 19512
626 1 5 . 1 1 663 663 LEU H H 663 8.295 8.295 8.808 -0.513 19512
627 1 5 . 1 1 664 664 ASP N N 664 118.481 118.481 117.721 0.760 19512
628 1 5 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.325 0.144 19512
629 1 5 . 1 1 664 664 ASP C C 664 177.764 177.764 178.351 -0.587 19512
630 1 5 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.177 -1.380 19512
631 1 5 . 1 1 664 664 ASP CB C 664 40.721 40.721 39.766 0.955 19512
632 1 5 . 1 1 664 664 ASP H H 664 8.524 8.524 8.828 -0.304 19512
633 1 5 . 1 1 665 665 LYS N N 665 120.499 120.499 119.815 0.684 19512
634 1 5 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.068 0.033 19512
635 1 5 . 1 1 665 665 LYS C C 665 177.845 177.845 178.155 -0.310 19512
636 1 5 . 1 1 665 665 LYS CA C 665 58.259 58.259 58.740 -0.481 19512
637 1 5 . 1 1 665 665 LYS CB C 665 32.295 32.295 31.874 0.421 19512
638 1 5 . 1 1 665 665 LYS H H 665 8.029 8.029 8.351 -0.322 19512
639 1 5 . 1 1 666 666 TRP N N 666 119.813 119.813 118.810 1.003 19512
640 1 5 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.585 -0.055 19512
641 1 5 . 1 1 666 666 TRP C C 666 177.158 177.158 177.663 -0.505 19512
642 1 5 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.963 -0.027 19512
643 1 5 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.108 -0.900 19512
644 1 5 . 1 1 666 666 TRP H H 666 7.927 7.927 8.076 -0.149 19512
645 1 5 . 1 1 667 667 ALA N N 667 121.451 121.451 122.430 -0.979 19512
646 1 5 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.153 -0.023 19512
647 1 5 . 1 1 667 667 ALA C C 667 180.006 180.006 179.235 0.771 19512
648 1 5 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.227 -0.060 19512
649 1 5 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.142 0.459 19512
650 1 5 . 1 1 667 667 ALA H H 667 8.166 8.166 7.787 0.379 19512
651 1 5 . 1 1 668 668 SER N N 668 113.231 113.231 113.657 -0.426 19512
652 1 5 . 1 1 668 668 SER HA H 668 4.308 4.308 4.330 -0.022 19512
653 1 5 . 1 1 668 668 SER C C 668 176.031 176.031 176.772 -0.741 19512
654 1 5 . 1 1 668 668 SER CA C 668 61.301 61.301 60.956 0.345 19512
655 1 5 . 1 1 668 668 SER CB C 668 63.049 63.049 63.169 -0.120 19512
656 1 5 . 1 1 668 668 SER H H 668 8.145 8.145 7.891 0.254 19512
657 1 5 . 1 1 669 669 LEU N N 669 122.954 122.954 122.754 0.200 19512
658 1 5 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.284 -0.110 19512
659 1 5 . 1 1 669 669 LEU C C 669 178.390 178.390 178.527 -0.137 19512
660 1 5 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.464 -0.584 19512
661 1 5 . 1 1 669 669 LEU CB C 669 41.912 41.912 41.979 -0.067 19512
662 1 5 . 1 1 669 669 LEU H H 669 7.856 7.856 7.502 0.354 19512
663 1 5 . 1 1 670 670 TRP N N 670 118.401 118.401 120.488 -2.087 19512
664 1 5 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.419 0.139 19512
665 1 5 . 1 1 670 670 TRP C C 670 177.987 177.987 177.794 0.193 19512
666 1 5 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.086 -1.038 19512
667 1 5 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.627 -0.127 19512
668 1 5 . 1 1 670 670 TRP H H 670 8.058 8.058 7.729 0.329 19512
669 1 5 . 1 1 671 671 ALA N N 671 120.051 120.051 120.352 -0.301 19512
670 1 5 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.404 -0.313 19512
671 1 5 . 1 1 671 671 ALA C C 671 179.353 179.353 178.827 0.526 19512
672 1 5 . 1 1 671 671 ALA CA C 671 54.865 54.865 54.651 0.214 19512
673 1 5 . 1 1 671 671 ALA CB C 671 18.397 18.397 17.944 0.453 19512
674 1 5 . 1 1 671 671 ALA H H 671 8.022 8.022 7.805 0.217 19512
675 1 5 . 1 1 672 672 TRP N N 672 118.053 118.053 119.996 -1.943 19512
676 1 5 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.357 -0.026 19512
677 1 5 . 1 1 672 672 TRP C C 672 177.849 177.849 178.437 -0.588 19512
678 1 5 . 1 1 672 672 TRP CA C 672 60.326 60.326 61.253 -0.927 19512
679 1 5 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.392 -0.127 19512
680 1 5 . 1 1 672 672 TRP H H 672 7.933 7.933 7.463 0.470 19512
681 1 5 . 1 1 673 673 PHE N N 673 118.403 118.403 118.593 -0.190 19512
682 1 5 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.152 -0.035 19512
683 1 5 . 1 1 673 673 PHE C C 673 176.493 176.493 177.373 -0.880 19512
684 1 5 . 1 1 673 673 PHE CA C 673 60.158 60.158 61.898 -1.740 19512
685 1 5 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.696 0.447 19512
686 1 5 . 1 1 673 673 PHE H H 673 8.156 8.156 7.797 0.359 19512
687 1 5 . 1 1 674 674 ALA N N 674 120.989 120.989 119.188 1.801 19512
688 1 5 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.322 -0.241 19512
689 1 5 . 1 1 674 674 ALA C C 674 178.757 178.757 177.948 0.809 19512
690 1 5 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.395 1.677 19512
691 1 5 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.436 -0.068 19512
692 1 5 . 1 1 674 674 ALA H H 674 7.894 7.894 8.081 -0.187 19512
693 1 5 . 1 1 675 675 ILE N N 675 116.059 116.059 121.085 -5.026 19512
694 1 5 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.172 -0.269 19512
695 1 5 . 1 1 675 675 ILE C C 675 176.905 176.905 176.177 0.728 19512
696 1 5 . 1 1 675 675 ILE CA C 675 63.030 63.030 60.379 2.651 19512
697 1 5 . 1 1 675 675 ILE CB C 675 38.441 38.441 35.978 2.463 19512
698 1 5 . 1 1 675 675 ILE H H 675 7.817 7.817 8.167 -0.350 19512
699 1 5 . 1 1 676 676 THR N N 676 113.208 113.208 119.718 -6.510 19512
700 1 5 . 1 1 676 676 THR HA H 676 3.879 3.879 3.943 -0.064 19512
701 1 5 . 1 1 676 676 THR C C 676 175.302 175.302 174.325 0.977 19512
702 1 5 . 1 1 676 676 THR CA C 676 64.650 64.650 62.095 2.555 19512
703 1 5 . 1 1 676 676 THR CB C 676 69.044 69.044 66.925 2.119 19512
704 1 5 . 1 1 676 676 THR H H 676 7.714 7.714 8.102 -0.388 19512
705 1 5 . 1 1 677 677 ASN N N 677 119.245 119.245 118.942 0.303 19512
706 1 5 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.846 -0.294 19512
707 1 5 . 1 1 677 677 ASN C C 677 175.961 175.961 175.965 -0.004 19512
708 1 5 . 1 1 677 677 ASN CA C 677 54.780 54.780 54.556 0.224 19512
709 1 5 . 1 1 677 677 ASN CB C 677 38.428 38.428 39.288 -0.860 19512
710 1 5 . 1 1 677 677 ASN H H 677 7.976 7.976 8.287 -0.311 19512
711 1 5 . 1 1 678 678 TRP N N 678 119.308 119.308 117.343 1.965 19512
712 1 5 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.842 -0.262 19512
713 1 5 . 1 1 678 678 TRP C C 678 176.863 176.863 177.109 -0.246 19512
714 1 5 . 1 1 678 678 TRP CA C 678 58.992 58.992 57.297 1.695 19512
715 1 5 . 1 1 678 678 TRP CB C 678 29.686 29.686 29.365 0.321 19512
716 1 5 . 1 1 678 678 TRP H H 678 7.801 7.801 7.102 0.699 19512
717 1 5 . 1 1 679 679 LEU N N 679 117.827 117.827 120.610 -2.783 19512
718 1 5 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.825 0.143 19512
719 1 5 . 1 1 679 679 LEU C C 679 177.391 177.391 179.086 -1.695 19512
720 1 5 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.455 -0.697 19512
721 1 5 . 1 1 679 679 LEU CB C 679 41.751 41.751 40.854 0.897 19512
722 1 5 . 1 1 679 679 LEU H H 679 7.769 7.769 7.192 0.577 19512
723 1 5 . 1 1 680 680 TRP N N 680 117.076 117.076 119.096 -2.020 19512
724 1 5 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.310 0.033 19512
725 1 5 . 1 1 680 680 TRP C C 680 176.337 176.337 177.215 -0.878 19512
726 1 5 . 1 1 680 680 TRP CA C 680 58.707 58.707 60.423 -1.716 19512
727 1 5 . 1 1 680 680 TRP CB C 680 29.231 29.231 29.439 -0.208 19512
728 1 5 . 1 1 680 680 TRP H H 680 7.531 7.531 7.868 -0.337 19512
729 1 5 . 1 1 681 681 TYR N N 681 116.306 116.306 116.798 -0.492 19512
730 1 5 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.429 -0.220 19512
731 1 5 . 1 1 681 681 TYR C C 681 175.629 175.629 176.217 -0.588 19512
732 1 5 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.663 -1.198 19512
733 1 5 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.362 -0.292 19512
734 1 5 . 1 1 681 681 TYR H H 681 7.460 7.460 7.706 -0.246 19512
735 1 5 . 1 1 682 682 ILE N N 682 115.813 115.813 119.211 -3.398 19512
736 1 5 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.226 -0.068 19512
737 1 5 . 1 1 682 682 ILE C C 682 174.365 174.365 175.326 -0.961 19512
738 1 5 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.436 0.843 19512
739 1 5 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.818 1.978 19512
740 1 5 . 1 1 682 682 ILE H H 682 7.495 7.495 7.557 -0.062 19512
741 1 6 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.470 -0.147 19512
742 1 6 . 1 1 658 658 GLN C C 658 175.454 175.454 174.283 1.171 19512
743 1 6 . 1 1 658 658 GLN CA C 658 56.398 56.398 54.914 1.484 19512
744 1 6 . 1 1 658 658 GLN CB C 658 29.275 29.275 31.276 -2.001 19512
745 1 6 . 1 1 659 659 GLU N N 659 122.875 122.875 121.571 1.304 19512
746 1 6 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.191 0.091 19512
747 1 6 . 1 1 659 659 GLU C C 659 176.491 176.491 177.169 -0.678 19512
748 1 6 . 1 1 659 659 GLU CA C 659 57.090 57.090 57.264 -0.173 19512
749 1 6 . 1 1 659 659 GLU CB C 659 30.180 30.180 28.995 1.185 19512
750 1 6 . 1 1 659 659 GLU H H 659 8.705 8.705 8.783 -0.078 19512
751 1 6 . 1 1 660 660 LEU N N 660 122.615 122.615 124.398 -1.783 19512
752 1 6 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.342 -0.039 19512
753 1 6 . 1 1 660 660 LEU C C 660 176.867 176.867 176.617 0.250 19512
754 1 6 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.333 0.543 19512
755 1 6 . 1 1 660 660 LEU CB C 660 42.573 42.573 41.974 0.599 19512
756 1 6 . 1 1 660 660 LEU H H 660 8.446 8.446 8.417 0.029 19512
757 1 6 . 1 1 661 661 LEU N N 661 120.426 120.426 116.742 3.684 19512
758 1 6 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.564 -0.178 19512
759 1 6 . 1 1 661 661 LEU C C 661 176.745 176.745 177.351 -0.606 19512
760 1 6 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.446 0.536 19512
761 1 6 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.774 0.938 19512
762 1 6 . 1 1 661 661 LEU H H 661 8.083 8.083 7.780 0.303 19512
763 1 6 . 1 1 662 662 GLU N N 662 121.380 121.380 119.763 1.617 19512
764 1 6 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.465 -0.100 19512
765 1 6 . 1 1 662 662 GLU C C 662 176.785 176.785 177.422 -0.637 19512
766 1 6 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.537 0.889 19512
767 1 6 . 1 1 662 662 GLU CB C 662 29.979 29.979 30.886 -0.907 19512
768 1 6 . 1 1 662 662 GLU H H 662 8.290 8.290 7.514 0.776 19512
769 1 6 . 1 1 663 663 LEU N N 663 122.863 122.863 122.851 0.012 19512
770 1 6 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.208 -0.032 19512
771 1 6 . 1 1 663 663 LEU C C 663 177.682 177.682 177.932 -0.250 19512
772 1 6 . 1 1 663 663 LEU CA C 663 56.932 56.932 57.707 -0.775 19512
773 1 6 . 1 1 663 663 LEU CB C 663 42.377 42.377 41.994 0.383 19512
774 1 6 . 1 1 663 663 LEU H H 663 8.295 8.295 8.742 -0.447 19512
775 1 6 . 1 1 664 664 ASP N N 664 118.481 118.481 120.410 -1.929 19512
776 1 6 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.470 -0.001 19512
777 1 6 . 1 1 664 664 ASP C C 664 177.764 177.764 178.690 -0.926 19512
778 1 6 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.588 -1.791 19512
779 1 6 . 1 1 664 664 ASP CB C 664 40.721 40.721 39.996 0.725 19512
780 1 6 . 1 1 664 664 ASP H H 664 8.524 8.524 8.431 0.093 19512
781 1 6 . 1 1 665 665 LYS N N 665 120.499 120.499 118.332 2.167 19512
782 1 6 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.088 0.013 19512
783 1 6 . 1 1 665 665 LYS C C 665 177.845 177.845 178.175 -0.330 19512
784 1 6 . 1 1 665 665 LYS CA C 665 58.259 58.259 59.146 -0.887 19512
785 1 6 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.401 -0.106 19512
786 1 6 . 1 1 665 665 LYS H H 665 8.029 8.029 8.378 -0.349 19512
787 1 6 . 1 1 666 666 TRP N N 666 119.813 119.813 118.300 1.513 19512
788 1 6 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.642 -0.112 19512
789 1 6 . 1 1 666 666 TRP C C 666 177.158 177.158 177.526 -0.368 19512
790 1 6 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.714 0.222 19512
791 1 6 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.025 -0.817 19512
792 1 6 . 1 1 666 666 TRP H H 666 7.927 7.927 7.543 0.384 19512
793 1 6 . 1 1 667 667 ALA N N 667 121.451 121.451 122.729 -1.278 19512
794 1 6 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.191 -0.061 19512
795 1 6 . 1 1 667 667 ALA C C 667 180.006 180.006 179.261 0.745 19512
796 1 6 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.234 -0.067 19512
797 1 6 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.128 0.474 19512
798 1 6 . 1 1 667 667 ALA H H 667 8.166 8.166 8.190 -0.024 19512
799 1 6 . 1 1 668 668 SER N N 668 113.231 113.231 113.540 -0.309 19512
800 1 6 . 1 1 668 668 SER HA H 668 4.308 4.308 4.335 -0.027 19512
801 1 6 . 1 1 668 668 SER C C 668 176.031 176.031 176.694 -0.663 19512
802 1 6 . 1 1 668 668 SER CA C 668 61.301 61.301 61.005 0.296 19512
803 1 6 . 1 1 668 668 SER CB C 668 63.049 63.049 63.154 -0.105 19512
804 1 6 . 1 1 668 668 SER H H 668 8.145 8.145 7.951 0.194 19512
805 1 6 . 1 1 669 669 LEU N N 669 122.954 122.954 123.223 -0.269 19512
806 1 6 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.457 -0.283 19512
807 1 6 . 1 1 669 669 LEU C C 669 178.390 178.390 178.209 0.181 19512
808 1 6 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.458 -0.578 19512
809 1 6 . 1 1 669 669 LEU CB C 669 41.912 41.912 42.166 -0.254 19512
810 1 6 . 1 1 669 669 LEU H H 669 7.856 7.856 7.546 0.310 19512
811 1 6 . 1 1 670 670 TRP N N 670 118.401 118.401 120.852 -2.451 19512
812 1 6 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.368 0.190 19512
813 1 6 . 1 1 670 670 TRP C C 670 177.987 177.987 178.033 -0.046 19512
814 1 6 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.624 -1.576 19512
815 1 6 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.803 -0.303 19512
816 1 6 . 1 1 670 670 TRP H H 670 8.058 8.058 7.790 0.268 19512
817 1 6 . 1 1 671 671 ALA N N 671 120.051 120.051 120.624 -0.573 19512
818 1 6 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.318 -0.227 19512
819 1 6 . 1 1 671 671 ALA C C 671 179.353 179.353 178.013 1.340 19512
820 1 6 . 1 1 671 671 ALA CA C 671 54.865 54.865 54.547 0.318 19512
821 1 6 . 1 1 671 671 ALA CB C 671 18.397 18.397 17.988 0.409 19512
822 1 6 . 1 1 671 671 ALA H H 671 8.022 8.022 7.850 0.172 19512
823 1 6 . 1 1 672 672 TRP N N 672 118.053 118.053 118.497 -0.444 19512
824 1 6 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.320 0.011 19512
825 1 6 . 1 1 672 672 TRP C C 672 177.849 177.849 178.611 -0.762 19512
826 1 6 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.363 -0.037 19512
827 1 6 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.640 -0.375 19512
828 1 6 . 1 1 672 672 TRP H H 672 7.933 7.933 7.423 0.510 19512
829 1 6 . 1 1 673 673 PHE N N 673 118.403 118.403 118.235 0.168 19512
830 1 6 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.123 -0.006 19512
831 1 6 . 1 1 673 673 PHE C C 673 176.493 176.493 177.056 -0.563 19512
832 1 6 . 1 1 673 673 PHE CA C 673 60.158 60.158 62.088 -1.930 19512
833 1 6 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.781 0.363 19512
834 1 6 . 1 1 673 673 PHE H H 673 8.156 8.156 7.969 0.187 19512
835 1 6 . 1 1 674 674 ALA N N 674 120.989 120.989 118.853 2.136 19512
836 1 6 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.301 -0.220 19512
837 1 6 . 1 1 674 674 ALA C C 674 178.757 178.757 178.022 0.735 19512
838 1 6 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.398 1.675 19512
839 1 6 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.497 -0.128 19512
840 1 6 . 1 1 674 674 ALA H H 674 7.894 7.894 7.759 0.135 19512
841 1 6 . 1 1 675 675 ILE N N 675 116.059 116.059 120.248 -4.189 19512
842 1 6 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.081 -0.178 19512
843 1 6 . 1 1 675 675 ILE C C 675 176.905 176.905 175.362 1.543 19512
844 1 6 . 1 1 675 675 ILE CA C 675 63.030 63.030 61.441 1.589 19512
845 1 6 . 1 1 675 675 ILE CB C 675 38.441 38.441 34.985 3.456 19512
846 1 6 . 1 1 675 675 ILE H H 675 7.817 7.817 7.911 -0.094 19512
847 1 6 . 1 1 676 676 THR N N 676 113.208 113.208 117.272 -4.064 19512
848 1 6 . 1 1 676 676 THR HA H 676 3.879 3.879 4.039 -0.160 19512
849 1 6 . 1 1 676 676 THR C C 676 175.302 175.302 175.026 0.276 19512
850 1 6 . 1 1 676 676 THR CA C 676 64.650 64.650 62.908 1.742 19512
851 1 6 . 1 1 676 676 THR CB C 676 69.044 69.044 68.772 0.272 19512
852 1 6 . 1 1 676 676 THR H H 676 7.714 7.714 8.281 -0.567 19512
853 1 6 . 1 1 677 677 ASN N N 677 119.245 119.245 120.226 -0.981 19512
854 1 6 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.668 -0.116 19512
855 1 6 . 1 1 677 677 ASN C C 677 175.961 175.961 177.199 -1.238 19512
856 1 6 . 1 1 677 677 ASN CA C 677 54.780 54.780 55.646 -0.866 19512
857 1 6 . 1 1 677 677 ASN CB C 677 38.428 38.428 38.548 -0.120 19512
858 1 6 . 1 1 677 677 ASN H H 677 7.976 7.976 8.484 -0.508 19512
859 1 6 . 1 1 678 678 TRP N N 678 119.308 119.308 119.240 0.068 19512
860 1 6 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.699 -0.119 19512
861 1 6 . 1 1 678 678 TRP C C 678 176.863 176.863 177.152 -0.289 19512
862 1 6 . 1 1 678 678 TRP CA C 678 58.992 58.992 58.124 0.868 19512
863 1 6 . 1 1 678 678 TRP CB C 678 29.686 29.686 28.426 1.260 19512
864 1 6 . 1 1 678 678 TRP H H 678 7.801 7.801 7.528 0.273 19512
865 1 6 . 1 1 679 679 LEU N N 679 117.827 117.827 120.650 -2.823 19512
866 1 6 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.762 0.206 19512
867 1 6 . 1 1 679 679 LEU C C 679 177.391 177.391 178.540 -1.149 19512
868 1 6 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.073 -0.315 19512
869 1 6 . 1 1 679 679 LEU CB C 679 41.751 41.751 40.962 0.789 19512
870 1 6 . 1 1 679 679 LEU H H 679 7.769 7.769 6.739 1.030 19512
871 1 6 . 1 1 680 680 TRP N N 680 117.076 117.076 120.443 -3.367 19512
872 1 6 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.323 0.020 19512
873 1 6 . 1 1 680 680 TRP C C 680 176.337 176.337 177.653 -1.316 19512
874 1 6 . 1 1 680 680 TRP CA C 680 58.707 58.707 60.747 -2.040 19512
875 1 6 . 1 1 680 680 TRP CB C 680 29.231 29.231 29.517 -0.286 19512
876 1 6 . 1 1 680 680 TRP H H 680 7.531 7.531 7.764 -0.233 19512
877 1 6 . 1 1 681 681 TYR N N 681 116.306 116.306 119.393 -3.087 19512
878 1 6 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.406 -0.197 19512
879 1 6 . 1 1 681 681 TYR C C 681 175.629 175.629 175.958 -0.329 19512
880 1 6 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.369 -0.904 19512
881 1 6 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.157 -0.087 19512
882 1 6 . 1 1 681 681 TYR H H 681 7.460 7.460 7.706 -0.246 19512
883 1 6 . 1 1 682 682 ILE N N 682 115.813 115.813 119.920 -4.107 19512
884 1 6 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.227 -0.069 19512
885 1 6 . 1 1 682 682 ILE C C 682 174.365 174.365 174.586 -0.221 19512
886 1 6 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.438 0.841 19512
887 1 6 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.573 2.223 19512
888 1 6 . 1 1 682 682 ILE H H 682 7.495 7.495 7.560 -0.065 19512
889 1 7 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.649 -0.326 19512
890 1 7 . 1 1 658 658 GLN C C 658 175.454 175.454 175.078 0.376 19512
891 1 7 . 1 1 658 658 GLN CA C 658 56.398 56.398 55.731 0.667 19512
892 1 7 . 1 1 658 658 GLN CB C 658 29.275 29.275 30.176 -0.901 19512
893 1 7 . 1 1 659 659 GLU N N 659 122.875 122.875 122.874 0.001 19512
894 1 7 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.471 -0.189 19512
895 1 7 . 1 1 659 659 GLU C C 659 176.491 176.491 177.192 -0.701 19512
896 1 7 . 1 1 659 659 GLU CA C 659 57.090 57.090 55.813 1.277 19512
897 1 7 . 1 1 659 659 GLU CB C 659 30.180 30.180 30.198 -0.018 19512
898 1 7 . 1 1 659 659 GLU H H 659 8.705 8.705 8.584 0.121 19512
899 1 7 . 1 1 660 660 LEU N N 660 122.615 122.615 119.698 2.917 19512
900 1 7 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.444 -0.141 19512
901 1 7 . 1 1 660 660 LEU C C 660 176.867 176.867 177.122 -0.255 19512
902 1 7 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.517 0.359 19512
903 1 7 . 1 1 660 660 LEU CB C 660 42.573 42.573 41.880 0.693 19512
904 1 7 . 1 1 660 660 LEU H H 660 8.446 8.446 8.339 0.107 19512
905 1 7 . 1 1 661 661 LEU N N 661 120.426 120.426 117.407 3.019 19512
906 1 7 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.560 -0.174 19512
907 1 7 . 1 1 661 661 LEU C C 661 176.745 176.745 177.044 -0.299 19512
908 1 7 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.211 0.771 19512
909 1 7 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.504 1.208 19512
910 1 7 . 1 1 661 661 LEU H H 661 8.083 8.083 7.801 0.282 19512
911 1 7 . 1 1 662 662 GLU N N 662 121.380 121.380 120.299 1.081 19512
912 1 7 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.305 0.060 19512
913 1 7 . 1 1 662 662 GLU C C 662 176.785 176.785 177.491 -0.706 19512
914 1 7 . 1 1 662 662 GLU CA C 662 56.426 56.426 56.894 -0.468 19512
915 1 7 . 1 1 662 662 GLU CB C 662 29.979 29.979 30.910 -0.931 19512
916 1 7 . 1 1 662 662 GLU H H 662 8.290 8.290 7.765 0.525 19512
917 1 7 . 1 1 663 663 LEU N N 663 122.863 122.863 125.725 -2.862 19512
918 1 7 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.232 -0.056 19512
919 1 7 . 1 1 663 663 LEU C C 663 177.682 177.682 177.753 -0.071 19512
920 1 7 . 1 1 663 663 LEU CA C 663 56.932 56.932 57.556 -0.624 19512
921 1 7 . 1 1 663 663 LEU CB C 663 42.377 42.377 41.739 0.638 19512
922 1 7 . 1 1 663 663 LEU H H 663 8.295 8.295 8.885 -0.590 19512
923 1 7 . 1 1 664 664 ASP N N 664 118.481 118.481 118.801 -0.320 19512
924 1 7 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.418 0.051 19512
925 1 7 . 1 1 664 664 ASP C C 664 177.764 177.764 178.137 -0.373 19512
926 1 7 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.584 -1.787 19512
927 1 7 . 1 1 664 664 ASP CB C 664 40.721 40.721 40.113 0.608 19512
928 1 7 . 1 1 664 664 ASP H H 664 8.524 8.524 8.847 -0.323 19512
929 1 7 . 1 1 665 665 LYS N N 665 120.499 120.499 117.345 3.154 19512
930 1 7 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.280 -0.179 19512
931 1 7 . 1 1 665 665 LYS C C 665 177.845 177.845 177.525 0.320 19512
932 1 7 . 1 1 665 665 LYS CA C 665 58.259 58.259 57.884 0.375 19512
933 1 7 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.744 -0.449 19512
934 1 7 . 1 1 665 665 LYS H H 665 8.029 8.029 7.426 0.603 19512
935 1 7 . 1 1 666 666 TRP N N 666 119.813 119.813 120.179 -0.366 19512
936 1 7 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.689 -0.159 19512
937 1 7 . 1 1 666 666 TRP C C 666 177.158 177.158 177.464 -0.306 19512
938 1 7 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.480 0.456 19512
939 1 7 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.657 -1.448 19512
940 1 7 . 1 1 666 666 TRP H H 666 7.927 7.927 7.376 0.551 19512
941 1 7 . 1 1 667 667 ALA N N 667 121.451 121.451 122.360 -0.909 19512
942 1 7 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.164 -0.034 19512
943 1 7 . 1 1 667 667 ALA C C 667 180.006 180.006 178.871 1.135 19512
944 1 7 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.494 -0.327 19512
945 1 7 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.174 0.428 19512
946 1 7 . 1 1 667 667 ALA H H 667 8.166 8.166 8.830 -0.664 19512
947 1 7 . 1 1 668 668 SER N N 668 113.231 113.231 112.443 0.788 19512
948 1 7 . 1 1 668 668 SER HA H 668 4.308 4.308 4.352 -0.044 19512
949 1 7 . 1 1 668 668 SER C C 668 176.031 176.031 176.004 0.027 19512
950 1 7 . 1 1 668 668 SER CA C 668 61.301 61.301 60.582 0.719 19512
951 1 7 . 1 1 668 668 SER CB C 668 63.049 63.049 62.921 0.128 19512
952 1 7 . 1 1 668 668 SER H H 668 8.145 8.145 8.386 -0.241 19512
953 1 7 . 1 1 669 669 LEU N N 669 122.954 122.954 121.748 1.206 19512
954 1 7 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.422 -0.248 19512
955 1 7 . 1 1 669 669 LEU C C 669 178.390 178.390 179.116 -0.726 19512
956 1 7 . 1 1 669 669 LEU CA C 669 57.880 57.880 57.383 0.497 19512
957 1 7 . 1 1 669 669 LEU CB C 669 41.912 41.912 42.163 -0.251 19512
958 1 7 . 1 1 669 669 LEU H H 669 7.856 7.856 7.637 0.219 19512
959 1 7 . 1 1 670 670 TRP N N 670 118.401 118.401 122.473 -4.072 19512
960 1 7 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.443 0.115 19512
961 1 7 . 1 1 670 670 TRP C C 670 177.987 177.987 177.420 0.567 19512
962 1 7 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.136 -1.088 19512
963 1 7 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.487 0.013 19512
964 1 7 . 1 1 670 670 TRP H H 670 8.058 8.058 8.023 0.035 19512
965 1 7 . 1 1 671 671 ALA N N 671 120.051 120.051 119.742 0.309 19512
966 1 7 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.244 -0.153 19512
967 1 7 . 1 1 671 671 ALA C C 671 179.353 179.353 178.676 0.677 19512
968 1 7 . 1 1 671 671 ALA CA C 671 54.865 54.865 53.814 1.051 19512
969 1 7 . 1 1 671 671 ALA CB C 671 18.397 18.397 18.312 0.085 19512
970 1 7 . 1 1 671 671 ALA H H 671 8.022 8.022 7.764 0.258 19512
971 1 7 . 1 1 672 672 TRP N N 672 118.053 118.053 121.217 -3.164 19512
972 1 7 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.201 0.130 19512
973 1 7 . 1 1 672 672 TRP C C 672 177.849 177.849 177.776 0.073 19512
974 1 7 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.506 -0.180 19512
975 1 7 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.663 -0.399 19512
976 1 7 . 1 1 672 672 TRP H H 672 7.933 7.933 7.998 -0.065 19512
977 1 7 . 1 1 673 673 PHE N N 673 118.403 118.403 118.018 0.385 19512
978 1 7 . 1 1 673 673 PHE HA H 673 4.117 4.117 3.651 0.466 19512
979 1 7 . 1 1 673 673 PHE C C 673 176.493 176.493 176.295 0.198 19512
980 1 7 . 1 1 673 673 PHE CA C 673 60.158 60.158 61.042 -0.884 19512
981 1 7 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.391 0.752 19512
982 1 7 . 1 1 673 673 PHE H H 673 8.156 8.156 7.433 0.723 19512
983 1 7 . 1 1 674 674 ALA N N 674 120.989 120.989 118.438 2.551 19512
984 1 7 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.161 -0.080 19512
985 1 7 . 1 1 674 674 ALA C C 674 178.757 178.757 177.793 0.964 19512
986 1 7 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.052 2.021 19512
987 1 7 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.637 -0.268 19512
988 1 7 . 1 1 674 674 ALA H H 674 7.894 7.894 8.048 -0.154 19512
989 1 7 . 1 1 675 675 ILE N N 675 116.059 116.059 120.472 -4.413 19512
990 1 7 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.001 -0.098 19512
991 1 7 . 1 1 675 675 ILE C C 675 176.905 176.905 175.264 1.641 19512
992 1 7 . 1 1 675 675 ILE CA C 675 63.030 63.030 60.913 2.117 19512
993 1 7 . 1 1 675 675 ILE CB C 675 38.441 38.441 34.877 3.564 19512
994 1 7 . 1 1 675 675 ILE H H 675 7.817 7.817 7.479 0.338 19512
995 1 7 . 1 1 676 676 THR N N 676 113.208 113.208 116.519 -3.311 19512
996 1 7 . 1 1 676 676 THR HA H 676 3.879 3.879 3.604 0.275 19512
997 1 7 . 1 1 676 676 THR C C 676 175.302 175.302 174.074 1.228 19512
998 1 7 . 1 1 676 676 THR CA C 676 64.650 64.650 62.766 1.884 19512
999 1 7 . 1 1 676 676 THR CB C 676 69.044 69.044 68.392 0.652 19512
1000 1 7 . 1 1 676 676 THR H H 676 7.714 7.714 8.120 -0.406 19512
1001 1 7 . 1 1 677 677 ASN N N 677 119.245 119.245 118.785 0.460 19512
1002 1 7 . 1 1 677 677 ASN HA H 677 4.552 4.552 3.320 1.232 19512
1003 1 7 . 1 1 677 677 ASN C C 677 175.961 175.961 175.209 0.752 19512
1004 1 7 . 1 1 677 677 ASN CA C 677 54.780 54.780 52.998 1.782 19512
1005 1 7 . 1 1 677 677 ASN CB C 677 38.428 38.428 37.129 1.299 19512
1006 1 7 . 1 1 677 677 ASN H H 677 7.976 7.976 8.007 -0.031 19512
1007 1 7 . 1 1 678 678 TRP N N 678 119.308 119.308 118.026 1.282 19512
1008 1 7 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.615 -0.035 19512
1009 1 7 . 1 1 678 678 TRP C C 678 176.863 176.863 176.501 0.362 19512
1010 1 7 . 1 1 678 678 TRP CA C 678 58.992 58.992 56.807 2.185 19512
1011 1 7 . 1 1 678 678 TRP CB C 678 29.686 29.686 28.560 1.126 19512
1012 1 7 . 1 1 678 678 TRP H H 678 7.801 7.801 6.769 1.032 19512
1013 1 7 . 1 1 679 679 LEU N N 679 117.827 117.827 120.861 -3.034 19512
1014 1 7 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.724 0.244 19512
1015 1 7 . 1 1 679 679 LEU C C 679 177.391 177.391 178.543 -1.152 19512
1016 1 7 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.461 -0.703 19512
1017 1 7 . 1 1 679 679 LEU CB C 679 41.751 41.751 40.953 0.798 19512
1018 1 7 . 1 1 679 679 LEU H H 679 7.769 7.769 6.327 1.442 19512
1019 1 7 . 1 1 680 680 TRP N N 680 117.076 117.076 116.970 0.106 19512
1020 1 7 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.410 -0.068 19512
1021 1 7 . 1 1 680 680 TRP C C 680 176.337 176.337 177.416 -1.079 19512
1022 1 7 . 1 1 680 680 TRP CA C 680 58.707 58.707 58.273 0.434 19512
1023 1 7 . 1 1 680 680 TRP CB C 680 29.231 29.231 27.820 1.411 19512
1024 1 7 . 1 1 680 680 TRP H H 680 7.531 7.531 6.954 0.577 19512
1025 1 7 . 1 1 681 681 TYR N N 681 116.306 116.306 118.744 -2.438 19512
1026 1 7 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.349 -0.140 19512
1027 1 7 . 1 1 681 681 TYR C C 681 175.629 175.629 176.112 -0.483 19512
1028 1 7 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.198 -0.733 19512
1029 1 7 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.170 -0.100 19512
1030 1 7 . 1 1 681 681 TYR H H 681 7.460 7.460 7.420 0.040 19512
1031 1 7 . 1 1 682 682 ILE N N 682 115.813 115.813 119.972 -4.159 19512
1032 1 7 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.307 -0.149 19512
1033 1 7 . 1 1 682 682 ILE C C 682 174.365 174.365 174.996 -0.631 19512
1034 1 7 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.294 0.986 19512
1035 1 7 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.796 2.000 19512
1036 1 7 . 1 1 682 682 ILE H H 682 7.495 7.495 7.623 -0.128 19512
1037 1 8 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.417 -0.094 19512
1038 1 8 . 1 1 658 658 GLN C C 658 175.454 175.454 173.954 1.500 19512
1039 1 8 . 1 1 658 658 GLN CA C 658 56.398 56.398 55.606 0.792 19512
1040 1 8 . 1 1 658 658 GLN CB C 658 29.275 29.275 30.255 -0.980 19512
1041 1 8 . 1 1 659 659 GLU N N 659 122.875 122.875 122.044 0.831 19512
1042 1 8 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.212 0.070 19512
1043 1 8 . 1 1 659 659 GLU C C 659 176.491 176.491 177.220 -0.729 19512
1044 1 8 . 1 1 659 659 GLU CA C 659 57.090 57.090 57.278 -0.188 19512
1045 1 8 . 1 1 659 659 GLU CB C 659 30.180 30.180 28.978 1.202 19512
1046 1 8 . 1 1 659 659 GLU H H 659 8.705 8.705 8.773 -0.068 19512
1047 1 8 . 1 1 660 660 LEU N N 660 122.615 122.615 124.528 -1.913 19512
1048 1 8 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.346 -0.043 19512
1049 1 8 . 1 1 660 660 LEU C C 660 176.867 176.867 176.654 0.213 19512
1050 1 8 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.329 0.547 19512
1051 1 8 . 1 1 660 660 LEU CB C 660 42.573 42.573 42.022 0.551 19512
1052 1 8 . 1 1 660 660 LEU H H 660 8.446 8.446 8.464 -0.018 19512
1053 1 8 . 1 1 661 661 LEU N N 661 120.426 120.426 117.009 3.417 19512
1054 1 8 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.571 -0.185 19512
1055 1 8 . 1 1 661 661 LEU C C 661 176.745 176.745 177.244 -0.499 19512
1056 1 8 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.420 0.562 19512
1057 1 8 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.752 0.960 19512
1058 1 8 . 1 1 661 661 LEU H H 661 8.083 8.083 7.804 0.279 19512
1059 1 8 . 1 1 662 662 GLU N N 662 121.380 121.380 120.036 1.344 19512
1060 1 8 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.411 -0.046 19512
1061 1 8 . 1 1 662 662 GLU C C 662 176.785 176.785 177.450 -0.665 19512
1062 1 8 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.950 0.476 19512
1063 1 8 . 1 1 662 662 GLU CB C 662 29.979 29.979 30.790 -0.811 19512
1064 1 8 . 1 1 662 662 GLU H H 662 8.290 8.290 7.523 0.767 19512
1065 1 8 . 1 1 663 663 LEU N N 663 122.863 122.863 124.730 -1.867 19512
1066 1 8 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.109 0.067 19512
1067 1 8 . 1 1 663 663 LEU C C 663 177.682 177.682 177.936 -0.254 19512
1068 1 8 . 1 1 663 663 LEU CA C 663 56.932 56.932 57.825 -0.893 19512
1069 1 8 . 1 1 663 663 LEU CB C 663 42.377 42.377 41.920 0.457 19512
1070 1 8 . 1 1 663 663 LEU H H 663 8.295 8.295 8.857 -0.562 19512
1071 1 8 . 1 1 664 664 ASP N N 664 118.481 118.481 120.245 -1.764 19512
1072 1 8 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.470 -0.001 19512
1073 1 8 . 1 1 664 664 ASP C C 664 177.764 177.764 178.961 -1.197 19512
1074 1 8 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.757 -1.960 19512
1075 1 8 . 1 1 664 664 ASP CB C 664 40.721 40.721 40.050 0.671 19512
1076 1 8 . 1 1 664 664 ASP H H 664 8.524 8.524 8.498 0.026 19512
1077 1 8 . 1 1 665 665 LYS N N 665 120.499 120.499 119.379 1.120 19512
1078 1 8 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.067 0.034 19512
1079 1 8 . 1 1 665 665 LYS C C 665 177.845 177.845 178.506 -0.661 19512
1080 1 8 . 1 1 665 665 LYS CA C 665 58.259 58.259 58.787 -0.528 19512
1081 1 8 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.256 0.039 19512
1082 1 8 . 1 1 665 665 LYS H H 665 8.029 8.029 8.122 -0.093 19512
1083 1 8 . 1 1 666 666 TRP N N 666 119.813 119.813 118.508 1.305 19512
1084 1 8 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.638 -0.108 19512
1085 1 8 . 1 1 666 666 TRP C C 666 177.158 177.158 177.197 -0.039 19512
1086 1 8 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.528 0.409 19512
1087 1 8 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.201 -0.993 19512
1088 1 8 . 1 1 666 666 TRP H H 666 7.927 7.927 7.566 0.361 19512
1089 1 8 . 1 1 667 667 ALA N N 667 121.451 121.451 122.864 -1.413 19512
1090 1 8 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.138 -0.008 19512
1091 1 8 . 1 1 667 667 ALA C C 667 180.006 180.006 179.606 0.400 19512
1092 1 8 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.198 -0.031 19512
1093 1 8 . 1 1 667 667 ALA CB C 667 18.602 18.602 17.949 0.653 19512
1094 1 8 . 1 1 667 667 ALA H H 667 8.166 8.166 8.148 0.018 19512
1095 1 8 . 1 1 668 668 SER N N 668 113.231 113.231 113.503 -0.272 19512
1096 1 8 . 1 1 668 668 SER HA H 668 4.308 4.308 4.402 -0.094 19512
1097 1 8 . 1 1 668 668 SER C C 668 176.031 176.031 176.500 -0.469 19512
1098 1 8 . 1 1 668 668 SER CA C 668 61.301 61.301 61.530 -0.229 19512
1099 1 8 . 1 1 668 668 SER CB C 668 63.049 63.049 63.292 -0.243 19512
1100 1 8 . 1 1 668 668 SER H H 668 8.145 8.145 7.908 0.237 19512
1101 1 8 . 1 1 669 669 LEU N N 669 122.954 122.954 122.922 0.032 19512
1102 1 8 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.348 -0.174 19512
1103 1 8 . 1 1 669 669 LEU C C 669 178.390 178.390 177.655 0.735 19512
1104 1 8 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.547 -0.666 19512
1105 1 8 . 1 1 669 669 LEU CB C 669 41.912 41.912 42.121 -0.209 19512
1106 1 8 . 1 1 669 669 LEU H H 669 7.856 7.856 7.561 0.295 19512
1107 1 8 . 1 1 670 670 TRP N N 670 118.401 118.401 121.081 -2.680 19512
1108 1 8 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.218 0.340 19512
1109 1 8 . 1 1 670 670 TRP C C 670 177.987 177.987 177.781 0.206 19512
1110 1 8 . 1 1 670 670 TRP CA C 670 60.048 60.048 60.608 -0.560 19512
1111 1 8 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.618 -0.118 19512
1112 1 8 . 1 1 670 670 TRP H H 670 8.058 8.058 7.723 0.335 19512
1113 1 8 . 1 1 671 671 ALA N N 671 120.051 120.051 120.439 -0.388 19512
1114 1 8 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.158 -0.067 19512
1115 1 8 . 1 1 671 671 ALA C C 671 179.353 179.353 177.862 1.491 19512
1116 1 8 . 1 1 671 671 ALA CA C 671 54.865 54.865 54.203 0.662 19512
1117 1 8 . 1 1 671 671 ALA CB C 671 18.397 18.397 17.930 0.466 19512
1118 1 8 . 1 1 671 671 ALA H H 671 8.022 8.022 7.750 0.272 19512
1119 1 8 . 1 1 672 672 TRP N N 672 118.053 118.053 118.769 -0.716 19512
1120 1 8 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.396 -0.065 19512
1121 1 8 . 1 1 672 672 TRP C C 672 177.849 177.849 178.393 -0.544 19512
1122 1 8 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.638 -0.312 19512
1123 1 8 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.841 -0.576 19512
1124 1 8 . 1 1 672 672 TRP H H 672 7.933 7.933 7.449 0.484 19512
1125 1 8 . 1 1 673 673 PHE N N 673 118.403 118.403 118.382 0.021 19512
1126 1 8 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.131 -0.014 19512
1127 1 8 . 1 1 673 673 PHE C C 673 176.493 176.493 177.301 -0.808 19512
1128 1 8 . 1 1 673 673 PHE CA C 673 60.158 60.158 61.759 -1.601 19512
1129 1 8 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.633 0.510 19512
1130 1 8 . 1 1 673 673 PHE H H 673 8.156 8.156 8.101 0.055 19512
1131 1 8 . 1 1 674 674 ALA N N 674 120.989 120.989 119.378 1.611 19512
1132 1 8 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.201 -0.120 19512
1133 1 8 . 1 1 674 674 ALA C C 674 178.757 178.757 178.126 0.631 19512
1134 1 8 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.341 1.732 19512
1135 1 8 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.312 0.057 19512
1136 1 8 . 1 1 674 674 ALA H H 674 7.894 7.894 7.766 0.128 19512
1137 1 8 . 1 1 675 675 ILE N N 675 116.059 116.059 121.396 -5.337 19512
1138 1 8 . 1 1 675 675 ILE HA H 675 3.903 3.903 3.955 -0.052 19512
1139 1 8 . 1 1 675 675 ILE C C 675 176.905 176.905 175.417 1.488 19512
1140 1 8 . 1 1 675 675 ILE CA C 675 63.030 63.030 61.173 1.857 19512
1141 1 8 . 1 1 675 675 ILE CB C 675 38.441 38.441 35.264 3.178 19512
1142 1 8 . 1 1 675 675 ILE H H 675 7.817 7.817 8.069 -0.252 19512
1143 1 8 . 1 1 676 676 THR N N 676 113.208 113.208 114.527 -1.319 19512
1144 1 8 . 1 1 676 676 THR HA H 676 3.879 3.879 4.077 -0.198 19512
1145 1 8 . 1 1 676 676 THR C C 676 175.302 175.302 174.353 0.949 19512
1146 1 8 . 1 1 676 676 THR CA C 676 64.650 64.650 61.741 2.909 19512
1147 1 8 . 1 1 676 676 THR CB C 676 69.044 69.044 68.550 0.494 19512
1148 1 8 . 1 1 676 676 THR H H 676 7.714 7.714 8.009 -0.295 19512
1149 1 8 . 1 1 677 677 ASN N N 677 119.245 119.245 118.595 0.650 19512
1150 1 8 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.718 -0.166 19512
1151 1 8 . 1 1 677 677 ASN C C 677 175.961 175.961 176.037 -0.076 19512
1152 1 8 . 1 1 677 677 ASN CA C 677 54.780 54.780 53.950 0.830 19512
1153 1 8 . 1 1 677 677 ASN CB C 677 38.428 38.428 38.711 -0.283 19512
1154 1 8 . 1 1 677 677 ASN H H 677 7.976 7.976 7.575 0.401 19512
1155 1 8 . 1 1 678 678 TRP N N 678 119.308 119.308 117.547 1.761 19512
1156 1 8 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.896 -0.316 19512
1157 1 8 . 1 1 678 678 TRP C C 678 176.863 176.863 176.798 0.065 19512
1158 1 8 . 1 1 678 678 TRP CA C 678 58.992 58.992 57.021 1.971 19512
1159 1 8 . 1 1 678 678 TRP CB C 678 29.686 29.686 29.217 0.469 19512
1160 1 8 . 1 1 678 678 TRP H H 678 7.801 7.801 7.241 0.560 19512
1161 1 8 . 1 1 679 679 LEU N N 679 117.827 117.827 120.721 -2.894 19512
1162 1 8 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.775 0.193 19512
1163 1 8 . 1 1 679 679 LEU C C 679 177.391 177.391 178.782 -1.391 19512
1164 1 8 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.215 -0.457 19512
1165 1 8 . 1 1 679 679 LEU CB C 679 41.751 41.751 40.999 0.752 19512
1166 1 8 . 1 1 679 679 LEU H H 679 7.769 7.769 6.817 0.952 19512
1167 1 8 . 1 1 680 680 TRP N N 680 117.076 117.076 118.969 -1.893 19512
1168 1 8 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.283 0.060 19512
1169 1 8 . 1 1 680 680 TRP C C 680 176.337 176.337 176.936 -0.599 19512
1170 1 8 . 1 1 680 680 TRP CA C 680 58.707 58.707 60.398 -1.691 19512
1171 1 8 . 1 1 680 680 TRP CB C 680 29.231 29.231 29.474 -0.243 19512
1172 1 8 . 1 1 680 680 TRP H H 680 7.531 7.531 8.142 -0.611 19512
1173 1 8 . 1 1 681 681 TYR N N 681 116.306 116.306 116.914 -0.608 19512
1174 1 8 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.382 -0.173 19512
1175 1 8 . 1 1 681 681 TYR C C 681 175.629 175.629 175.418 0.211 19512
1176 1 8 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.099 -0.634 19512
1177 1 8 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.361 -0.291 19512
1178 1 8 . 1 1 681 681 TYR H H 681 7.460 7.460 7.618 -0.158 19512
1179 1 8 . 1 1 682 682 ILE N N 682 115.813 115.813 119.176 -3.363 19512
1180 1 8 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.267 -0.109 19512
1181 1 8 . 1 1 682 682 ILE C C 682 174.365 174.365 174.812 -0.447 19512
1182 1 8 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.303 0.976 19512
1183 1 8 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.685 2.111 19512
1184 1 8 . 1 1 682 682 ILE H H 682 7.495 7.495 7.605 -0.110 19512
1185 1 9 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.421 -0.098 19512
1186 1 9 . 1 1 658 658 GLN C C 658 175.454 175.454 175.068 0.386 19512
1187 1 9 . 1 1 658 658 GLN CA C 658 56.398 56.398 55.551 0.847 19512
1188 1 9 . 1 1 658 658 GLN CB C 658 29.275 29.275 29.072 0.203 19512
1189 1 9 . 1 1 659 659 GLU N N 659 122.875 122.875 121.186 1.689 19512
1190 1 9 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.494 -0.212 19512
1191 1 9 . 1 1 659 659 GLU C C 659 176.491 176.491 175.683 0.808 19512
1192 1 9 . 1 1 659 659 GLU CA C 659 57.090 57.090 55.530 1.560 19512
1193 1 9 . 1 1 659 659 GLU CB C 659 30.180 30.180 29.852 0.329 19512
1194 1 9 . 1 1 659 659 GLU H H 659 8.705 8.705 8.321 0.384 19512
1195 1 9 . 1 1 660 660 LEU N N 660 122.615 122.615 124.986 -2.371 19512
1196 1 9 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.231 0.072 19512
1197 1 9 . 1 1 660 660 LEU C C 660 176.867 176.867 176.487 0.380 19512
1198 1 9 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.385 0.491 19512
1199 1 9 . 1 1 660 660 LEU CB C 660 42.573 42.573 42.081 0.492 19512
1200 1 9 . 1 1 660 660 LEU H H 660 8.446 8.446 8.911 -0.465 19512
1201 1 9 . 1 1 661 661 LEU N N 661 120.426 120.426 116.707 3.719 19512
1202 1 9 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.564 -0.178 19512
1203 1 9 . 1 1 661 661 LEU C C 661 176.745 176.745 177.302 -0.557 19512
1204 1 9 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.401 0.581 19512
1205 1 9 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.823 0.889 19512
1206 1 9 . 1 1 661 661 LEU H H 661 8.083 8.083 7.731 0.352 19512
1207 1 9 . 1 1 662 662 GLU N N 662 121.380 121.380 119.544 1.836 19512
1208 1 9 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.524 -0.159 19512
1209 1 9 . 1 1 662 662 GLU C C 662 176.785 176.785 177.182 -0.397 19512
1210 1 9 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.443 0.983 19512
1211 1 9 . 1 1 662 662 GLU CB C 662 29.979 29.979 31.196 -1.217 19512
1212 1 9 . 1 1 662 662 GLU H H 662 8.290 8.290 7.465 0.825 19512
1213 1 9 . 1 1 663 663 LEU N N 663 122.863 122.863 122.953 -0.090 19512
1214 1 9 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.192 -0.016 19512
1215 1 9 . 1 1 663 663 LEU C C 663 177.682 177.682 178.084 -0.402 19512
1216 1 9 . 1 1 663 663 LEU CA C 663 56.932 56.932 57.472 -0.541 19512
1217 1 9 . 1 1 663 663 LEU CB C 663 42.377 42.377 41.965 0.412 19512
1218 1 9 . 1 1 663 663 LEU H H 663 8.295 8.295 8.724 -0.429 19512
1219 1 9 . 1 1 664 664 ASP N N 664 118.481 118.481 120.151 -1.670 19512
1220 1 9 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.389 0.080 19512
1221 1 9 . 1 1 664 664 ASP C C 664 177.764 177.764 178.452 -0.688 19512
1222 1 9 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.717 -1.920 19512
1223 1 9 . 1 1 664 664 ASP CB C 664 40.721 40.721 40.495 0.226 19512
1224 1 9 . 1 1 664 664 ASP H H 664 8.524 8.524 8.478 0.046 19512
1225 1 9 . 1 1 665 665 LYS N N 665 120.499 120.499 118.222 2.277 19512
1226 1 9 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.041 0.060 19512
1227 1 9 . 1 1 665 665 LYS C C 665 177.845 177.845 178.443 -0.598 19512
1228 1 9 . 1 1 665 665 LYS CA C 665 58.259 58.259 58.872 -0.613 19512
1229 1 9 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.233 0.062 19512
1230 1 9 . 1 1 665 665 LYS H H 665 8.029 8.029 8.175 -0.146 19512
1231 1 9 . 1 1 666 666 TRP N N 666 119.813 119.813 118.296 1.517 19512
1232 1 9 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.612 -0.082 19512
1233 1 9 . 1 1 666 666 TRP C C 666 177.158 177.158 177.532 -0.374 19512
1234 1 9 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.554 0.382 19512
1235 1 9 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.011 -0.803 19512
1236 1 9 . 1 1 666 666 TRP H H 666 7.927 7.927 7.510 0.417 19512
1237 1 9 . 1 1 667 667 ALA N N 667 121.451 121.451 122.641 -1.190 19512
1238 1 9 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.138 -0.008 19512
1239 1 9 . 1 1 667 667 ALA C C 667 180.006 180.006 179.294 0.712 19512
1240 1 9 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.254 -0.087 19512
1241 1 9 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.068 0.534 19512
1242 1 9 . 1 1 667 667 ALA H H 667 8.166 8.166 8.235 -0.069 19512
1243 1 9 . 1 1 668 668 SER N N 668 113.231 113.231 112.799 0.432 19512
1244 1 9 . 1 1 668 668 SER HA H 668 4.308 4.308 4.365 -0.057 19512
1245 1 9 . 1 1 668 668 SER C C 668 176.031 176.031 176.003 0.028 19512
1246 1 9 . 1 1 668 668 SER CA C 668 61.301 61.301 60.995 0.306 19512
1247 1 9 . 1 1 668 668 SER CB C 668 63.049 63.049 63.124 -0.075 19512
1248 1 9 . 1 1 668 668 SER H H 668 8.145 8.145 7.839 0.306 19512
1249 1 9 . 1 1 669 669 LEU N N 669 122.954 122.954 121.552 1.402 19512
1250 1 9 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.528 -0.354 19512
1251 1 9 . 1 1 669 669 LEU C C 669 178.390 178.390 179.285 -0.895 19512
1252 1 9 . 1 1 669 669 LEU CA C 669 57.880 57.880 57.406 0.474 19512
1253 1 9 . 1 1 669 669 LEU CB C 669 41.912 41.912 42.268 -0.356 19512
1254 1 9 . 1 1 669 669 LEU H H 669 7.856 7.856 7.675 0.181 19512
1255 1 9 . 1 1 670 670 TRP N N 670 118.401 118.401 122.521 -4.120 19512
1256 1 9 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.420 0.138 19512
1257 1 9 . 1 1 670 670 TRP C C 670 177.987 177.987 177.426 0.561 19512
1258 1 9 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.166 -1.118 19512
1259 1 9 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.443 0.057 19512
1260 1 9 . 1 1 670 670 TRP H H 670 8.058 8.058 8.103 -0.045 19512
1261 1 9 . 1 1 671 671 ALA N N 671 120.051 120.051 119.781 0.270 19512
1262 1 9 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.269 -0.178 19512
1263 1 9 . 1 1 671 671 ALA C C 671 179.353 179.353 178.719 0.634 19512
1264 1 9 . 1 1 671 671 ALA CA C 671 54.865 54.865 53.818 1.047 19512
1265 1 9 . 1 1 671 671 ALA CB C 671 18.397 18.397 18.321 0.076 19512
1266 1 9 . 1 1 671 671 ALA H H 671 8.022 8.022 7.779 0.243 19512
1267 1 9 . 1 1 672 672 TRP N N 672 118.053 118.053 121.251 -3.198 19512
1268 1 9 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.240 0.091 19512
1269 1 9 . 1 1 672 672 TRP C C 672 177.849 177.849 177.828 0.021 19512
1270 1 9 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.624 -0.298 19512
1271 1 9 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.745 -0.480 19512
1272 1 9 . 1 1 672 672 TRP H H 672 7.933 7.933 8.079 -0.146 19512
1273 1 9 . 1 1 673 673 PHE N N 673 118.403 118.403 118.111 0.292 19512
1274 1 9 . 1 1 673 673 PHE HA H 673 4.117 4.117 3.646 0.471 19512
1275 1 9 . 1 1 673 673 PHE C C 673 176.493 176.493 176.184 0.309 19512
1276 1 9 . 1 1 673 673 PHE CA C 673 60.158 60.158 61.397 -1.239 19512
1277 1 9 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.602 0.541 19512
1278 1 9 . 1 1 673 673 PHE H H 673 8.156 8.156 7.602 0.554 19512
1279 1 9 . 1 1 674 674 ALA N N 674 120.989 120.989 119.089 1.900 19512
1280 1 9 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.231 -0.150 19512
1281 1 9 . 1 1 674 674 ALA C C 674 178.757 178.757 177.988 0.769 19512
1282 1 9 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.017 2.056 19512
1283 1 9 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.360 0.009 19512
1284 1 9 . 1 1 674 674 ALA H H 674 7.894 7.894 7.967 -0.073 19512
1285 1 9 . 1 1 675 675 ILE N N 675 116.059 116.059 121.280 -5.221 19512
1286 1 9 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.051 -0.148 19512
1287 1 9 . 1 1 675 675 ILE C C 675 176.905 176.905 175.563 1.342 19512
1288 1 9 . 1 1 675 675 ILE CA C 675 63.030 63.030 60.856 2.174 19512
1289 1 9 . 1 1 675 675 ILE CB C 675 38.441 38.441 35.058 3.383 19512
1290 1 9 . 1 1 675 675 ILE H H 675 7.817 7.817 7.463 0.354 19512
1291 1 9 . 1 1 676 676 THR N N 676 113.208 113.208 115.901 -2.693 19512
1292 1 9 . 1 1 676 676 THR HA H 676 3.879 3.879 3.888 -0.009 19512
1293 1 9 . 1 1 676 676 THR C C 676 175.302 175.302 174.652 0.650 19512
1294 1 9 . 1 1 676 676 THR CA C 676 64.650 64.650 61.513 3.137 19512
1295 1 9 . 1 1 676 676 THR CB C 676 69.044 69.044 68.367 0.677 19512
1296 1 9 . 1 1 676 676 THR H H 676 7.714 7.714 8.465 -0.751 19512
1297 1 9 . 1 1 677 677 ASN N N 677 119.245 119.245 120.255 -1.010 19512
1298 1 9 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.529 0.023 19512
1299 1 9 . 1 1 677 677 ASN C C 677 175.961 175.961 175.687 0.274 19512
1300 1 9 . 1 1 677 677 ASN CA C 677 54.780 54.780 54.571 0.209 19512
1301 1 9 . 1 1 677 677 ASN CB C 677 38.428 38.428 38.109 0.319 19512
1302 1 9 . 1 1 677 677 ASN H H 677 7.976 7.976 7.628 0.348 19512
1303 1 9 . 1 1 678 678 TRP N N 678 119.308 119.308 116.615 2.693 19512
1304 1 9 . 1 1 678 678 TRP HA H 678 4.580 4.580 5.161 -0.581 19512
1305 1 9 . 1 1 678 678 TRP C C 678 176.863 176.863 176.555 0.308 19512
1306 1 9 . 1 1 678 678 TRP CA C 678 58.992 58.992 56.950 2.042 19512
1307 1 9 . 1 1 678 678 TRP CB C 678 29.686 29.686 29.136 0.550 19512
1308 1 9 . 1 1 678 678 TRP H H 678 7.801 7.801 7.244 0.557 19512
1309 1 9 . 1 1 679 679 LEU N N 679 117.827 117.827 121.160 -3.333 19512
1310 1 9 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.841 0.127 19512
1311 1 9 . 1 1 679 679 LEU C C 679 177.391 177.391 178.812 -1.421 19512
1312 1 9 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.696 -0.938 19512
1313 1 9 . 1 1 679 679 LEU CB C 679 41.751 41.751 40.938 0.813 19512
1314 1 9 . 1 1 679 679 LEU H H 679 7.769 7.769 6.788 0.981 19512
1315 1 9 . 1 1 680 680 TRP N N 680 117.076 117.076 118.769 -1.693 19512
1316 1 9 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.438 -0.095 19512
1317 1 9 . 1 1 680 680 TRP C C 680 176.337 176.337 177.013 -0.676 19512
1318 1 9 . 1 1 680 680 TRP CA C 680 58.707 58.707 57.729 0.978 19512
1319 1 9 . 1 1 680 680 TRP CB C 680 29.231 29.231 27.625 1.606 19512
1320 1 9 . 1 1 680 680 TRP H H 680 7.531 7.531 8.027 -0.496 19512
1321 1 9 . 1 1 681 681 TYR N N 681 116.306 116.306 122.045 -5.739 19512
1322 1 9 . 1 1 681 681 TYR HA H 681 4.209 4.209 3.711 0.498 19512
1323 1 9 . 1 1 681 681 TYR C C 681 175.629 175.629 175.563 0.066 19512
1324 1 9 . 1 1 681 681 TYR CA C 681 59.465 59.465 59.998 -0.533 19512
1325 1 9 . 1 1 681 681 TYR CB C 681 39.070 39.070 38.895 0.175 19512
1326 1 9 . 1 1 681 681 TYR H H 681 7.460 7.460 7.583 -0.123 19512
1327 1 9 . 1 1 682 682 ILE N N 682 115.813 115.813 119.255 -3.442 19512
1328 1 9 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.223 -0.065 19512
1329 1 9 . 1 1 682 682 ILE C C 682 174.365 174.365 175.143 -0.778 19512
1330 1 9 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.359 0.920 19512
1331 1 9 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.762 2.034 19512
1332 1 9 . 1 1 682 682 ILE H H 682 7.495 7.495 7.552 -0.057 19512
1333 1 10 . 1 1 658 658 GLN HA H 658 4.323 4.323 4.673 -0.350 19512
1334 1 10 . 1 1 658 658 GLN C C 658 175.454 175.454 175.144 0.310 19512
1335 1 10 . 1 1 658 658 GLN CA C 658 56.398 56.398 55.350 1.048 19512
1336 1 10 . 1 1 658 658 GLN CB C 658 29.275 29.275 29.792 -0.517 19512
1337 1 10 . 1 1 659 659 GLU N N 659 122.875 122.875 120.212 2.663 19512
1338 1 10 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.485 -0.203 19512
1339 1 10 . 1 1 659 659 GLU C C 659 176.491 176.491 177.172 -0.681 19512
1340 1 10 . 1 1 659 659 GLU CA C 659 57.090 57.090 56.000 1.090 19512
1341 1 10 . 1 1 659 659 GLU CB C 659 30.180 30.180 30.198 -0.018 19512
1342 1 10 . 1 1 659 659 GLU H H 659 8.705 8.705 8.371 0.334 19512
1343 1 10 . 1 1 660 660 LEU N N 660 122.615 122.615 119.696 2.919 19512
1344 1 10 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.385 -0.082 19512
1345 1 10 . 1 1 660 660 LEU C C 660 176.867 176.867 176.936 -0.069 19512
1346 1 10 . 1 1 660 660 LEU CA C 660 55.876 55.876 54.931 0.945 19512
1347 1 10 . 1 1 660 660 LEU CB C 660 42.573 42.573 42.122 0.451 19512
1348 1 10 . 1 1 660 660 LEU H H 660 8.446 8.446 8.318 0.128 19512
1349 1 10 . 1 1 661 661 LEU N N 661 120.426 120.426 115.943 4.483 19512
1350 1 10 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.691 -0.305 19512
1351 1 10 . 1 1 661 661 LEU C C 661 176.745 176.745 176.679 0.066 19512
1352 1 10 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.585 0.397 19512
1353 1 10 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.937 0.775 19512
1354 1 10 . 1 1 661 661 LEU H H 661 8.083 8.083 7.732 0.351 19512
1355 1 10 . 1 1 662 662 GLU N N 662 121.380 121.380 120.694 0.686 19512
1356 1 10 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.448 -0.083 19512
1357 1 10 . 1 1 662 662 GLU C C 662 176.785 176.785 177.338 -0.553 19512
1358 1 10 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.844 0.582 19512
1359 1 10 . 1 1 662 662 GLU CB C 662 29.979 29.979 30.742 -0.763 19512
1360 1 10 . 1 1 662 662 GLU H H 662 8.290 8.290 7.623 0.667 19512
1361 1 10 . 1 1 663 663 LEU N N 663 122.863 122.863 125.202 -2.339 19512
1362 1 10 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.142 0.034 19512
1363 1 10 . 1 1 663 663 LEU C C 663 177.682 177.682 178.086 -0.404 19512
1364 1 10 . 1 1 663 663 LEU CA C 663 56.932 56.932 58.038 -1.106 19512
1365 1 10 . 1 1 663 663 LEU CB C 663 42.377 42.377 41.990 0.387 19512
1366 1 10 . 1 1 663 663 LEU H H 663 8.295 8.295 8.889 -0.594 19512
1367 1 10 . 1 1 664 664 ASP N N 664 118.481 118.481 119.668 -1.187 19512
1368 1 10 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.469 -0.000 19512
1369 1 10 . 1 1 664 664 ASP C C 664 177.764 177.764 178.800 -1.036 19512
1370 1 10 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.603 -1.806 19512
1371 1 10 . 1 1 664 664 ASP CB C 664 40.721 40.721 39.975 0.746 19512
1372 1 10 . 1 1 664 664 ASP H H 664 8.524 8.524 8.592 -0.068 19512
1373 1 10 . 1 1 665 665 LYS N N 665 120.499 120.499 118.786 1.713 19512
1374 1 10 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.068 0.033 19512
1375 1 10 . 1 1 665 665 LYS C C 665 177.845 177.845 178.242 -0.397 19512
1376 1 10 . 1 1 665 665 LYS CA C 665 58.259 58.259 58.989 -0.730 19512
1377 1 10 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.358 -0.063 19512
1378 1 10 . 1 1 665 665 LYS H H 665 8.029 8.029 7.792 0.237 19512
1379 1 10 . 1 1 666 666 TRP N N 666 119.813 119.813 118.211 1.602 19512
1380 1 10 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.624 -0.094 19512
1381 1 10 . 1 1 666 666 TRP C C 666 177.158 177.158 177.511 -0.353 19512
1382 1 10 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.483 0.453 19512
1383 1 10 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.052 -0.844 19512
1384 1 10 . 1 1 666 666 TRP H H 666 7.927 7.927 7.596 0.331 19512
1385 1 10 . 1 1 667 667 ALA N N 667 121.451 121.451 122.648 -1.197 19512
1386 1 10 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.204 -0.074 19512
1387 1 10 . 1 1 667 667 ALA C C 667 180.006 180.006 179.103 0.903 19512
1388 1 10 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.167 -0.000 19512
1389 1 10 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.138 0.464 19512
1390 1 10 . 1 1 667 667 ALA H H 667 8.166 8.166 8.191 -0.025 19512
1391 1 10 . 1 1 668 668 SER N N 668 113.231 113.231 113.371 -0.140 19512
1392 1 10 . 1 1 668 668 SER HA H 668 4.308 4.308 4.349 -0.041 19512
1393 1 10 . 1 1 668 668 SER C C 668 176.031 176.031 176.694 -0.663 19512
1394 1 10 . 1 1 668 668 SER CA C 668 61.301 61.301 60.823 0.478 19512
1395 1 10 . 1 1 668 668 SER CB C 668 63.049 63.049 63.061 -0.012 19512
1396 1 10 . 1 1 668 668 SER H H 668 8.145 8.145 7.859 0.286 19512
1397 1 10 . 1 1 669 669 LEU N N 669 122.954 122.954 122.297 0.657 19512
1398 1 10 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.323 -0.149 19512
1399 1 10 . 1 1 669 669 LEU C C 669 178.390 178.390 178.559 -0.169 19512
1400 1 10 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.166 -0.286 19512
1401 1 10 . 1 1 669 669 LEU CB C 669 41.912 41.912 41.738 0.174 19512
1402 1 10 . 1 1 669 669 LEU H H 669 7.856 7.856 7.522 0.334 19512
1403 1 10 . 1 1 670 670 TRP N N 670 118.401 118.401 121.350 -2.949 19512
1404 1 10 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.471 0.087 19512
1405 1 10 . 1 1 670 670 TRP C C 670 177.987 177.987 178.084 -0.097 19512
1406 1 10 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.324 -1.276 19512
1407 1 10 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.622 -0.122 19512
1408 1 10 . 1 1 670 670 TRP H H 670 8.058 8.058 7.793 0.265 19512
1409 1 10 . 1 1 671 671 ALA N N 671 120.051 120.051 121.680 -1.629 19512
1410 1 10 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.264 -0.173 19512
1411 1 10 . 1 1 671 671 ALA C C 671 179.353 179.353 178.358 0.995 19512
1412 1 10 . 1 1 671 671 ALA CA C 671 54.865 54.865 55.064 -0.199 19512
1413 1 10 . 1 1 671 671 ALA CB C 671 18.397 18.397 18.579 -0.182 19512
1414 1 10 . 1 1 671 671 ALA H H 671 8.022 8.022 8.045 -0.023 19512
1415 1 10 . 1 1 672 672 TRP N N 672 118.053 118.053 119.391 -1.338 19512
1416 1 10 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.329 0.002 19512
1417 1 10 . 1 1 672 672 TRP C C 672 177.849 177.849 178.577 -0.728 19512
1418 1 10 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.380 -0.054 19512
1419 1 10 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.732 -0.467 19512
1420 1 10 . 1 1 672 672 TRP H H 672 7.933 7.933 7.439 0.494 19512
1421 1 10 . 1 1 673 673 PHE N N 673 118.403 118.403 118.421 -0.018 19512
1422 1 10 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.359 -0.242 19512
1423 1 10 . 1 1 673 673 PHE C C 673 176.493 176.493 176.610 -0.117 19512
1424 1 10 . 1 1 673 673 PHE CA C 673 60.158 60.158 61.685 -1.527 19512
1425 1 10 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.878 0.265 19512
1426 1 10 . 1 1 673 673 PHE H H 673 8.156 8.156 7.924 0.232 19512
1427 1 10 . 1 1 674 674 ALA N N 674 120.989 120.989 120.182 0.807 19512
1428 1 10 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.424 -0.343 19512
1429 1 10 . 1 1 674 674 ALA C C 674 178.757 178.757 177.587 1.170 19512
1430 1 10 . 1 1 674 674 ALA CA C 674 54.073 54.073 51.394 2.679 19512
1431 1 10 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.589 -0.220 19512
1432 1 10 . 1 1 674 674 ALA H H 674 7.894 7.894 7.619 0.275 19512
1433 1 10 . 1 1 675 675 ILE N N 675 116.059 116.059 117.280 -1.221 19512
1434 1 10 . 1 1 675 675 ILE HA H 675 3.903 3.903 3.974 -0.071 19512
1435 1 10 . 1 1 675 675 ILE C C 675 176.905 176.905 175.007 1.898 19512
1436 1 10 . 1 1 675 675 ILE CA C 675 63.030 63.030 61.253 1.777 19512
1437 1 10 . 1 1 675 675 ILE CB C 675 38.441 38.441 35.423 3.018 19512
1438 1 10 . 1 1 675 675 ILE H H 675 7.817 7.817 7.525 0.292 19512
1439 1 10 . 1 1 676 676 THR N N 676 113.208 113.208 116.878 -3.670 19512
1440 1 10 . 1 1 676 676 THR HA H 676 3.879 3.879 3.679 0.200 19512
1441 1 10 . 1 1 676 676 THR C C 676 175.302 175.302 174.992 0.310 19512
1442 1 10 . 1 1 676 676 THR CA C 676 64.650 64.650 62.141 2.509 19512
1443 1 10 . 1 1 676 676 THR CB C 676 69.044 69.044 68.629 0.415 19512
1444 1 10 . 1 1 676 676 THR H H 676 7.714 7.714 8.468 -0.754 19512
1445 1 10 . 1 1 677 677 ASN N N 677 119.245 119.245 120.699 -1.454 19512
1446 1 10 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.593 -0.041 19512
1447 1 10 . 1 1 677 677 ASN C C 677 175.961 175.961 176.232 -0.271 19512
1448 1 10 . 1 1 677 677 ASN CA C 677 54.780 54.780 55.519 -0.739 19512
1449 1 10 . 1 1 677 677 ASN CB C 677 38.428 38.428 37.867 0.561 19512
1450 1 10 . 1 1 677 677 ASN H H 677 7.976 7.976 8.281 -0.305 19512
1451 1 10 . 1 1 678 678 TRP N N 678 119.308 119.308 116.439 2.869 19512
1452 1 10 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.906 -0.326 19512
1453 1 10 . 1 1 678 678 TRP C C 678 176.863 176.863 177.751 -0.888 19512
1454 1 10 . 1 1 678 678 TRP CA C 678 58.992 58.992 57.429 1.563 19512
1455 1 10 . 1 1 678 678 TRP CB C 678 29.686 29.686 28.699 0.987 19512
1456 1 10 . 1 1 678 678 TRP H H 678 7.801 7.801 6.821 0.980 19512
1457 1 10 . 1 1 679 679 LEU N N 679 117.827 117.827 121.252 -3.425 19512
1458 1 10 . 1 1 679 679 LEU HA H 679 3.968 3.968 4.047 -0.079 19512
1459 1 10 . 1 1 679 679 LEU C C 679 177.391 177.391 178.896 -1.505 19512
1460 1 10 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.946 -1.188 19512
1461 1 10 . 1 1 679 679 LEU CB C 679 41.751 41.751 41.270 0.481 19512
1462 1 10 . 1 1 679 679 LEU H H 679 7.769 7.769 7.212 0.557 19512
1463 1 10 . 1 1 680 680 TRP N N 680 117.076 117.076 119.424 -2.348 19512
1464 1 10 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.294 0.049 19512
1465 1 10 . 1 1 680 680 TRP C C 680 176.337 176.337 177.087 -0.750 19512
1466 1 10 . 1 1 680 680 TRP CA C 680 58.707 58.707 60.399 -1.692 19512
1467 1 10 . 1 1 680 680 TRP CB C 680 29.231 29.231 29.590 -0.359 19512
1468 1 10 . 1 1 680 680 TRP H H 680 7.531 7.531 7.577 -0.046 19512
1469 1 10 . 1 1 681 681 TYR N N 681 116.306 116.306 117.371 -1.065 19512
1470 1 10 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.367 -0.158 19512
1471 1 10 . 1 1 681 681 TYR C C 681 175.629 175.629 176.043 -0.414 19512
1472 1 10 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.353 -0.888 19512
1473 1 10 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.170 -0.100 19512
1474 1 10 . 1 1 681 681 TYR H H 681 7.460 7.460 7.583 -0.123 19512
1475 1 10 . 1 1 682 682 ILE N N 682 115.813 115.813 119.017 -3.204 19512
1476 1 10 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.146 0.012 19512
1477 1 10 . 1 1 682 682 ILE C C 682 174.365 174.365 175.097 -0.732 19512
1478 1 10 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.100 1.179 19512
1479 1 10 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.853 1.943 19512
1480 1 10 . 1 1 682 682 ILE H H 682 7.495 7.495 7.554 -0.059 19512
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 2.105 0.444 2.102 19512
2 1 1 "Average Difference" HA 25 0.165 0.084 0.145 19512
3 1 1 "Average Difference" C 25 0.793 0.184 0.787 19512
4 1 1 "Average Difference" CA 25 1.331 -0.074 1.356 19512
5 1 1 "Average Difference" CB 25 0.926 -0.237 0.914 19512
6 1 1 "Average Difference" HN 24 0.383 -0.108 0.376 19512
7 1 2 "Average Difference" N 24 2.477 0.944 2.339 19512
8 1 2 "Average Difference" HA 25 0.265 0.041 0.268 19512
9 1 2 "Average Difference" C 25 0.642 0.076 0.650 19512
10 1 2 "Average Difference" CA 25 1.123 -0.206 1.127 19512
11 1 2 "Average Difference" CB 25 0.855 -0.337 0.802 19512
12 1 2 "Average Difference" HN 24 0.380 -0.168 0.348 19512
13 1 3 "Average Difference" N 24 2.359 0.462 2.363 19512
14 1 3 "Average Difference" HA 25 0.161 0.088 0.137 19512
15 1 3 "Average Difference" C 25 0.721 0.146 0.721 19512
16 1 3 "Average Difference" CA 25 1.228 -0.079 1.251 19512
17 1 3 "Average Difference" CB 25 0.956 -0.212 0.951 19512
18 1 3 "Average Difference" HN 24 0.382 -0.070 0.384 19512
19 1 4 "Average Difference" N 24 2.103 0.631 2.049 19512
20 1 4 "Average Difference" HA 25 0.185 0.075 0.172 19512
21 1 4 "Average Difference" C 25 0.795 0.143 0.798 19512
22 1 4 "Average Difference" CA 25 1.196 -0.110 1.215 19512
23 1 4 "Average Difference" CB 25 0.906 -0.271 0.883 19512
24 1 4 "Average Difference" HN 24 0.375 -0.051 0.379 19512
25 1 5 "Average Difference" N 24 2.683 0.220 2.731 19512
26 1 5 "Average Difference" HA 25 0.158 0.077 0.141 19512
27 1 5 "Average Difference" C 25 0.682 0.194 0.667 19512
28 1 5 "Average Difference" CA 25 1.309 -0.103 1.332 19512
29 1 5 "Average Difference" CB 25 1.009 -0.332 0.972 19512
30 1 5 "Average Difference" HN 24 0.382 -0.083 0.381 19512
31 1 6 "Average Difference" N 24 2.286 0.791 2.191 19512
32 1 6 "Average Difference" HA 25 0.138 0.070 0.122 19512
33 1 6 "Average Difference" C 25 0.784 0.165 0.782 19512
34 1 6 "Average Difference" CA 25 1.107 0.037 1.129 19512
35 1 6 "Average Difference" CB 25 1.076 -0.303 1.054 19512
36 1 6 "Average Difference" HN 24 0.386 -0.086 0.384 19512
37 1 7 "Average Difference" N 24 2.399 0.491 2.399 19512
38 1 7 "Average Difference" HA 25 0.304 -0.012 0.310 19512
39 1 7 "Average Difference" C 25 0.727 -0.062 0.739 19512
40 1 7 "Average Difference" CA 25 1.152 -0.431 1.090 19512
41 1 7 "Average Difference" CB 25 1.104 -0.425 1.040 19512
42 1 7 "Average Difference" HN 24 0.518 -0.177 0.497 19512
43 1 8 "Average Difference" N 24 2.013 0.597 1.964 19512
44 1 8 "Average Difference" HA 25 0.141 0.051 0.135 19512
45 1 8 "Average Difference" C 25 0.791 0.020 0.807 19512
46 1 8 "Average Difference" CA 25 1.173 -0.159 1.186 19512
47 1 8 "Average Difference" CB 25 0.961 -0.313 0.928 19512
48 1 8 "Average Difference" HN 24 0.390 -0.125 0.377 19512
49 1 9 "Average Difference" N 24 2.677 0.739 2.629 19512
50 1 9 "Average Difference" HA 25 0.219 0.033 0.221 19512
51 1 9 "Average Difference" C 25 0.655 -0.018 0.669 19512
52 1 9 "Average Difference" CA 25 1.256 -0.436 1.203 19512
53 1 9 "Average Difference" CB 25 0.984 -0.418 0.909 19512
54 1 9 "Average Difference" HN 24 0.429 -0.115 0.423 19512
55 1 10 "Average Difference" N 24 2.219 0.366 2.236 19512
56 1 10 "Average Difference" HA 25 0.169 0.096 0.142 19512
57 1 10 "Average Difference" C 25 0.766 0.167 0.763 19512
58 1 10 "Average Difference" CA 25 1.254 -0.128 1.273 19512
59 1 10 "Average Difference" CB 25 0.858 -0.280 0.828 19512
60 1 10 "Average Difference" HN 24 0.403 -0.157 0.379 19512
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 19512
_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 GLN HA H 658 4.323 4.323 4.545 -0.223 19512
2 1 . 1 1 658 658 GLN C C 658 175.454 175.454 174.771 0.683 19512
3 1 . 1 1 658 658 GLN CA C 658 56.398 56.398 55.387 1.011 19512
4 1 . 1 1 658 658 GLN CB C 658 29.275 29.275 30.141 -0.866 19512
5 1 . 1 1 659 659 GLU N N 659 122.875 122.875 121.740 1.135 19512
6 1 . 1 1 659 659 GLU HA H 659 4.282 4.282 4.390 -0.108 19512
7 1 . 1 1 659 659 GLU C C 659 176.491 176.491 176.845 -0.354 19512
8 1 . 1 1 659 659 GLU CA C 659 57.090 57.090 56.183 0.907 19512
9 1 . 1 1 659 659 GLU CB C 659 30.180 30.180 29.885 0.295 19512
10 1 . 1 1 659 659 GLU H H 659 8.705 8.705 8.626 0.079 19512
11 1 . 1 1 660 660 LEU N N 660 122.615 122.615 122.092 0.523 19512
12 1 . 1 1 660 660 LEU HA H 660 4.303 4.303 4.344 -0.041 19512
13 1 . 1 1 660 660 LEU C C 660 176.867 176.867 176.757 0.110 19512
14 1 . 1 1 660 660 LEU CA C 660 55.876 55.876 55.259 0.617 19512
15 1 . 1 1 660 660 LEU CB C 660 42.573 42.573 41.989 0.584 19512
16 1 . 1 1 660 660 LEU H H 660 8.446 8.446 8.463 -0.017 19512
17 1 . 1 1 661 661 LEU N N 661 120.426 120.426 116.662 3.764 19512
18 1 . 1 1 661 661 LEU HA H 661 4.386 4.386 4.557 -0.171 19512
19 1 . 1 1 661 661 LEU C C 661 176.745 176.745 177.126 -0.381 19512
20 1 . 1 1 661 661 LEU CA C 661 54.982 54.982 54.521 0.461 19512
21 1 . 1 1 661 661 LEU CB C 661 42.712 42.712 41.692 1.020 19512
22 1 . 1 1 661 661 LEU H H 661 8.083 8.083 7.781 0.301 19512
23 1 . 1 1 662 662 GLU N N 662 121.380 121.380 119.805 1.575 19512
24 1 . 1 1 662 662 GLU HA H 662 4.365 4.365 4.454 -0.089 19512
25 1 . 1 1 662 662 GLU C C 662 176.785 176.785 177.323 -0.538 19512
26 1 . 1 1 662 662 GLU CA C 662 56.426 56.426 55.782 0.644 19512
27 1 . 1 1 662 662 GLU CB C 662 29.979 29.979 31.003 -1.024 19512
28 1 . 1 1 662 662 GLU H H 662 8.290 8.290 7.577 0.713 19512
29 1 . 1 1 663 663 LEU N N 663 122.863 122.863 124.015 -1.152 19512
30 1 . 1 1 663 663 LEU HA H 663 4.176 4.176 4.164 0.012 19512
31 1 . 1 1 663 663 LEU C C 663 177.682 177.682 178.118 -0.436 19512
32 1 . 1 1 663 663 LEU CA C 663 56.932 56.932 57.895 -0.963 19512
33 1 . 1 1 663 663 LEU CB C 663 42.377 42.377 41.976 0.401 19512
34 1 . 1 1 663 663 LEU H H 663 8.295 8.295 8.810 -0.516 19512
35 1 . 1 1 664 664 ASP N N 664 118.481 118.481 119.638 -1.157 19512
36 1 . 1 1 664 664 ASP HA H 664 4.469 4.469 4.422 0.047 19512
37 1 . 1 1 664 664 ASP C C 664 177.764 177.764 178.612 -0.848 19512
38 1 . 1 1 664 664 ASP CA C 664 55.797 55.797 57.709 -1.912 19512
39 1 . 1 1 664 664 ASP CB C 664 40.721 40.721 40.115 0.606 19512
40 1 . 1 1 664 664 ASP H H 664 8.524 8.524 8.571 -0.048 19512
41 1 . 1 1 665 665 LYS N N 665 120.499 120.499 118.723 1.776 19512
42 1 . 1 1 665 665 LYS HA H 665 4.101 4.101 4.088 0.013 19512
43 1 . 1 1 665 665 LYS C C 665 177.845 177.845 178.314 -0.469 19512
44 1 . 1 1 665 665 LYS CA C 665 58.259 58.259 58.836 -0.577 19512
45 1 . 1 1 665 665 LYS CB C 665 32.295 32.295 32.321 -0.026 19512
46 1 . 1 1 665 665 LYS H H 665 8.029 8.029 8.064 -0.035 19512
47 1 . 1 1 666 666 TRP N N 666 119.813 119.813 118.584 1.230 19512
48 1 . 1 1 666 666 TRP HA H 666 4.530 4.530 4.629 -0.099 19512
49 1 . 1 1 666 666 TRP C C 666 177.158 177.158 177.500 -0.342 19512
50 1 . 1 1 666 666 TRP CA C 666 58.936 58.936 58.765 0.171 19512
51 1 . 1 1 666 666 TRP CB C 666 29.208 29.208 30.089 -0.881 19512
52 1 . 1 1 666 666 TRP H H 666 7.927 7.927 7.614 0.313 19512
53 1 . 1 1 667 667 ALA N N 667 121.451 121.451 122.648 -1.197 19512
54 1 . 1 1 667 667 ALA HA H 667 4.130 4.130 4.169 -0.039 19512
55 1 . 1 1 667 667 ALA C C 667 180.006 180.006 179.273 0.733 19512
56 1 . 1 1 667 667 ALA CA C 667 55.167 55.167 55.244 -0.077 19512
57 1 . 1 1 667 667 ALA CB C 667 18.602 18.602 18.086 0.516 19512
58 1 . 1 1 667 667 ALA H H 667 8.166 8.166 8.243 -0.077 19512
59 1 . 1 1 668 668 SER N N 668 113.231 113.231 113.343 -0.112 19512
60 1 . 1 1 668 668 SER HA H 668 4.308 4.308 4.359 -0.051 19512
61 1 . 1 1 668 668 SER C C 668 176.031 176.031 176.532 -0.501 19512
62 1 . 1 1 668 668 SER CA C 668 61.301 61.301 61.007 0.294 19512
63 1 . 1 1 668 668 SER CB C 668 63.049 63.049 63.146 -0.097 19512
64 1 . 1 1 668 668 SER H H 668 8.145 8.145 7.955 0.190 19512
65 1 . 1 1 669 669 LEU N N 669 122.954 122.954 122.616 0.338 19512
66 1 . 1 1 669 669 LEU HA H 669 4.174 4.174 4.392 -0.218 19512
67 1 . 1 1 669 669 LEU C C 669 178.390 178.390 178.402 -0.012 19512
68 1 . 1 1 669 669 LEU CA C 669 57.880 57.880 58.187 -0.306 19512
69 1 . 1 1 669 669 LEU CB C 669 41.912 41.912 42.093 -0.181 19512
70 1 . 1 1 669 669 LEU H H 669 7.856 7.856 7.552 0.304 19512
71 1 . 1 1 670 670 TRP N N 670 118.401 118.401 121.174 -2.773 19512
72 1 . 1 1 670 670 TRP HA H 670 4.558 4.558 4.373 0.185 19512
73 1 . 1 1 670 670 TRP C C 670 177.987 177.987 177.848 0.139 19512
74 1 . 1 1 670 670 TRP CA C 670 60.048 60.048 61.284 -1.236 19512
75 1 . 1 1 670 670 TRP CB C 670 29.500 29.500 29.663 -0.163 19512
76 1 . 1 1 670 670 TRP H H 670 8.058 8.058 7.818 0.240 19512
77 1 . 1 1 671 671 ALA N N 671 120.051 120.051 120.416 -0.365 19512
78 1 . 1 1 671 671 ALA HA H 671 4.091 4.091 4.304 -0.213 19512
79 1 . 1 1 671 671 ALA C C 671 179.353 179.353 178.365 0.988 19512
80 1 . 1 1 671 671 ALA CA C 671 54.865 54.865 54.384 0.481 19512
81 1 . 1 1 671 671 ALA CB C 671 18.397 18.397 18.131 0.266 19512
82 1 . 1 1 671 671 ALA H H 671 8.022 8.022 7.838 0.184 19512
83 1 . 1 1 672 672 TRP N N 672 118.053 118.053 119.548 -1.495 19512
84 1 . 1 1 672 672 TRP HA H 672 4.331 4.331 4.327 0.004 19512
85 1 . 1 1 672 672 TRP C C 672 177.849 177.849 178.357 -0.508 19512
86 1 . 1 1 672 672 TRP CA C 672 60.326 60.326 60.646 -0.320 19512
87 1 . 1 1 672 672 TRP CB C 672 29.265 29.265 29.663 -0.398 19512
88 1 . 1 1 672 672 TRP H H 672 7.933 7.933 7.569 0.364 19512
89 1 . 1 1 673 673 PHE N N 673 118.403 118.403 118.255 0.148 19512
90 1 . 1 1 673 673 PHE HA H 673 4.117 4.117 4.068 0.049 19512
91 1 . 1 1 673 673 PHE C C 673 176.493 176.493 176.806 -0.313 19512
92 1 . 1 1 673 673 PHE CA C 673 60.158 60.158 61.764 -1.606 19512
93 1 . 1 1 673 673 PHE CB C 673 39.143 39.143 38.686 0.458 19512
94 1 . 1 1 673 673 PHE H H 673 8.156 8.156 7.851 0.305 19512
95 1 . 1 1 674 674 ALA N N 674 120.989 120.989 119.291 1.698 19512
96 1 . 1 1 674 674 ALA HA H 674 4.081 4.081 4.311 -0.230 19512
97 1 . 1 1 674 674 ALA C C 674 178.757 178.757 177.987 0.770 19512
98 1 . 1 1 674 674 ALA CA C 674 54.073 54.073 52.152 1.921 19512
99 1 . 1 1 674 674 ALA CB C 674 18.369 18.369 18.520 -0.151 19512
100 1 . 1 1 674 674 ALA H H 674 7.894 7.894 7.896 -0.002 19512
101 1 . 1 1 675 675 ILE N N 675 116.059 116.059 120.085 -4.026 19512
102 1 . 1 1 675 675 ILE HA H 675 3.903 3.903 4.048 -0.145 19512
103 1 . 1 1 675 675 ILE C C 675 176.905 176.905 175.376 1.529 19512
104 1 . 1 1 675 675 ILE CA C 675 63.030 63.030 61.097 1.933 19512
105 1 . 1 1 675 675 ILE CB C 675 38.441 38.441 35.329 3.112 19512
106 1 . 1 1 675 675 ILE H H 675 7.817 7.817 7.909 -0.092 19512
107 1 . 1 1 676 676 THR N N 676 113.208 113.208 116.947 -3.739 19512
108 1 . 1 1 676 676 THR HA H 676 3.879 3.879 3.912 -0.033 19512
109 1 . 1 1 676 676 THR C C 676 175.302 175.302 174.581 0.721 19512
110 1 . 1 1 676 676 THR CA C 676 64.650 64.650 62.149 2.501 19512
111 1 . 1 1 676 676 THR CB C 676 69.044 69.044 68.373 0.671 19512
112 1 . 1 1 676 676 THR H H 676 7.714 7.714 8.205 -0.491 19512
113 1 . 1 1 677 677 ASN N N 677 119.245 119.245 119.520 -0.275 19512
114 1 . 1 1 677 677 ASN HA H 677 4.552 4.552 4.562 -0.010 19512
115 1 . 1 1 677 677 ASN C C 677 175.961 175.961 176.158 -0.197 19512
116 1 . 1 1 677 677 ASN CA C 677 54.780 54.780 54.491 0.289 19512
117 1 . 1 1 677 677 ASN CB C 677 38.428 38.428 38.389 0.039 19512
118 1 . 1 1 677 677 ASN H H 677 7.976 7.976 8.030 -0.053 19512
119 1 . 1 1 678 678 TRP N N 678 119.308 119.308 117.507 1.801 19512
120 1 . 1 1 678 678 TRP HA H 678 4.580 4.580 4.865 -0.285 19512
121 1 . 1 1 678 678 TRP C C 678 176.863 176.863 177.027 -0.164 19512
122 1 . 1 1 678 678 TRP CA C 678 58.992 58.992 57.327 1.665 19512
123 1 . 1 1 678 678 TRP CB C 678 29.686 29.686 28.962 0.724 19512
124 1 . 1 1 678 678 TRP H H 678 7.801 7.801 7.188 0.613 19512
125 1 . 1 1 679 679 LEU N N 679 117.827 117.827 120.877 -3.050 19512
126 1 . 1 1 679 679 LEU HA H 679 3.968 3.968 3.788 0.180 19512
127 1 . 1 1 679 679 LEU C C 679 177.391 177.391 178.741 -1.350 19512
128 1 . 1 1 679 679 LEU CA C 679 56.758 56.758 57.420 -0.662 19512
129 1 . 1 1 679 679 LEU CB C 679 41.751 41.751 40.994 0.757 19512
130 1 . 1 1 679 679 LEU H H 679 7.769 7.769 6.881 0.888 19512
131 1 . 1 1 680 680 TRP N N 680 117.076 117.076 119.235 -2.159 19512
132 1 . 1 1 680 680 TRP HA H 680 4.343 4.343 4.335 0.008 19512
133 1 . 1 1 680 680 TRP C C 680 176.337 176.337 177.257 -0.920 19512
134 1 . 1 1 680 680 TRP CA C 680 58.707 58.707 59.911 -1.204 19512
135 1 . 1 1 680 680 TRP CB C 680 29.231 29.231 29.029 0.202 19512
136 1 . 1 1 680 680 TRP H H 680 7.531 7.531 7.807 -0.276 19512
137 1 . 1 1 681 681 TYR N N 681 116.306 116.306 118.855 -2.549 19512
138 1 . 1 1 681 681 TYR HA H 681 4.209 4.209 4.187 0.022 19512
139 1 . 1 1 681 681 TYR C C 681 175.629 175.629 175.863 -0.234 19512
140 1 . 1 1 681 681 TYR CA C 681 59.465 59.465 60.240 -0.775 19512
141 1 . 1 1 681 681 TYR CB C 681 39.070 39.070 39.126 -0.056 19512
142 1 . 1 1 681 681 TYR H H 681 7.460 7.460 7.551 -0.091 19512
143 1 . 1 1 682 682 ILE N N 682 115.813 115.813 119.398 -3.585 19512
144 1 . 1 1 682 682 ILE HA H 682 4.158 4.158 4.232 -0.074 19512
145 1 . 1 1 682 682 ILE C C 682 174.365 174.365 175.006 -0.641 19512
146 1 . 1 1 682 682 ILE CA C 682 61.279 61.279 60.311 0.968 19512
147 1 . 1 1 682 682 ILE CB C 682 38.796 38.796 36.777 2.019 19512
148 1 . 1 1 682 682 ILE H H 682 7.495 7.495 7.560 -0.065 19512
stop_
save_