data_18737
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18737
_Entry.PDB_ID 2LZ6
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 18737
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLN N N 2 122.408 122.408 123.288 -0.880 18737
2 1 1 . 1 1 2 2 GLN H H 2 8.945 8.945 8.456 0.489 18737
3 1 1 . 1 1 3 3 ILE N N 3 114.615 114.615 116.389 -1.774 18737
4 1 1 . 1 1 3 3 ILE H H 3 8.299 8.299 8.054 0.245 18737
5 1 1 . 1 1 4 4 PHE N N 4 118.379 118.379 121.986 -3.607 18737
6 1 1 . 1 1 4 4 PHE H H 4 8.579 8.579 8.988 -0.409 18737
7 1 1 . 1 1 5 5 VAL N N 5 120.954 120.954 122.948 -1.994 18737
8 1 1 . 1 1 5 5 VAL H H 5 9.296 9.296 8.977 0.319 18737
9 1 1 . 1 1 6 6 LYS N N 6 127.447 127.447 128.934 -1.487 18737
10 1 1 . 1 1 6 6 LYS H H 6 8.879 8.879 8.347 0.532 18737
11 1 1 . 1 1 7 7 THR N N 7 115.299 115.299 114.639 0.660 18737
12 1 1 . 1 1 7 7 THR H H 7 8.744 8.744 7.939 0.805 18737
13 1 1 . 1 1 8 8 LEU N N 8 120.685 120.685 120.945 -0.260 18737
14 1 1 . 1 1 8 8 LEU H H 8 9.034 9.034 9.010 0.024 18737
15 1 1 . 1 1 9 9 THR N N 9 105.749 105.749 111.366 -5.617 18737
16 1 1 . 1 1 9 9 THR H H 9 7.669 7.669 7.570 0.099 18737
17 1 1 . 1 1 10 10 GLY N N 10 108.810 108.810 108.445 0.365 18737
18 1 1 . 1 1 10 10 GLY H H 10 7.833 7.833 7.550 0.283 18737
19 1 1 . 1 1 11 11 LYS N N 11 121.383 121.383 121.656 -0.273 18737
20 1 1 . 1 1 11 11 LYS H H 11 7.259 7.259 7.796 -0.537 18737
21 1 1 . 1 1 12 12 THR N N 12 120.278 120.278 118.535 1.743 18737
22 1 1 . 1 1 12 12 THR H H 12 8.651 8.651 8.246 0.405 18737
23 1 1 . 1 1 13 13 ILE N N 13 127.477 127.477 126.824 0.653 18737
24 1 1 . 1 1 13 13 ILE H H 13 9.540 9.540 8.510 1.030 18737
25 1 1 . 1 1 14 14 THR N N 14 121.613 121.613 118.083 3.530 18737
26 1 1 . 1 1 14 14 THR H H 14 8.750 8.750 8.430 0.320 18737
27 1 1 . 1 1 15 15 LEU N N 15 124.946 124.946 122.204 2.742 18737
28 1 1 . 1 1 15 15 LEU H H 15 8.729 8.729 8.297 0.432 18737
29 1 1 . 1 1 16 16 GLU N N 16 122.227 122.227 124.459 -2.232 18737
30 1 1 . 1 1 16 16 GLU H H 16 8.141 8.141 8.447 -0.306 18737
31 1 1 . 1 1 17 17 VAL N N 17 117.285 117.285 120.956 -3.671 18737
32 1 1 . 1 1 17 17 VAL H H 17 8.941 8.941 7.881 1.060 18737
33 1 1 . 1 1 18 18 GLU N N 18 118.997 118.997 125.574 -6.577 18737
34 1 1 . 1 1 18 18 GLU H H 18 8.659 8.659 8.448 0.211 18737
35 1 1 . 1 1 20 20 SER N N 20 103.080 103.080 110.699 -7.619 18737
36 1 1 . 1 1 20 20 SER H H 20 7.035 7.035 8.207 -1.172 18737
37 1 1 . 1 1 21 21 ASP N N 21 123.134 123.134 123.992 -0.858 18737
38 1 1 . 1 1 21 21 ASP H H 21 8.003 8.003 7.559 0.444 18737
39 1 1 . 1 1 22 22 THR N N 22 108.684 108.684 112.324 -3.640 18737
40 1 1 . 1 1 22 22 THR H H 22 7.893 7.893 8.125 -0.232 18737
41 1 1 . 1 1 23 23 ILE N N 23 120.936 120.936 123.990 -3.054 18737
42 1 1 . 1 1 23 23 ILE H H 23 8.543 8.543 8.965 -0.422 18737
43 1 1 . 1 1 24 24 GLU N N 24 120.830 120.830 120.193 0.637 18737
44 1 1 . 1 1 24 24 GLU H H 24 9.760 9.760 8.101 1.659 18737
45 1 1 . 1 1 25 25 ASN N N 25 121.026 121.026 117.720 3.306 18737
46 1 1 . 1 1 25 25 ASN H H 25 7.927 7.927 7.542 0.385 18737
47 1 1 . 1 1 26 26 VAL N N 26 121.828 121.828 120.335 1.493 18737
48 1 1 . 1 1 26 26 VAL H H 26 8.103 8.103 8.057 0.046 18737
49 1 1 . 1 1 27 27 LYS N N 27 118.641 118.641 119.319 -0.678 18737
50 1 1 . 1 1 27 27 LYS H H 27 8.577 8.577 8.102 0.475 18737
51 1 1 . 1 1 28 28 ALA N N 28 123.566 123.566 122.129 1.437 18737
52 1 1 . 1 1 28 28 ALA H H 28 8.055 8.055 7.665 0.390 18737
53 1 1 . 1 1 29 29 LYS N N 29 119.910 119.910 119.229 0.681 18737
54 1 1 . 1 1 29 29 LYS H H 29 7.873 7.873 7.742 0.131 18737
55 1 1 . 1 1 30 30 ILE N N 30 120.937 120.937 119.877 1.060 18737
56 1 1 . 1 1 30 30 ILE H H 30 8.262 8.262 8.194 0.068 18737
57 1 1 . 1 1 31 31 GLN N N 31 123.250 123.250 119.418 3.832 18737
58 1 1 . 1 1 31 31 GLN H H 31 8.572 8.572 8.219 0.353 18737
59 1 1 . 1 1 32 32 ASP N N 32 119.468 119.468 118.767 0.701 18737
60 1 1 . 1 1 32 32 ASP H H 32 8.052 8.052 7.645 0.407 18737
61 1 1 . 1 1 33 33 LYS N N 33 115.157 115.157 119.035 -3.878 18737
62 1 1 . 1 1 33 33 LYS H H 33 7.447 7.447 7.471 -0.024 18737
63 1 1 . 1 1 34 34 GLU N N 34 113.856 113.856 117.349 -3.493 18737
64 1 1 . 1 1 34 34 GLU H H 34 8.719 8.719 8.264 0.455 18737
65 1 1 . 1 1 35 35 GLY N N 35 108.551 108.551 107.360 1.191 18737
66 1 1 . 1 1 35 35 GLY H H 35 8.507 8.507 7.748 0.759 18737
67 1 1 . 1 1 36 36 ILE N N 36 119.943 119.943 117.520 2.423 18737
68 1 1 . 1 1 36 36 ILE H H 36 6.147 6.147 7.645 -1.498 18737
69 1 1 . 1 1 39 39 ASP N N 39 113.228 113.228 116.480 -3.252 18737
70 1 1 . 1 1 39 39 ASP H H 39 8.540 8.540 8.705 -0.165 18737
71 1 1 . 1 1 40 40 GLN N N 40 116.604 116.604 116.402 0.202 18737
72 1 1 . 1 1 40 40 GLN H H 40 7.761 7.761 7.455 0.306 18737
73 1 1 . 1 1 41 41 GLN N N 41 117.236 117.236 119.370 -2.134 18737
74 1 1 . 1 1 41 41 GLN H H 41 7.438 7.438 7.323 0.115 18737
75 1 1 . 1 1 42 42 ARG N N 42 122.253 122.253 122.892 -0.639 18737
76 1 1 . 1 1 42 42 ARG H H 42 8.381 8.381 8.234 0.147 18737
77 1 1 . 1 1 43 43 LEU N N 43 123.939 123.939 126.568 -2.629 18737
78 1 1 . 1 1 43 43 LEU H H 43 8.873 8.873 8.799 0.074 18737
79 1 1 . 1 1 44 44 ILE N N 44 122.126 122.126 123.821 -1.695 18737
80 1 1 . 1 1 44 44 ILE H H 44 9.147 9.147 9.073 0.074 18737
81 1 1 . 1 1 45 45 PHE N N 45 125.527 125.527 126.691 -1.164 18737
82 1 1 . 1 1 45 45 PHE H H 45 8.895 8.895 9.088 -0.193 18737
83 1 1 . 1 1 46 46 ALA N N 46 132.646 132.646 129.612 3.034 18737
84 1 1 . 1 1 46 46 ALA H H 46 9.033 9.033 8.577 0.456 18737
85 1 1 . 1 1 47 47 GLY N N 47 102.802 102.802 102.902 -0.100 18737
86 1 1 . 1 1 47 47 GLY H H 47 8.265 8.265 8.347 -0.082 18737
87 1 1 . 1 1 48 48 LYS N N 48 121.141 121.141 121.940 -0.799 18737
88 1 1 . 1 1 48 48 LYS H H 48 7.956 7.956 7.686 0.270 18737
89 1 1 . 1 1 49 49 GLN N N 49 122.737 122.737 122.420 0.317 18737
90 1 1 . 1 1 49 49 GLN H H 49 8.693 8.693 8.493 0.200 18737
91 1 1 . 1 1 50 50 LEU N N 50 125.580 125.580 124.873 0.707 18737
92 1 1 . 1 1 50 50 LEU H H 50 8.575 8.575 8.243 0.332 18737
93 1 1 . 1 1 51 51 GLU N N 51 122.984 122.984 123.583 -0.599 18737
94 1 1 . 1 1 51 51 GLU H H 51 8.406 8.406 8.342 0.064 18737
95 1 1 . 1 1 52 52 ASP N N 52 120.142 120.142 127.675 -7.533 18737
96 1 1 . 1 1 52 52 ASP H H 52 8.163 8.163 8.818 -0.655 18737
97 1 1 . 1 1 53 53 GLY N N 53 108.221 108.221 104.583 3.638 18737
98 1 1 . 1 1 53 53 GLY H H 53 8.290 8.290 8.391 -0.101 18737
99 1 1 . 1 1 54 54 ARG N N 54 119.053 119.053 120.424 -1.371 18737
100 1 1 . 1 1 54 54 ARG H H 54 7.487 7.487 8.019 -0.532 18737
101 1 1 . 1 1 55 55 THR N N 55 108.479 108.479 111.225 -2.746 18737
102 1 1 . 1 1 55 55 THR H H 55 8.833 8.833 8.690 0.143 18737
103 1 1 . 1 1 56 56 LEU N N 56 117.731 117.731 122.192 -4.461 18737
104 1 1 . 1 1 56 56 LEU H H 56 8.141 8.141 8.678 -0.537 18737
105 1 1 . 1 1 57 57 SER N N 57 113.175 113.175 115.134 -1.959 18737
106 1 1 . 1 1 57 57 SER H H 57 8.493 8.493 8.027 0.466 18737
107 1 1 . 1 1 58 58 ASP N N 58 124.176 124.176 123.704 0.472 18737
108 1 1 . 1 1 58 58 ASP H H 58 7.937 7.937 8.294 -0.357 18737
109 1 1 . 1 1 59 59 TYR N N 59 115.426 115.426 115.269 0.157 18737
110 1 1 . 1 1 59 59 TYR H H 59 7.264 7.264 7.680 -0.416 18737
111 1 1 . 1 1 60 60 ASN N N 60 115.641 115.641 117.596 -1.955 18737
112 1 1 . 1 1 60 60 ASN H H 60 8.155 8.155 7.637 0.518 18737
113 1 1 . 1 1 61 61 ILE N N 61 118.537 118.537 120.767 -2.230 18737
114 1 1 . 1 1 61 61 ILE H H 61 7.229 7.229 8.300 -1.071 18737
115 1 1 . 1 1 62 62 GLN N N 62 124.612 124.612 125.843 -1.231 18737
116 1 1 . 1 1 62 62 GLN H H 62 7.632 7.632 8.237 -0.605 18737
117 1 1 . 1 1 63 63 LYS N N 63 120.190 120.190 119.927 0.263 18737
118 1 1 . 1 1 63 63 LYS H H 63 8.495 8.495 8.586 -0.091 18737
119 1 1 . 1 1 64 64 GLU N N 64 114.252 114.252 119.167 -4.915 18737
120 1 1 . 1 1 64 64 GLU H H 64 9.302 9.302 8.450 0.852 18737
121 1 1 . 1 1 65 65 SER N N 65 114.586 114.586 113.086 1.500 18737
122 1 1 . 1 1 65 65 SER H H 65 7.654 7.654 7.406 0.248 18737
123 1 1 . 1 1 66 66 THR N N 66 117.176 117.176 117.327 -0.151 18737
124 1 1 . 1 1 66 66 THR H H 66 8.735 8.735 8.645 0.090 18737
125 1 1 . 1 1 67 67 LEU N N 67 127.152 127.152 130.606 -3.454 18737
126 1 1 . 1 1 67 67 LEU H H 67 9.359 9.359 9.115 0.244 18737
127 1 1 . 1 1 68 68 HIS N N 68 118.492 118.492 124.869 -6.377 18737
128 1 1 . 1 1 68 68 HIS H H 68 9.111 9.111 8.622 0.489 18737
129 1 1 . 1 1 69 69 LEU N N 69 125.249 125.249 131.163 -5.914 18737
130 1 1 . 1 1 69 69 LEU H H 69 8.721 8.721 8.151 0.570 18737
131 1 1 . 1 1 70 70 VAL N N 70 126.564 126.564 128.191 -1.627 18737
132 1 1 . 1 1 70 70 VAL H H 70 9.191 9.191 8.877 0.314 18737
133 1 1 . 1 1 71 71 LEU N N 71 123.127 123.127 126.548 -3.421 18737
134 1 1 . 1 1 71 71 LEU H H 71 8.065 8.065 8.345 -0.280 18737
135 1 1 . 1 1 72 72 ARG N N 72 123.576 123.576 124.269 -0.693 18737
136 1 1 . 1 1 72 72 ARG H H 72 8.737 8.737 8.865 -0.128 18737
137 1 1 . 1 1 73 73 LEU N N 73 123.544 123.544 124.634 -1.090 18737
138 1 1 . 1 1 73 73 LEU H H 73 8.288 8.288 8.526 -0.238 18737
139 1 1 . 1 1 74 74 ARG N N 74 121.620 121.620 125.378 -3.758 18737
140 1 1 . 1 1 74 74 ARG H H 74 8.486 8.486 8.281 0.205 18737
141 1 1 . 1 1 75 75 GLY N N 75 109.865 109.865 108.670 1.195 18737
142 1 1 . 1 1 75 75 GLY H H 75 8.479 8.479 8.178 0.301 18737
143 1 2 . 1 1 2 2 GLN N N 2 122.408 122.408 118.913 3.495 18737
144 1 2 . 1 1 2 2 GLN H H 2 8.945 8.945 8.370 0.575 18737
145 1 2 . 1 1 3 3 ILE N N 3 114.615 114.615 114.417 0.198 18737
146 1 2 . 1 1 3 3 ILE H H 3 8.299 8.299 8.412 -0.113 18737
147 1 2 . 1 1 4 4 PHE N N 4 118.379 118.379 120.316 -1.937 18737
148 1 2 . 1 1 4 4 PHE H H 4 8.579 8.579 9.071 -0.492 18737
149 1 2 . 1 1 5 5 VAL N N 5 120.954 120.954 121.803 -0.849 18737
150 1 2 . 1 1 5 5 VAL H H 5 9.296 9.296 8.854 0.442 18737
151 1 2 . 1 1 6 6 LYS N N 6 127.447 127.447 128.102 -0.655 18737
152 1 2 . 1 1 6 6 LYS H H 6 8.879 8.879 8.543 0.336 18737
153 1 2 . 1 1 7 7 THR N N 7 115.299 115.299 116.541 -1.242 18737
154 1 2 . 1 1 7 7 THR H H 7 8.744 8.744 8.463 0.281 18737
155 1 2 . 1 1 8 8 LEU N N 8 120.685 120.685 122.117 -1.432 18737
156 1 2 . 1 1 8 8 LEU H H 8 9.034 9.034 8.602 0.432 18737
157 1 2 . 1 1 9 9 THR N N 9 105.749 105.749 106.770 -1.021 18737
158 1 2 . 1 1 9 9 THR H H 9 7.669 7.669 7.669 0.000 18737
159 1 2 . 1 1 10 10 GLY N N 10 108.810 108.810 110.263 -1.453 18737
160 1 2 . 1 1 10 10 GLY H H 10 7.833 7.833 7.850 -0.017 18737
161 1 2 . 1 1 11 11 LYS N N 11 121.383 121.383 122.685 -1.302 18737
162 1 2 . 1 1 11 11 LYS H H 11 7.259 7.259 7.650 -0.391 18737
163 1 2 . 1 1 12 12 THR N N 12 120.278 120.278 119.870 0.408 18737
164 1 2 . 1 1 12 12 THR H H 12 8.651 8.651 8.347 0.304 18737
165 1 2 . 1 1 13 13 ILE N N 13 127.477 127.477 127.618 -0.141 18737
166 1 2 . 1 1 13 13 ILE H H 13 9.540 9.540 9.058 0.482 18737
167 1 2 . 1 1 14 14 THR N N 14 121.613 121.613 120.571 1.042 18737
168 1 2 . 1 1 14 14 THR H H 14 8.750 8.750 8.189 0.561 18737
169 1 2 . 1 1 15 15 LEU N N 15 124.946 124.946 125.791 -0.845 18737
170 1 2 . 1 1 15 15 LEU H H 15 8.729 8.729 8.659 0.070 18737
171 1 2 . 1 1 16 16 GLU N N 16 122.227 122.227 122.384 -0.157 18737
172 1 2 . 1 1 16 16 GLU H H 16 8.141 8.141 8.524 -0.383 18737
173 1 2 . 1 1 17 17 VAL N N 17 117.285 117.285 121.321 -4.036 18737
174 1 2 . 1 1 17 17 VAL H H 17 8.941 8.941 7.952 0.989 18737
175 1 2 . 1 1 18 18 GLU N N 18 118.997 118.997 125.286 -6.289 18737
176 1 2 . 1 1 18 18 GLU H H 18 8.659 8.659 8.227 0.432 18737
177 1 2 . 1 1 20 20 SER N N 20 103.080 103.080 111.851 -8.771 18737
178 1 2 . 1 1 20 20 SER H H 20 7.035 7.035 7.933 -0.898 18737
179 1 2 . 1 1 21 21 ASP N N 21 123.134 123.134 119.756 3.378 18737
180 1 2 . 1 1 21 21 ASP H H 21 8.003 8.003 7.355 0.648 18737
181 1 2 . 1 1 22 22 THR N N 22 108.684 108.684 115.549 -6.865 18737
182 1 2 . 1 1 22 22 THR H H 22 7.893 7.893 8.511 -0.618 18737
183 1 2 . 1 1 23 23 ILE N N 23 120.936 120.936 123.882 -2.946 18737
184 1 2 . 1 1 23 23 ILE H H 23 8.543 8.543 8.967 -0.424 18737
185 1 2 . 1 1 24 24 GLU N N 24 120.830 120.830 120.110 0.720 18737
186 1 2 . 1 1 24 24 GLU H H 24 9.760 9.760 8.196 1.564 18737
187 1 2 . 1 1 25 25 ASN N N 25 121.026 121.026 117.840 3.186 18737
188 1 2 . 1 1 25 25 ASN H H 25 7.927 7.927 7.570 0.357 18737
189 1 2 . 1 1 26 26 VAL N N 26 121.828 121.828 120.601 1.227 18737
190 1 2 . 1 1 26 26 VAL H H 26 8.103 8.103 8.256 -0.153 18737
191 1 2 . 1 1 27 27 LYS N N 27 118.641 118.641 119.635 -0.994 18737
192 1 2 . 1 1 27 27 LYS H H 27 8.577 8.577 8.168 0.409 18737
193 1 2 . 1 1 28 28 ALA N N 28 123.566 123.566 121.681 1.885 18737
194 1 2 . 1 1 28 28 ALA H H 28 8.055 8.055 7.868 0.187 18737
195 1 2 . 1 1 29 29 LYS N N 29 119.910 119.910 119.600 0.310 18737
196 1 2 . 1 1 29 29 LYS H H 29 7.873 7.873 7.506 0.367 18737
197 1 2 . 1 1 30 30 ILE N N 30 120.937 120.937 120.763 0.174 18737
198 1 2 . 1 1 30 30 ILE H H 30 8.262 8.262 8.205 0.057 18737
199 1 2 . 1 1 31 31 GLN N N 31 123.250 123.250 119.886 3.364 18737
200 1 2 . 1 1 31 31 GLN H H 31 8.572 8.572 8.406 0.166 18737
201 1 2 . 1 1 32 32 ASP N N 32 119.468 119.468 117.971 1.497 18737
202 1 2 . 1 1 32 32 ASP H H 32 8.052 8.052 7.841 0.211 18737
203 1 2 . 1 1 33 33 LYS N N 33 115.157 115.157 119.103 -3.946 18737
204 1 2 . 1 1 33 33 LYS H H 33 7.447 7.447 7.441 0.006 18737
205 1 2 . 1 1 34 34 GLU N N 34 113.856 113.856 116.792 -2.936 18737
206 1 2 . 1 1 34 34 GLU H H 34 8.719 8.719 8.411 0.308 18737
207 1 2 . 1 1 35 35 GLY N N 35 108.551 108.551 106.745 1.806 18737
208 1 2 . 1 1 35 35 GLY H H 35 8.507 8.507 7.807 0.700 18737
209 1 2 . 1 1 36 36 ILE N N 36 119.943 119.943 121.779 -1.836 18737
210 1 2 . 1 1 36 36 ILE H H 36 6.147 6.147 7.605 -1.458 18737
211 1 2 . 1 1 39 39 ASP N N 39 113.228 113.228 114.552 -1.324 18737
212 1 2 . 1 1 39 39 ASP H H 39 8.540 8.540 8.687 -0.147 18737
213 1 2 . 1 1 40 40 GLN N N 40 116.604 116.604 117.845 -1.241 18737
214 1 2 . 1 1 40 40 GLN H H 40 7.761 7.761 7.692 0.069 18737
215 1 2 . 1 1 41 41 GLN N N 41 117.236 117.236 120.342 -3.106 18737
216 1 2 . 1 1 41 41 GLN H H 41 7.438 7.438 7.487 -0.049 18737
217 1 2 . 1 1 42 42 ARG N N 42 122.253 122.253 121.207 1.046 18737
218 1 2 . 1 1 42 42 ARG H H 42 8.381 8.381 8.659 -0.278 18737
219 1 2 . 1 1 43 43 LEU N N 43 123.939 123.939 121.158 2.781 18737
220 1 2 . 1 1 43 43 LEU H H 43 8.873 8.873 8.223 0.650 18737
221 1 2 . 1 1 44 44 ILE N N 44 122.126 122.126 121.719 0.407 18737
222 1 2 . 1 1 44 44 ILE H H 44 9.147 9.147 8.229 0.918 18737
223 1 2 . 1 1 45 45 PHE N N 45 125.527 125.527 127.413 -1.886 18737
224 1 2 . 1 1 45 45 PHE H H 45 8.895 8.895 7.948 0.947 18737
225 1 2 . 1 1 46 46 ALA N N 46 132.646 132.646 128.403 4.243 18737
226 1 2 . 1 1 46 46 ALA H H 46 9.033 9.033 8.985 0.048 18737
227 1 2 . 1 1 47 47 GLY N N 47 102.802 102.802 102.920 -0.118 18737
228 1 2 . 1 1 47 47 GLY H H 47 8.265 8.265 8.021 0.244 18737
229 1 2 . 1 1 48 48 LYS N N 48 121.141 121.141 122.274 -1.133 18737
230 1 2 . 1 1 48 48 LYS H H 48 7.956 7.956 8.180 -0.224 18737
231 1 2 . 1 1 49 49 GLN N N 49 122.737 122.737 119.414 3.323 18737
232 1 2 . 1 1 49 49 GLN H H 49 8.693 8.693 8.301 0.392 18737
233 1 2 . 1 1 50 50 LEU N N 50 125.580 125.580 128.253 -2.673 18737
234 1 2 . 1 1 50 50 LEU H H 50 8.575 8.575 8.266 0.309 18737
235 1 2 . 1 1 51 51 GLU N N 51 122.984 122.984 124.589 -1.605 18737
236 1 2 . 1 1 51 51 GLU H H 51 8.406 8.406 8.299 0.107 18737
237 1 2 . 1 1 52 52 ASP N N 52 120.142 120.142 127.415 -7.273 18737
238 1 2 . 1 1 52 52 ASP H H 52 8.163 8.163 8.862 -0.699 18737
239 1 2 . 1 1 53 53 GLY N N 53 108.221 108.221 107.868 0.353 18737
240 1 2 . 1 1 53 53 GLY H H 53 8.290 8.290 8.285 0.005 18737
241 1 2 . 1 1 54 54 ARG N N 54 119.053 119.053 119.617 -0.564 18737
242 1 2 . 1 1 54 54 ARG H H 54 7.487 7.487 7.941 -0.454 18737
243 1 2 . 1 1 55 55 THR N N 55 108.479 108.479 112.521 -4.042 18737
244 1 2 . 1 1 55 55 THR H H 55 8.833 8.833 7.905 0.928 18737
245 1 2 . 1 1 56 56 LEU N N 56 117.731 117.731 124.184 -6.453 18737
246 1 2 . 1 1 56 56 LEU H H 56 8.141 8.141 8.741 -0.600 18737
247 1 2 . 1 1 57 57 SER N N 57 113.175 113.175 113.881 -0.706 18737
248 1 2 . 1 1 57 57 SER H H 57 8.493 8.493 8.165 0.328 18737
249 1 2 . 1 1 58 58 ASP N N 58 124.176 124.176 122.253 1.923 18737
250 1 2 . 1 1 58 58 ASP H H 58 7.937 7.937 7.839 0.098 18737
251 1 2 . 1 1 59 59 TYR N N 59 115.426 115.426 115.388 0.038 18737
252 1 2 . 1 1 59 59 TYR H H 59 7.264 7.264 7.274 -0.010 18737
253 1 2 . 1 1 60 60 ASN N N 60 115.641 115.641 117.429 -1.788 18737
254 1 2 . 1 1 60 60 ASN H H 60 8.155 8.155 7.664 0.491 18737
255 1 2 . 1 1 61 61 ILE N N 61 118.537 118.537 120.001 -1.464 18737
256 1 2 . 1 1 61 61 ILE H H 61 7.229 7.229 8.133 -0.904 18737
257 1 2 . 1 1 62 62 GLN N N 62 124.612 124.612 125.316 -0.704 18737
258 1 2 . 1 1 62 62 GLN H H 62 7.632 7.632 8.453 -0.821 18737
259 1 2 . 1 1 63 63 LYS N N 63 120.190 120.190 118.706 1.484 18737
260 1 2 . 1 1 63 63 LYS H H 63 8.495 8.495 8.503 -0.008 18737
261 1 2 . 1 1 64 64 GLU N N 64 114.252 114.252 118.392 -4.140 18737
262 1 2 . 1 1 64 64 GLU H H 64 9.302 9.302 8.636 0.666 18737
263 1 2 . 1 1 65 65 SER N N 65 114.586 114.586 113.394 1.192 18737
264 1 2 . 1 1 65 65 SER H H 65 7.654 7.654 7.751 -0.097 18737
265 1 2 . 1 1 66 66 THR N N 66 117.176 117.176 121.009 -3.833 18737
266 1 2 . 1 1 66 66 THR H H 66 8.735 8.735 8.584 0.151 18737
267 1 2 . 1 1 67 67 LEU N N 67 127.152 127.152 128.752 -1.600 18737
268 1 2 . 1 1 67 67 LEU H H 67 9.359 9.359 8.754 0.605 18737
269 1 2 . 1 1 68 68 HIS N N 68 118.492 118.492 124.278 -5.786 18737
270 1 2 . 1 1 68 68 HIS H H 68 9.111 9.111 8.406 0.705 18737
271 1 2 . 1 1 69 69 LEU N N 69 125.249 125.249 128.175 -2.926 18737
272 1 2 . 1 1 69 69 LEU H H 69 8.721 8.721 7.923 0.798 18737
273 1 2 . 1 1 70 70 VAL N N 70 126.564 126.564 116.974 9.590 18737
274 1 2 . 1 1 70 70 VAL H H 70 9.191 9.191 7.895 1.296 18737
275 1 2 . 1 1 71 71 LEU N N 71 123.127 123.127 128.533 -5.406 18737
276 1 2 . 1 1 71 71 LEU H H 71 8.065 8.065 8.403 -0.338 18737
277 1 2 . 1 1 72 72 ARG N N 72 123.576 123.576 121.421 2.155 18737
278 1 2 . 1 1 72 72 ARG H H 72 8.737 8.737 7.861 0.876 18737
279 1 2 . 1 1 73 73 LEU N N 73 123.544 123.544 126.306 -2.762 18737
280 1 2 . 1 1 73 73 LEU H H 73 8.288 8.288 8.721 -0.433 18737
281 1 2 . 1 1 74 74 ARG N N 74 121.620 121.620 119.950 1.670 18737
282 1 2 . 1 1 74 74 ARG H H 74 8.486 8.486 8.387 0.099 18737
283 1 2 . 1 1 75 75 GLY N N 75 109.865 109.865 107.338 2.527 18737
284 1 2 . 1 1 75 75 GLY H H 75 8.479 8.479 8.456 0.023 18737
285 1 3 . 1 1 2 2 GLN N N 2 122.408 122.408 121.788 0.620 18737
286 1 3 . 1 1 2 2 GLN H H 2 8.945 8.945 8.440 0.505 18737
287 1 3 . 1 1 3 3 ILE N N 3 114.615 114.615 114.028 0.587 18737
288 1 3 . 1 1 3 3 ILE H H 3 8.299 8.299 7.918 0.381 18737
289 1 3 . 1 1 4 4 PHE N N 4 118.379 118.379 122.249 -3.870 18737
290 1 3 . 1 1 4 4 PHE H H 4 8.579 8.579 9.281 -0.702 18737
291 1 3 . 1 1 5 5 VAL N N 5 120.954 120.954 123.503 -2.549 18737
292 1 3 . 1 1 5 5 VAL H H 5 9.296 9.296 9.048 0.248 18737
293 1 3 . 1 1 6 6 LYS N N 6 127.447 127.447 128.519 -1.072 18737
294 1 3 . 1 1 6 6 LYS H H 6 8.879 8.879 8.619 0.260 18737
295 1 3 . 1 1 7 7 THR N N 7 115.299 115.299 110.585 4.714 18737
296 1 3 . 1 1 7 7 THR H H 7 8.744 8.744 7.932 0.812 18737
297 1 3 . 1 1 8 8 LEU N N 8 120.685 120.685 120.007 0.678 18737
298 1 3 . 1 1 8 8 LEU H H 8 9.034 9.034 8.980 0.054 18737
299 1 3 . 1 1 9 9 THR N N 9 105.749 105.749 108.056 -2.307 18737
300 1 3 . 1 1 9 9 THR H H 9 7.669 7.669 7.617 0.052 18737
301 1 3 . 1 1 10 10 GLY N N 10 108.810 108.810 111.307 -2.497 18737
302 1 3 . 1 1 10 10 GLY H H 10 7.833 7.833 7.742 0.091 18737
303 1 3 . 1 1 11 11 LYS N N 11 121.383 121.383 122.467 -1.084 18737
304 1 3 . 1 1 11 11 LYS H H 11 7.259 7.259 8.034 -0.775 18737
305 1 3 . 1 1 12 12 THR N N 12 120.278 120.278 117.427 2.851 18737
306 1 3 . 1 1 12 12 THR H H 12 8.651 8.651 8.173 0.478 18737
307 1 3 . 1 1 13 13 ILE N N 13 127.477 127.477 121.563 5.914 18737
308 1 3 . 1 1 13 13 ILE H H 13 9.540 9.540 8.284 1.256 18737
309 1 3 . 1 1 14 14 THR N N 14 121.613 121.613 121.061 0.552 18737
310 1 3 . 1 1 14 14 THR H H 14 8.750 8.750 8.281 0.469 18737
311 1 3 . 1 1 15 15 LEU N N 15 124.946 124.946 126.480 -1.534 18737
312 1 3 . 1 1 15 15 LEU H H 15 8.729 8.729 8.641 0.088 18737
313 1 3 . 1 1 16 16 GLU N N 16 122.227 122.227 122.056 0.171 18737
314 1 3 . 1 1 16 16 GLU H H 16 8.141 8.141 8.570 -0.429 18737
315 1 3 . 1 1 17 17 VAL N N 17 117.285 117.285 120.320 -3.035 18737
316 1 3 . 1 1 17 17 VAL H H 17 8.941 8.941 8.191 0.750 18737
317 1 3 . 1 1 18 18 GLU N N 18 118.997 118.997 118.184 0.813 18737
318 1 3 . 1 1 18 18 GLU H H 18 8.659 8.659 8.524 0.135 18737
319 1 3 . 1 1 20 20 SER N N 20 103.080 103.080 111.121 -8.041 18737
320 1 3 . 1 1 20 20 SER H H 20 7.035 7.035 8.073 -1.038 18737
321 1 3 . 1 1 21 21 ASP N N 21 123.134 123.134 121.265 1.869 18737
322 1 3 . 1 1 21 21 ASP H H 21 8.003 8.003 7.479 0.524 18737
323 1 3 . 1 1 22 22 THR N N 22 108.684 108.684 113.701 -5.017 18737
324 1 3 . 1 1 22 22 THR H H 22 7.893 7.893 8.214 -0.321 18737
325 1 3 . 1 1 23 23 ILE N N 23 120.936 120.936 124.374 -3.438 18737
326 1 3 . 1 1 23 23 ILE H H 23 8.543 8.543 8.850 -0.307 18737
327 1 3 . 1 1 24 24 GLU N N 24 120.830 120.830 120.171 0.659 18737
328 1 3 . 1 1 24 24 GLU H H 24 9.760 9.760 8.101 1.659 18737
329 1 3 . 1 1 25 25 ASN N N 25 121.026 121.026 118.340 2.686 18737
330 1 3 . 1 1 25 25 ASN H H 25 7.927 7.927 7.593 0.334 18737
331 1 3 . 1 1 26 26 VAL N N 26 121.828 121.828 120.596 1.232 18737
332 1 3 . 1 1 26 26 VAL H H 26 8.103 8.103 8.104 -0.001 18737
333 1 3 . 1 1 27 27 LYS N N 27 118.641 118.641 119.296 -0.655 18737
334 1 3 . 1 1 27 27 LYS H H 27 8.577 8.577 7.937 0.640 18737
335 1 3 . 1 1 28 28 ALA N N 28 123.566 123.566 121.942 1.624 18737
336 1 3 . 1 1 28 28 ALA H H 28 8.055 8.055 7.623 0.432 18737
337 1 3 . 1 1 29 29 LYS N N 29 119.910 119.910 119.128 0.782 18737
338 1 3 . 1 1 29 29 LYS H H 29 7.873 7.873 7.777 0.096 18737
339 1 3 . 1 1 30 30 ILE N N 30 120.937 120.937 120.261 0.676 18737
340 1 3 . 1 1 30 30 ILE H H 30 8.262 8.262 8.068 0.194 18737
341 1 3 . 1 1 31 31 GLN N N 31 123.250 123.250 120.111 3.139 18737
342 1 3 . 1 1 31 31 GLN H H 31 8.572 8.572 8.211 0.361 18737
343 1 3 . 1 1 32 32 ASP N N 32 119.468 119.468 118.801 0.667 18737
344 1 3 . 1 1 32 32 ASP H H 32 8.052 8.052 7.759 0.293 18737
345 1 3 . 1 1 33 33 LYS N N 33 115.157 115.157 119.618 -4.461 18737
346 1 3 . 1 1 33 33 LYS H H 33 7.447 7.447 7.509 -0.062 18737
347 1 3 . 1 1 34 34 GLU N N 34 113.856 113.856 117.164 -3.308 18737
348 1 3 . 1 1 34 34 GLU H H 34 8.719 8.719 8.335 0.384 18737
349 1 3 . 1 1 35 35 GLY N N 35 108.551 108.551 106.692 1.859 18737
350 1 3 . 1 1 35 35 GLY H H 35 8.507 8.507 7.929 0.578 18737
351 1 3 . 1 1 36 36 ILE N N 36 119.943 119.943 123.287 -3.344 18737
352 1 3 . 1 1 36 36 ILE H H 36 6.147 6.147 7.838 -1.691 18737
353 1 3 . 1 1 39 39 ASP N N 39 113.228 113.228 115.917 -2.689 18737
354 1 3 . 1 1 39 39 ASP H H 39 8.540 8.540 8.734 -0.194 18737
355 1 3 . 1 1 40 40 GLN N N 40 116.604 116.604 115.858 0.746 18737
356 1 3 . 1 1 40 40 GLN H H 40 7.761 7.761 7.647 0.114 18737
357 1 3 . 1 1 41 41 GLN N N 41 117.236 117.236 118.994 -1.758 18737
358 1 3 . 1 1 41 41 GLN H H 41 7.438 7.438 7.083 0.355 18737
359 1 3 . 1 1 42 42 ARG N N 42 122.253 122.253 126.086 -3.833 18737
360 1 3 . 1 1 42 42 ARG H H 42 8.381 8.381 8.241 0.140 18737
361 1 3 . 1 1 43 43 LEU N N 43 123.939 123.939 128.519 -4.580 18737
362 1 3 . 1 1 43 43 LEU H H 43 8.873 8.873 8.865 0.008 18737
363 1 3 . 1 1 44 44 ILE N N 44 122.126 122.126 123.501 -1.375 18737
364 1 3 . 1 1 44 44 ILE H H 44 9.147 9.147 8.767 0.380 18737
365 1 3 . 1 1 45 45 PHE N N 45 125.527 125.527 127.030 -1.503 18737
366 1 3 . 1 1 45 45 PHE H H 45 8.895 8.895 8.969 -0.074 18737
367 1 3 . 1 1 46 46 ALA N N 46 132.646 132.646 129.567 3.079 18737
368 1 3 . 1 1 46 46 ALA H H 46 9.033 9.033 8.804 0.229 18737
369 1 3 . 1 1 47 47 GLY N N 47 102.802 102.802 102.902 -0.100 18737
370 1 3 . 1 1 47 47 GLY H H 47 8.265 8.265 8.303 -0.038 18737
371 1 3 . 1 1 48 48 LYS N N 48 121.141 121.141 121.743 -0.602 18737
372 1 3 . 1 1 48 48 LYS H H 48 7.956 7.956 7.640 0.316 18737
373 1 3 . 1 1 49 49 GLN N N 49 122.737 122.737 122.720 0.017 18737
374 1 3 . 1 1 49 49 GLN H H 49 8.693 8.693 8.506 0.187 18737
375 1 3 . 1 1 50 50 LEU N N 50 125.580 125.580 124.077 1.503 18737
376 1 3 . 1 1 50 50 LEU H H 50 8.575 8.575 8.311 0.264 18737
377 1 3 . 1 1 51 51 GLU N N 51 122.984 122.984 124.131 -1.147 18737
378 1 3 . 1 1 51 51 GLU H H 51 8.406 8.406 8.050 0.356 18737
379 1 3 . 1 1 52 52 ASP N N 52 120.142 120.142 127.650 -7.508 18737
380 1 3 . 1 1 52 52 ASP H H 52 8.163 8.163 8.946 -0.783 18737
381 1 3 . 1 1 53 53 GLY N N 53 108.221 108.221 105.334 2.887 18737
382 1 3 . 1 1 53 53 GLY H H 53 8.290 8.290 8.181 0.109 18737
383 1 3 . 1 1 54 54 ARG N N 54 119.053 119.053 119.742 -0.689 18737
384 1 3 . 1 1 54 54 ARG H H 54 7.487 7.487 8.289 -0.802 18737
385 1 3 . 1 1 55 55 THR N N 55 108.479 108.479 111.093 -2.614 18737
386 1 3 . 1 1 55 55 THR H H 55 8.833 8.833 8.125 0.708 18737
387 1 3 . 1 1 56 56 LEU N N 56 117.731 117.731 121.672 -3.941 18737
388 1 3 . 1 1 56 56 LEU H H 56 8.141 8.141 8.523 -0.382 18737
389 1 3 . 1 1 57 57 SER N N 57 113.175 113.175 114.083 -0.908 18737
390 1 3 . 1 1 57 57 SER H H 57 8.493 8.493 8.237 0.256 18737
391 1 3 . 1 1 58 58 ASP N N 58 124.176 124.176 122.827 1.349 18737
392 1 3 . 1 1 58 58 ASP H H 58 7.937 7.937 8.159 -0.222 18737
393 1 3 . 1 1 59 59 TYR N N 59 115.426 115.426 115.113 0.313 18737
394 1 3 . 1 1 59 59 TYR H H 59 7.264 7.264 7.545 -0.281 18737
395 1 3 . 1 1 60 60 ASN N N 60 115.641 115.641 115.754 -0.113 18737
396 1 3 . 1 1 60 60 ASN H H 60 8.155 8.155 7.770 0.385 18737
397 1 3 . 1 1 61 61 ILE N N 61 118.537 118.537 120.135 -1.598 18737
398 1 3 . 1 1 61 61 ILE H H 61 7.229 7.229 8.153 -0.924 18737
399 1 3 . 1 1 62 62 GLN N N 62 124.612 124.612 126.348 -1.736 18737
400 1 3 . 1 1 62 62 GLN H H 62 7.632 7.632 8.358 -0.726 18737
401 1 3 . 1 1 63 63 LYS N N 63 120.190 120.190 118.775 1.415 18737
402 1 3 . 1 1 63 63 LYS H H 63 8.495 8.495 8.406 0.089 18737
403 1 3 . 1 1 64 64 GLU N N 64 114.252 114.252 115.855 -1.603 18737
404 1 3 . 1 1 64 64 GLU H H 64 9.302 9.302 8.600 0.702 18737
405 1 3 . 1 1 65 65 SER N N 65 114.586 114.586 113.860 0.726 18737
406 1 3 . 1 1 65 65 SER H H 65 7.654 7.654 7.653 0.001 18737
407 1 3 . 1 1 66 66 THR N N 66 117.176 117.176 119.077 -1.901 18737
408 1 3 . 1 1 66 66 THR H H 66 8.735 8.735 8.572 0.163 18737
409 1 3 . 1 1 67 67 LEU N N 67 127.152 127.152 129.920 -2.768 18737
410 1 3 . 1 1 67 67 LEU H H 67 9.359 9.359 9.084 0.275 18737
411 1 3 . 1 1 68 68 HIS N N 68 118.492 118.492 124.725 -6.233 18737
412 1 3 . 1 1 68 68 HIS H H 68 9.111 9.111 8.788 0.323 18737
413 1 3 . 1 1 69 69 LEU N N 69 125.249 125.249 132.055 -6.806 18737
414 1 3 . 1 1 69 69 LEU H H 69 8.721 8.721 8.271 0.450 18737
415 1 3 . 1 1 70 70 VAL N N 70 126.564 126.564 128.678 -2.114 18737
416 1 3 . 1 1 70 70 VAL H H 70 9.191 9.191 8.911 0.280 18737
417 1 3 . 1 1 71 71 LEU N N 71 123.127 123.127 125.295 -2.168 18737
418 1 3 . 1 1 71 71 LEU H H 71 8.065 8.065 8.272 -0.207 18737
419 1 3 . 1 1 72 72 ARG N N 72 123.576 123.576 121.881 1.695 18737
420 1 3 . 1 1 72 72 ARG H H 72 8.737 8.737 8.584 0.153 18737
421 1 3 . 1 1 73 73 LEU N N 73 123.544 123.544 120.568 2.976 18737
422 1 3 . 1 1 73 73 LEU H H 73 8.288 8.288 8.348 -0.060 18737
423 1 3 . 1 1 74 74 ARG N N 74 121.620 121.620 120.823 0.797 18737
424 1 3 . 1 1 74 74 ARG H H 74 8.486 8.486 8.010 0.476 18737
425 1 3 . 1 1 75 75 GLY N N 75 109.865 109.865 115.045 -5.180 18737
426 1 3 . 1 1 75 75 GLY H H 75 8.479 8.479 8.556 -0.077 18737
427 1 4 . 1 1 2 2 GLN N N 2 122.408 122.408 124.740 -2.332 18737
428 1 4 . 1 1 2 2 GLN H H 2 8.945 8.945 8.290 0.655 18737
429 1 4 . 1 1 3 3 ILE N N 3 114.615 114.615 114.526 0.089 18737
430 1 4 . 1 1 3 3 ILE H H 3 8.299 8.299 8.247 0.052 18737
431 1 4 . 1 1 4 4 PHE N N 4 118.379 118.379 120.535 -2.156 18737
432 1 4 . 1 1 4 4 PHE H H 4 8.579 8.579 8.749 -0.170 18737
433 1 4 . 1 1 5 5 VAL N N 5 120.954 120.954 121.284 -0.330 18737
434 1 4 . 1 1 5 5 VAL H H 5 9.296 9.296 8.842 0.454 18737
435 1 4 . 1 1 6 6 LYS N N 6 127.447 127.447 129.053 -1.606 18737
436 1 4 . 1 1 6 6 LYS H H 6 8.879 8.879 8.341 0.538 18737
437 1 4 . 1 1 7 7 THR N N 7 115.299 115.299 121.045 -5.746 18737
438 1 4 . 1 1 7 7 THR H H 7 8.744 8.744 8.173 0.571 18737
439 1 4 . 1 1 8 8 LEU N N 8 120.685 120.685 125.347 -4.662 18737
440 1 4 . 1 1 8 8 LEU H H 8 9.034 9.034 8.684 0.350 18737
441 1 4 . 1 1 9 9 THR N N 9 105.749 105.749 107.817 -2.068 18737
442 1 4 . 1 1 9 9 THR H H 9 7.669 7.669 7.982 -0.313 18737
443 1 4 . 1 1 10 10 GLY N N 10 108.810 108.810 110.550 -1.740 18737
444 1 4 . 1 1 10 10 GLY H H 10 7.833 7.833 7.732 0.101 18737
445 1 4 . 1 1 11 11 LYS N N 11 121.383 121.383 122.560 -1.177 18737
446 1 4 . 1 1 11 11 LYS H H 11 7.259 7.259 7.592 -0.333 18737
447 1 4 . 1 1 12 12 THR N N 12 120.278 120.278 120.659 -0.381 18737
448 1 4 . 1 1 12 12 THR H H 12 8.651 8.651 8.509 0.142 18737
449 1 4 . 1 1 13 13 ILE N N 13 127.477 127.477 122.662 4.815 18737
450 1 4 . 1 1 13 13 ILE H H 13 9.540 9.540 8.566 0.974 18737
451 1 4 . 1 1 14 14 THR N N 14 121.613 121.613 116.687 4.926 18737
452 1 4 . 1 1 14 14 THR H H 14 8.750 8.750 8.319 0.431 18737
453 1 4 . 1 1 15 15 LEU N N 15 124.946 124.946 124.161 0.785 18737
454 1 4 . 1 1 15 15 LEU H H 15 8.729 8.729 8.569 0.160 18737
455 1 4 . 1 1 16 16 GLU N N 16 122.227 122.227 122.622 -0.395 18737
456 1 4 . 1 1 16 16 GLU H H 16 8.141 8.141 8.427 -0.286 18737
457 1 4 . 1 1 17 17 VAL N N 17 117.285 117.285 120.559 -3.274 18737
458 1 4 . 1 1 17 17 VAL H H 17 8.941 8.941 7.975 0.966 18737
459 1 4 . 1 1 18 18 GLU N N 18 118.997 118.997 125.683 -6.686 18737
460 1 4 . 1 1 18 18 GLU H H 18 8.659 8.659 8.362 0.297 18737
461 1 4 . 1 1 20 20 SER N N 20 103.080 103.080 111.711 -8.631 18737
462 1 4 . 1 1 20 20 SER H H 20 7.035 7.035 8.357 -1.322 18737
463 1 4 . 1 1 21 21 ASP N N 21 123.134 123.134 121.083 2.051 18737
464 1 4 . 1 1 21 21 ASP H H 21 8.003 8.003 7.511 0.492 18737
465 1 4 . 1 1 22 22 THR N N 22 108.684 108.684 112.441 -3.757 18737
466 1 4 . 1 1 22 22 THR H H 22 7.893 7.893 8.133 -0.240 18737
467 1 4 . 1 1 23 23 ILE N N 23 120.936 120.936 123.187 -2.251 18737
468 1 4 . 1 1 23 23 ILE H H 23 8.543 8.543 8.930 -0.387 18737
469 1 4 . 1 1 24 24 GLU N N 24 120.830 120.830 120.809 0.021 18737
470 1 4 . 1 1 24 24 GLU H H 24 9.760 9.760 8.434 1.326 18737
471 1 4 . 1 1 25 25 ASN N N 25 121.026 121.026 118.246 2.780 18737
472 1 4 . 1 1 25 25 ASN H H 25 7.927 7.927 7.725 0.202 18737
473 1 4 . 1 1 26 26 VAL N N 26 121.828 121.828 120.504 1.324 18737
474 1 4 . 1 1 26 26 VAL H H 26 8.103 8.103 8.386 -0.283 18737
475 1 4 . 1 1 27 27 LYS N N 27 118.641 118.641 119.709 -1.068 18737
476 1 4 . 1 1 27 27 LYS H H 27 8.577 8.577 7.982 0.595 18737
477 1 4 . 1 1 28 28 ALA N N 28 123.566 123.566 121.931 1.635 18737
478 1 4 . 1 1 28 28 ALA H H 28 8.055 8.055 7.842 0.213 18737
479 1 4 . 1 1 29 29 LYS N N 29 119.910 119.910 119.737 0.173 18737
480 1 4 . 1 1 29 29 LYS H H 29 7.873 7.873 7.498 0.375 18737
481 1 4 . 1 1 30 30 ILE N N 30 120.937 120.937 119.816 1.121 18737
482 1 4 . 1 1 30 30 ILE H H 30 8.262 8.262 8.341 -0.079 18737
483 1 4 . 1 1 31 31 GLN N N 31 123.250 123.250 120.626 2.624 18737
484 1 4 . 1 1 31 31 GLN H H 31 8.572 8.572 8.027 0.545 18737
485 1 4 . 1 1 32 32 ASP N N 32 119.468 119.468 118.662 0.806 18737
486 1 4 . 1 1 32 32 ASP H H 32 8.052 8.052 7.848 0.204 18737
487 1 4 . 1 1 33 33 LYS N N 33 115.157 115.157 118.696 -3.539 18737
488 1 4 . 1 1 33 33 LYS H H 33 7.447 7.447 7.633 -0.186 18737
489 1 4 . 1 1 34 34 GLU N N 34 113.856 113.856 115.780 -1.924 18737
490 1 4 . 1 1 34 34 GLU H H 34 8.719 8.719 8.404 0.315 18737
491 1 4 . 1 1 35 35 GLY N N 35 108.551 108.551 107.988 0.563 18737
492 1 4 . 1 1 35 35 GLY H H 35 8.507 8.507 8.183 0.324 18737
493 1 4 . 1 1 36 36 ILE N N 36 119.943 119.943 121.023 -1.080 18737
494 1 4 . 1 1 36 36 ILE H H 36 6.147 6.147 7.467 -1.320 18737
495 1 4 . 1 1 39 39 ASP N N 39 113.228 113.228 115.095 -1.867 18737
496 1 4 . 1 1 39 39 ASP H H 39 8.540 8.540 8.293 0.247 18737
497 1 4 . 1 1 40 40 GLN N N 40 116.604 116.604 117.608 -1.004 18737
498 1 4 . 1 1 40 40 GLN H H 40 7.761 7.761 7.449 0.312 18737
499 1 4 . 1 1 41 41 GLN N N 41 117.236 117.236 119.776 -2.540 18737
500 1 4 . 1 1 41 41 GLN H H 41 7.438 7.438 7.155 0.283 18737
501 1 4 . 1 1 42 42 ARG N N 42 122.253 122.253 123.811 -1.558 18737
502 1 4 . 1 1 42 42 ARG H H 42 8.381 8.381 8.225 0.156 18737
503 1 4 . 1 1 43 43 LEU N N 43 123.939 123.939 126.270 -2.331 18737
504 1 4 . 1 1 43 43 LEU H H 43 8.873 8.873 8.939 -0.066 18737
505 1 4 . 1 1 44 44 ILE N N 44 122.126 122.126 118.758 3.368 18737
506 1 4 . 1 1 44 44 ILE H H 44 9.147 9.147 8.686 0.461 18737
507 1 4 . 1 1 45 45 PHE N N 45 125.527 125.527 127.836 -2.309 18737
508 1 4 . 1 1 45 45 PHE H H 45 8.895 8.895 9.053 -0.158 18737
509 1 4 . 1 1 46 46 ALA N N 46 132.646 132.646 130.104 2.542 18737
510 1 4 . 1 1 46 46 ALA H H 46 9.033 9.033 8.713 0.320 18737
511 1 4 . 1 1 47 47 GLY N N 47 102.802 102.802 102.628 0.174 18737
512 1 4 . 1 1 47 47 GLY H H 47 8.265 8.265 8.281 -0.016 18737
513 1 4 . 1 1 48 48 LYS N N 48 121.141 121.141 121.307 -0.166 18737
514 1 4 . 1 1 48 48 LYS H H 48 7.956 7.956 7.881 0.075 18737
515 1 4 . 1 1 49 49 GLN N N 49 122.737 122.737 121.796 0.941 18737
516 1 4 . 1 1 49 49 GLN H H 49 8.693 8.693 8.550 0.143 18737
517 1 4 . 1 1 50 50 LEU N N 50 125.580 125.580 124.492 1.088 18737
518 1 4 . 1 1 50 50 LEU H H 50 8.575 8.575 8.243 0.332 18737
519 1 4 . 1 1 51 51 GLU N N 51 122.984 122.984 123.906 -0.922 18737
520 1 4 . 1 1 51 51 GLU H H 51 8.406 8.406 8.109 0.297 18737
521 1 4 . 1 1 52 52 ASP N N 52 120.142 120.142 125.235 -5.093 18737
522 1 4 . 1 1 52 52 ASP H H 52 8.163 8.163 8.721 -0.558 18737
523 1 4 . 1 1 53 53 GLY N N 53 108.221 108.221 108.352 -0.131 18737
524 1 4 . 1 1 53 53 GLY H H 53 8.290 8.290 8.435 -0.145 18737
525 1 4 . 1 1 54 54 ARG N N 54 119.053 119.053 119.925 -0.872 18737
526 1 4 . 1 1 54 54 ARG H H 54 7.487 7.487 8.232 -0.745 18737
527 1 4 . 1 1 55 55 THR N N 55 108.479 108.479 110.812 -2.333 18737
528 1 4 . 1 1 55 55 THR H H 55 8.833 8.833 8.025 0.808 18737
529 1 4 . 1 1 56 56 LEU N N 56 117.731 117.731 122.223 -4.492 18737
530 1 4 . 1 1 56 56 LEU H H 56 8.141 8.141 8.668 -0.527 18737
531 1 4 . 1 1 57 57 SER N N 57 113.175 113.175 114.032 -0.857 18737
532 1 4 . 1 1 57 57 SER H H 57 8.493 8.493 8.101 0.392 18737
533 1 4 . 1 1 58 58 ASP N N 58 124.176 124.176 122.226 1.950 18737
534 1 4 . 1 1 58 58 ASP H H 58 7.937 7.937 8.002 -0.065 18737
535 1 4 . 1 1 59 59 TYR N N 59 115.426 115.426 116.087 -0.661 18737
536 1 4 . 1 1 59 59 TYR H H 59 7.264 7.264 7.538 -0.274 18737
537 1 4 . 1 1 60 60 ASN N N 60 115.641 115.641 117.476 -1.835 18737
538 1 4 . 1 1 60 60 ASN H H 60 8.155 8.155 7.701 0.454 18737
539 1 4 . 1 1 61 61 ILE N N 61 118.537 118.537 120.098 -1.561 18737
540 1 4 . 1 1 61 61 ILE H H 61 7.229 7.229 8.226 -0.997 18737
541 1 4 . 1 1 62 62 GLN N N 62 124.612 124.612 126.067 -1.455 18737
542 1 4 . 1 1 62 62 GLN H H 62 7.632 7.632 8.135 -0.503 18737
543 1 4 . 1 1 63 63 LYS N N 63 120.190 120.190 119.880 0.310 18737
544 1 4 . 1 1 63 63 LYS H H 63 8.495 8.495 8.300 0.195 18737
545 1 4 . 1 1 64 64 GLU N N 64 114.252 114.252 118.343 -4.091 18737
546 1 4 . 1 1 64 64 GLU H H 64 9.302 9.302 8.444 0.858 18737
547 1 4 . 1 1 65 65 SER N N 65 114.586 114.586 114.406 0.180 18737
548 1 4 . 1 1 65 65 SER H H 65 7.654 7.654 7.708 -0.054 18737
549 1 4 . 1 1 66 66 THR N N 66 117.176 117.176 120.061 -2.885 18737
550 1 4 . 1 1 66 66 THR H H 66 8.735 8.735 8.773 -0.038 18737
551 1 4 . 1 1 67 67 LEU N N 67 127.152 127.152 125.789 1.363 18737
552 1 4 . 1 1 67 67 LEU H H 67 9.359 9.359 8.504 0.855 18737
553 1 4 . 1 1 68 68 HIS N N 68 118.492 118.492 125.210 -6.718 18737
554 1 4 . 1 1 68 68 HIS H H 68 9.111 9.111 8.327 0.784 18737
555 1 4 . 1 1 69 69 LEU N N 69 125.249 125.249 130.974 -5.725 18737
556 1 4 . 1 1 69 69 LEU H H 69 8.721 8.721 8.624 0.097 18737
557 1 4 . 1 1 70 70 VAL N N 70 126.564 126.564 126.769 -0.205 18737
558 1 4 . 1 1 70 70 VAL H H 70 9.191 9.191 9.071 0.120 18737
559 1 4 . 1 1 71 71 LEU N N 71 123.127 123.127 125.267 -2.140 18737
560 1 4 . 1 1 71 71 LEU H H 71 8.065 8.065 8.476 -0.411 18737
561 1 4 . 1 1 72 72 ARG N N 72 123.576 123.576 122.075 1.501 18737
562 1 4 . 1 1 72 72 ARG H H 72 8.737 8.737 8.505 0.232 18737
563 1 4 . 1 1 73 73 LEU N N 73 123.544 123.544 119.142 4.402 18737
564 1 4 . 1 1 73 73 LEU H H 73 8.288 8.288 8.629 -0.341 18737
565 1 4 . 1 1 74 74 ARG N N 74 121.620 121.620 118.654 2.966 18737
566 1 4 . 1 1 74 74 ARG H H 74 8.486 8.486 8.677 -0.191 18737
567 1 4 . 1 1 75 75 GLY N N 75 109.865 109.865 102.478 7.387 18737
568 1 4 . 1 1 75 75 GLY H H 75 8.479 8.479 8.254 0.225 18737
569 1 5 . 1 1 2 2 GLN N N 2 122.408 122.408 120.211 2.197 18737
570 1 5 . 1 1 2 2 GLN H H 2 8.945 8.945 7.904 1.041 18737
571 1 5 . 1 1 3 3 ILE N N 3 114.615 114.615 117.144 -2.529 18737
572 1 5 . 1 1 3 3 ILE H H 3 8.299 8.299 8.309 -0.010 18737
573 1 5 . 1 1 4 4 PHE N N 4 118.379 118.379 120.738 -2.359 18737
574 1 5 . 1 1 4 4 PHE H H 4 8.579 8.579 8.531 0.048 18737
575 1 5 . 1 1 5 5 VAL N N 5 120.954 120.954 116.274 4.680 18737
576 1 5 . 1 1 5 5 VAL H H 5 9.296 9.296 9.030 0.266 18737
577 1 5 . 1 1 6 6 LYS N N 6 127.447 127.447 127.571 -0.124 18737
578 1 5 . 1 1 6 6 LYS H H 6 8.879 8.879 8.283 0.596 18737
579 1 5 . 1 1 7 7 THR N N 7 115.299 115.299 116.749 -1.450 18737
580 1 5 . 1 1 7 7 THR H H 7 8.744 8.744 8.519 0.225 18737
581 1 5 . 1 1 8 8 LEU N N 8 120.685 120.685 123.049 -2.364 18737
582 1 5 . 1 1 8 8 LEU H H 8 9.034 9.034 8.649 0.385 18737
583 1 5 . 1 1 9 9 THR N N 9 105.749 105.749 111.284 -5.535 18737
584 1 5 . 1 1 9 9 THR H H 9 7.669 7.669 7.758 -0.089 18737
585 1 5 . 1 1 10 10 GLY N N 10 108.810 108.810 107.900 0.910 18737
586 1 5 . 1 1 10 10 GLY H H 10 7.833 7.833 7.746 0.087 18737
587 1 5 . 1 1 11 11 LYS N N 11 121.383 121.383 121.880 -0.497 18737
588 1 5 . 1 1 11 11 LYS H H 11 7.259 7.259 7.879 -0.620 18737
589 1 5 . 1 1 12 12 THR N N 12 120.278 120.278 121.144 -0.866 18737
590 1 5 . 1 1 12 12 THR H H 12 8.651 8.651 8.411 0.240 18737
591 1 5 . 1 1 13 13 ILE N N 13 127.477 127.477 126.814 0.663 18737
592 1 5 . 1 1 13 13 ILE H H 13 9.540 9.540 8.909 0.631 18737
593 1 5 . 1 1 14 14 THR N N 14 121.613 121.613 120.402 1.211 18737
594 1 5 . 1 1 14 14 THR H H 14 8.750 8.750 8.327 0.423 18737
595 1 5 . 1 1 15 15 LEU N N 15 124.946 124.946 127.685 -2.739 18737
596 1 5 . 1 1 15 15 LEU H H 15 8.729 8.729 8.788 -0.059 18737
597 1 5 . 1 1 16 16 GLU N N 16 122.227 122.227 123.396 -1.169 18737
598 1 5 . 1 1 16 16 GLU H H 16 8.141 8.141 8.380 -0.239 18737
599 1 5 . 1 1 17 17 VAL N N 17 117.285 117.285 118.450 -1.165 18737
600 1 5 . 1 1 17 17 VAL H H 17 8.941 8.941 7.912 1.029 18737
601 1 5 . 1 1 18 18 GLU N N 18 118.997 118.997 126.222 -7.225 18737
602 1 5 . 1 1 18 18 GLU H H 18 8.659 8.659 8.691 -0.032 18737
603 1 5 . 1 1 20 20 SER N N 20 103.080 103.080 111.867 -8.787 18737
604 1 5 . 1 1 20 20 SER H H 20 7.035 7.035 8.114 -1.079 18737
605 1 5 . 1 1 21 21 ASP N N 21 123.134 123.134 120.986 2.148 18737
606 1 5 . 1 1 21 21 ASP H H 21 8.003 8.003 7.369 0.634 18737
607 1 5 . 1 1 22 22 THR N N 22 108.684 108.684 114.829 -6.145 18737
608 1 5 . 1 1 22 22 THR H H 22 7.893 7.893 8.715 -0.822 18737
609 1 5 . 1 1 23 23 ILE N N 23 120.936 120.936 123.676 -2.740 18737
610 1 5 . 1 1 23 23 ILE H H 23 8.543 8.543 8.717 -0.174 18737
611 1 5 . 1 1 24 24 GLU N N 24 120.830 120.830 119.405 1.425 18737
612 1 5 . 1 1 24 24 GLU H H 24 9.760 9.760 8.561 1.199 18737
613 1 5 . 1 1 25 25 ASN N N 25 121.026 121.026 119.078 1.948 18737
614 1 5 . 1 1 25 25 ASN H H 25 7.927 7.927 7.526 0.401 18737
615 1 5 . 1 1 26 26 VAL N N 26 121.828 121.828 120.759 1.069 18737
616 1 5 . 1 1 26 26 VAL H H 26 8.103 8.103 8.153 -0.050 18737
617 1 5 . 1 1 27 27 LYS N N 27 118.641 118.641 119.581 -0.940 18737
618 1 5 . 1 1 27 27 LYS H H 27 8.577 8.577 8.363 0.214 18737
619 1 5 . 1 1 28 28 ALA N N 28 123.566 123.566 122.542 1.024 18737
620 1 5 . 1 1 28 28 ALA H H 28 8.055 8.055 7.638 0.417 18737
621 1 5 . 1 1 29 29 LYS N N 29 119.910 119.910 119.282 0.628 18737
622 1 5 . 1 1 29 29 LYS H H 29 7.873 7.873 7.536 0.337 18737
623 1 5 . 1 1 30 30 ILE N N 30 120.937 120.937 120.080 0.857 18737
624 1 5 . 1 1 30 30 ILE H H 30 8.262 8.262 8.264 -0.002 18737
625 1 5 . 1 1 31 31 GLN N N 31 123.250 123.250 120.173 3.077 18737
626 1 5 . 1 1 31 31 GLN H H 31 8.572 8.572 8.107 0.465 18737
627 1 5 . 1 1 32 32 ASP N N 32 119.468 119.468 118.758 0.710 18737
628 1 5 . 1 1 32 32 ASP H H 32 8.052 8.052 7.760 0.292 18737
629 1 5 . 1 1 33 33 LYS N N 33 115.157 115.157 119.613 -4.456 18737
630 1 5 . 1 1 33 33 LYS H H 33 7.447 7.447 7.519 -0.072 18737
631 1 5 . 1 1 34 34 GLU N N 34 113.856 113.856 116.183 -2.327 18737
632 1 5 . 1 1 34 34 GLU H H 34 8.719 8.719 8.371 0.348 18737
633 1 5 . 1 1 35 35 GLY N N 35 108.551 108.551 107.794 0.757 18737
634 1 5 . 1 1 35 35 GLY H H 35 8.507 8.507 7.809 0.698 18737
635 1 5 . 1 1 36 36 ILE N N 36 119.943 119.943 123.782 -3.839 18737
636 1 5 . 1 1 36 36 ILE H H 36 6.147 6.147 7.176 -1.029 18737
637 1 5 . 1 1 39 39 ASP N N 39 113.228 113.228 115.142 -1.914 18737
638 1 5 . 1 1 39 39 ASP H H 39 8.540 8.540 8.825 -0.285 18737
639 1 5 . 1 1 40 40 GLN N N 40 116.604 116.604 117.404 -0.800 18737
640 1 5 . 1 1 40 40 GLN H H 40 7.761 7.761 7.366 0.395 18737
641 1 5 . 1 1 41 41 GLN N N 41 117.236 117.236 118.875 -1.639 18737
642 1 5 . 1 1 41 41 GLN H H 41 7.438 7.438 7.311 0.127 18737
643 1 5 . 1 1 42 42 ARG N N 42 122.253 122.253 126.447 -4.194 18737
644 1 5 . 1 1 42 42 ARG H H 42 8.381 8.381 8.315 0.066 18737
645 1 5 . 1 1 43 43 LEU N N 43 123.939 123.939 128.050 -4.111 18737
646 1 5 . 1 1 43 43 LEU H H 43 8.873 8.873 8.796 0.077 18737
647 1 5 . 1 1 44 44 ILE N N 44 122.126 122.126 123.636 -1.510 18737
648 1 5 . 1 1 44 44 ILE H H 44 9.147 9.147 8.783 0.364 18737
649 1 5 . 1 1 45 45 PHE N N 45 125.527 125.527 127.836 -2.309 18737
650 1 5 . 1 1 45 45 PHE H H 45 8.895 8.895 9.077 -0.182 18737
651 1 5 . 1 1 46 46 ALA N N 46 132.646 132.646 129.720 2.926 18737
652 1 5 . 1 1 46 46 ALA H H 46 9.033 9.033 8.749 0.284 18737
653 1 5 . 1 1 47 47 GLY N N 47 102.802 102.802 102.418 0.384 18737
654 1 5 . 1 1 47 47 GLY H H 47 8.265 8.265 8.437 -0.172 18737
655 1 5 . 1 1 48 48 LYS N N 48 121.141 121.141 121.683 -0.542 18737
656 1 5 . 1 1 48 48 LYS H H 48 7.956 7.956 7.863 0.093 18737
657 1 5 . 1 1 49 49 GLN N N 49 122.737 122.737 120.915 1.822 18737
658 1 5 . 1 1 49 49 GLN H H 49 8.693 8.693 8.551 0.142 18737
659 1 5 . 1 1 50 50 LEU N N 50 125.580 125.580 124.881 0.699 18737
660 1 5 . 1 1 50 50 LEU H H 50 8.575 8.575 8.159 0.416 18737
661 1 5 . 1 1 51 51 GLU N N 51 122.984 122.984 123.452 -0.468 18737
662 1 5 . 1 1 51 51 GLU H H 51 8.406 8.406 8.263 0.143 18737
663 1 5 . 1 1 52 52 ASP N N 52 120.142 120.142 126.477 -6.335 18737
664 1 5 . 1 1 52 52 ASP H H 52 8.163 8.163 8.835 -0.672 18737
665 1 5 . 1 1 53 53 GLY N N 53 108.221 108.221 108.339 -0.118 18737
666 1 5 . 1 1 53 53 GLY H H 53 8.290 8.290 8.258 0.032 18737
667 1 5 . 1 1 54 54 ARG N N 54 119.053 119.053 120.729 -1.676 18737
668 1 5 . 1 1 54 54 ARG H H 54 7.487 7.487 8.258 -0.771 18737
669 1 5 . 1 1 55 55 THR N N 55 108.479 108.479 113.348 -4.869 18737
670 1 5 . 1 1 55 55 THR H H 55 8.833 8.833 8.402 0.431 18737
671 1 5 . 1 1 56 56 LEU N N 56 117.731 117.731 124.457 -6.726 18737
672 1 5 . 1 1 56 56 LEU H H 56 8.141 8.141 8.716 -0.575 18737
673 1 5 . 1 1 57 57 SER N N 57 113.175 113.175 114.123 -0.948 18737
674 1 5 . 1 1 57 57 SER H H 57 8.493 8.493 8.156 0.337 18737
675 1 5 . 1 1 58 58 ASP N N 58 124.176 124.176 122.114 2.062 18737
676 1 5 . 1 1 58 58 ASP H H 58 7.937 7.937 8.195 -0.258 18737
677 1 5 . 1 1 59 59 TYR N N 59 115.426 115.426 116.138 -0.712 18737
678 1 5 . 1 1 59 59 TYR H H 59 7.264 7.264 7.449 -0.185 18737
679 1 5 . 1 1 60 60 ASN N N 60 115.641 115.641 116.758 -1.117 18737
680 1 5 . 1 1 60 60 ASN H H 60 8.155 8.155 7.721 0.434 18737
681 1 5 . 1 1 61 61 ILE N N 61 118.537 118.537 120.666 -2.129 18737
682 1 5 . 1 1 61 61 ILE H H 61 7.229 7.229 8.108 -0.879 18737
683 1 5 . 1 1 62 62 GLN N N 62 124.612 124.612 126.289 -1.677 18737
684 1 5 . 1 1 62 62 GLN H H 62 7.632 7.632 8.186 -0.554 18737
685 1 5 . 1 1 63 63 LYS N N 63 120.190 120.190 119.334 0.856 18737
686 1 5 . 1 1 63 63 LYS H H 63 8.495 8.495 8.205 0.290 18737
687 1 5 . 1 1 64 64 GLU N N 64 114.252 114.252 117.824 -3.572 18737
688 1 5 . 1 1 64 64 GLU H H 64 9.302 9.302 8.332 0.970 18737
689 1 5 . 1 1 65 65 SER N N 65 114.586 114.586 114.008 0.578 18737
690 1 5 . 1 1 65 65 SER H H 65 7.654 7.654 7.516 0.138 18737
691 1 5 . 1 1 66 66 THR N N 66 117.176 117.176 118.341 -1.165 18737
692 1 5 . 1 1 66 66 THR H H 66 8.735 8.735 8.622 0.113 18737
693 1 5 . 1 1 67 67 LEU N N 67 127.152 127.152 125.629 1.523 18737
694 1 5 . 1 1 67 67 LEU H H 67 9.359 9.359 8.633 0.726 18737
695 1 5 . 1 1 68 68 HIS N N 68 118.492 118.492 124.507 -6.015 18737
696 1 5 . 1 1 68 68 HIS H H 68 9.111 9.111 8.496 0.615 18737
697 1 5 . 1 1 69 69 LEU N N 69 125.249 125.249 130.488 -5.239 18737
698 1 5 . 1 1 69 69 LEU H H 69 8.721 8.721 8.443 0.278 18737
699 1 5 . 1 1 70 70 VAL N N 70 126.564 126.564 126.266 0.298 18737
700 1 5 . 1 1 70 70 VAL H H 70 9.191 9.191 8.856 0.335 18737
701 1 5 . 1 1 71 71 LEU N N 71 123.127 123.127 125.736 -2.609 18737
702 1 5 . 1 1 71 71 LEU H H 71 8.065 8.065 8.431 -0.366 18737
703 1 5 . 1 1 72 72 ARG N N 72 123.576 123.576 125.011 -1.435 18737
704 1 5 . 1 1 72 72 ARG H H 72 8.737 8.737 8.843 -0.106 18737
705 1 5 . 1 1 73 73 LEU N N 73 123.544 123.544 123.595 -0.051 18737
706 1 5 . 1 1 73 73 LEU H H 73 8.288 8.288 8.681 -0.393 18737
707 1 5 . 1 1 74 74 ARG N N 74 121.620 121.620 118.121 3.499 18737
708 1 5 . 1 1 74 74 ARG H H 74 8.486 8.486 7.820 0.666 18737
709 1 5 . 1 1 75 75 GLY N N 75 109.865 109.865 109.637 0.228 18737
710 1 5 . 1 1 75 75 GLY H H 75 8.479 8.479 8.785 -0.306 18737
711 1 6 . 1 1 2 2 GLN N N 2 122.408 122.408 125.419 -3.011 18737
712 1 6 . 1 1 2 2 GLN H H 2 8.945 8.945 8.512 0.433 18737
713 1 6 . 1 1 3 3 ILE N N 3 114.615 114.615 114.872 -0.257 18737
714 1 6 . 1 1 3 3 ILE H H 3 8.299 8.299 8.268 0.031 18737
715 1 6 . 1 1 4 4 PHE N N 4 118.379 118.379 121.210 -2.831 18737
716 1 6 . 1 1 4 4 PHE H H 4 8.579 8.579 8.854 -0.275 18737
717 1 6 . 1 1 5 5 VAL N N 5 120.954 120.954 120.899 0.055 18737
718 1 6 . 1 1 5 5 VAL H H 5 9.296 9.296 8.790 0.506 18737
719 1 6 . 1 1 6 6 LYS N N 6 127.447 127.447 129.196 -1.749 18737
720 1 6 . 1 1 6 6 LYS H H 6 8.879 8.879 8.527 0.352 18737
721 1 6 . 1 1 7 7 THR N N 7 115.299 115.299 116.461 -1.162 18737
722 1 6 . 1 1 7 7 THR H H 7 8.744 8.744 8.262 0.482 18737
723 1 6 . 1 1 8 8 LEU N N 8 120.685 120.685 119.615 1.070 18737
724 1 6 . 1 1 8 8 LEU H H 8 9.034 9.034 8.578 0.456 18737
725 1 6 . 1 1 9 9 THR N N 9 105.749 105.749 107.407 -1.658 18737
726 1 6 . 1 1 9 9 THR H H 9 7.669 7.669 7.662 0.007 18737
727 1 6 . 1 1 10 10 GLY N N 10 108.810 108.810 109.471 -0.661 18737
728 1 6 . 1 1 10 10 GLY H H 10 7.833 7.833 7.572 0.261 18737
729 1 6 . 1 1 11 11 LYS N N 11 121.383 121.383 122.384 -1.001 18737
730 1 6 . 1 1 11 11 LYS H H 11 7.259 7.259 7.739 -0.480 18737
731 1 6 . 1 1 12 12 THR N N 12 120.278 120.278 122.675 -2.397 18737
732 1 6 . 1 1 12 12 THR H H 12 8.651 8.651 8.564 0.087 18737
733 1 6 . 1 1 13 13 ILE N N 13 127.477 127.477 127.261 0.216 18737
734 1 6 . 1 1 13 13 ILE H H 13 9.540 9.540 8.859 0.681 18737
735 1 6 . 1 1 14 14 THR N N 14 121.613 121.613 120.612 1.001 18737
736 1 6 . 1 1 14 14 THR H H 14 8.750 8.750 8.420 0.330 18737
737 1 6 . 1 1 15 15 LEU N N 15 124.946 124.946 126.256 -1.310 18737
738 1 6 . 1 1 15 15 LEU H H 15 8.729 8.729 8.665 0.064 18737
739 1 6 . 1 1 16 16 GLU N N 16 122.227 122.227 121.951 0.276 18737
740 1 6 . 1 1 16 16 GLU H H 16 8.141 8.141 8.474 -0.333 18737
741 1 6 . 1 1 17 17 VAL N N 17 117.285 117.285 123.678 -6.393 18737
742 1 6 . 1 1 17 17 VAL H H 17 8.941 8.941 8.019 0.922 18737
743 1 6 . 1 1 18 18 GLU N N 18 118.997 118.997 127.781 -8.784 18737
744 1 6 . 1 1 18 18 GLU H H 18 8.659 8.659 8.526 0.133 18737
745 1 6 . 1 1 20 20 SER N N 20 103.080 103.080 112.025 -8.945 18737
746 1 6 . 1 1 20 20 SER H H 20 7.035 7.035 8.135 -1.100 18737
747 1 6 . 1 1 21 21 ASP N N 21 123.134 123.134 121.072 2.062 18737
748 1 6 . 1 1 21 21 ASP H H 21 8.003 8.003 7.348 0.655 18737
749 1 6 . 1 1 22 22 THR N N 22 108.684 108.684 112.798 -4.114 18737
750 1 6 . 1 1 22 22 THR H H 22 7.893 7.893 8.452 -0.559 18737
751 1 6 . 1 1 23 23 ILE N N 23 120.936 120.936 122.872 -1.936 18737
752 1 6 . 1 1 23 23 ILE H H 23 8.543 8.543 9.073 -0.530 18737
753 1 6 . 1 1 24 24 GLU N N 24 120.830 120.830 120.139 0.691 18737
754 1 6 . 1 1 24 24 GLU H H 24 9.760 9.760 8.159 1.601 18737
755 1 6 . 1 1 25 25 ASN N N 25 121.026 121.026 118.268 2.758 18737
756 1 6 . 1 1 25 25 ASN H H 25 7.927 7.927 7.661 0.266 18737
757 1 6 . 1 1 26 26 VAL N N 26 121.828 121.828 120.852 0.976 18737
758 1 6 . 1 1 26 26 VAL H H 26 8.103 8.103 8.117 -0.014 18737
759 1 6 . 1 1 27 27 LYS N N 27 118.641 118.641 119.371 -0.730 18737
760 1 6 . 1 1 27 27 LYS H H 27 8.577 8.577 8.293 0.284 18737
761 1 6 . 1 1 28 28 ALA N N 28 123.566 123.566 122.013 1.553 18737
762 1 6 . 1 1 28 28 ALA H H 28 8.055 8.055 7.793 0.262 18737
763 1 6 . 1 1 29 29 LYS N N 29 119.910 119.910 120.175 -0.265 18737
764 1 6 . 1 1 29 29 LYS H H 29 7.873 7.873 7.495 0.378 18737
765 1 6 . 1 1 30 30 ILE N N 30 120.937 120.937 119.245 1.692 18737
766 1 6 . 1 1 30 30 ILE H H 30 8.262 8.262 8.263 -0.001 18737
767 1 6 . 1 1 31 31 GLN N N 31 123.250 123.250 119.783 3.467 18737
768 1 6 . 1 1 31 31 GLN H H 31 8.572 8.572 8.152 0.420 18737
769 1 6 . 1 1 32 32 ASP N N 32 119.468 119.468 119.229 0.239 18737
770 1 6 . 1 1 32 32 ASP H H 32 8.052 8.052 7.839 0.213 18737
771 1 6 . 1 1 33 33 LYS N N 33 115.157 115.157 119.544 -4.387 18737
772 1 6 . 1 1 33 33 LYS H H 33 7.447 7.447 7.598 -0.151 18737
773 1 6 . 1 1 34 34 GLU N N 34 113.856 113.856 116.746 -2.890 18737
774 1 6 . 1 1 34 34 GLU H H 34 8.719 8.719 8.329 0.390 18737
775 1 6 . 1 1 35 35 GLY N N 35 108.551 108.551 107.813 0.738 18737
776 1 6 . 1 1 35 35 GLY H H 35 8.507 8.507 7.672 0.835 18737
777 1 6 . 1 1 36 36 ILE N N 36 119.943 119.943 121.174 -1.231 18737
778 1 6 . 1 1 36 36 ILE H H 36 6.147 6.147 7.389 -1.242 18737
779 1 6 . 1 1 39 39 ASP N N 39 113.228 113.228 116.648 -3.420 18737
780 1 6 . 1 1 39 39 ASP H H 39 8.540 8.540 8.675 -0.135 18737
781 1 6 . 1 1 40 40 GLN N N 40 116.604 116.604 116.180 0.424 18737
782 1 6 . 1 1 40 40 GLN H H 40 7.761 7.761 7.643 0.118 18737
783 1 6 . 1 1 41 41 GLN N N 41 117.236 117.236 119.899 -2.663 18737
784 1 6 . 1 1 41 41 GLN H H 41 7.438 7.438 7.443 -0.005 18737
785 1 6 . 1 1 42 42 ARG N N 42 122.253 122.253 124.710 -2.457 18737
786 1 6 . 1 1 42 42 ARG H H 42 8.381 8.381 8.463 -0.082 18737
787 1 6 . 1 1 43 43 LEU N N 43 123.939 123.939 127.782 -3.843 18737
788 1 6 . 1 1 43 43 LEU H H 43 8.873 8.873 8.718 0.155 18737
789 1 6 . 1 1 44 44 ILE N N 44 122.126 122.126 121.886 0.240 18737
790 1 6 . 1 1 44 44 ILE H H 44 9.147 9.147 8.487 0.660 18737
791 1 6 . 1 1 45 45 PHE N N 45 125.527 125.527 129.077 -3.550 18737
792 1 6 . 1 1 45 45 PHE H H 45 8.895 8.895 8.824 0.071 18737
793 1 6 . 1 1 46 46 ALA N N 46 132.646 132.646 129.357 3.289 18737
794 1 6 . 1 1 46 46 ALA H H 46 9.033 9.033 8.679 0.354 18737
795 1 6 . 1 1 47 47 GLY N N 47 102.802 102.802 102.085 0.717 18737
796 1 6 . 1 1 47 47 GLY H H 47 8.265 8.265 8.135 0.130 18737
797 1 6 . 1 1 48 48 LYS N N 48 121.141 121.141 121.443 -0.302 18737
798 1 6 . 1 1 48 48 LYS H H 48 7.956 7.956 7.971 -0.015 18737
799 1 6 . 1 1 49 49 GLN N N 49 122.737 122.737 115.862 6.875 18737
800 1 6 . 1 1 49 49 GLN H H 49 8.693 8.693 8.611 0.082 18737
801 1 6 . 1 1 50 50 LEU N N 50 125.580 125.580 116.714 8.866 18737
802 1 6 . 1 1 50 50 LEU H H 50 8.575 8.575 7.802 0.773 18737
803 1 6 . 1 1 51 51 GLU N N 51 122.984 122.984 123.172 -0.188 18737
804 1 6 . 1 1 51 51 GLU H H 51 8.406 8.406 8.149 0.257 18737
805 1 6 . 1 1 52 52 ASP N N 52 120.142 120.142 127.859 -7.717 18737
806 1 6 . 1 1 52 52 ASP H H 52 8.163 8.163 8.833 -0.670 18737
807 1 6 . 1 1 53 53 GLY N N 53 108.221 108.221 108.007 0.214 18737
808 1 6 . 1 1 53 53 GLY H H 53 8.290 8.290 7.775 0.515 18737
809 1 6 . 1 1 54 54 ARG N N 54 119.053 119.053 119.100 -0.047 18737
810 1 6 . 1 1 54 54 ARG H H 54 7.487 7.487 8.290 -0.803 18737
811 1 6 . 1 1 55 55 THR N N 55 108.479 108.479 114.410 -5.931 18737
812 1 6 . 1 1 55 55 THR H H 55 8.833 8.833 8.018 0.815 18737
813 1 6 . 1 1 56 56 LEU N N 56 117.731 117.731 124.929 -7.198 18737
814 1 6 . 1 1 56 56 LEU H H 56 8.141 8.141 8.730 -0.589 18737
815 1 6 . 1 1 57 57 SER N N 57 113.175 113.175 113.917 -0.742 18737
816 1 6 . 1 1 57 57 SER H H 57 8.493 8.493 8.368 0.125 18737
817 1 6 . 1 1 58 58 ASP N N 58 124.176 124.176 122.741 1.435 18737
818 1 6 . 1 1 58 58 ASP H H 58 7.937 7.937 7.960 -0.023 18737
819 1 6 . 1 1 59 59 TYR N N 59 115.426 115.426 116.364 -0.938 18737
820 1 6 . 1 1 59 59 TYR H H 59 7.264 7.264 7.450 -0.186 18737
821 1 6 . 1 1 60 60 ASN N N 60 115.641 115.641 115.287 0.354 18737
822 1 6 . 1 1 60 60 ASN H H 60 8.155 8.155 7.761 0.394 18737
823 1 6 . 1 1 61 61 ILE N N 61 118.537 118.537 120.672 -2.135 18737
824 1 6 . 1 1 61 61 ILE H H 61 7.229 7.229 7.943 -0.714 18737
825 1 6 . 1 1 62 62 GLN N N 62 124.612 124.612 125.600 -0.988 18737
826 1 6 . 1 1 62 62 GLN H H 62 7.632 7.632 8.432 -0.800 18737
827 1 6 . 1 1 63 63 LYS N N 63 120.190 120.190 119.059 1.131 18737
828 1 6 . 1 1 63 63 LYS H H 63 8.495 8.495 8.377 0.118 18737
829 1 6 . 1 1 64 64 GLU N N 64 114.252 114.252 115.933 -1.681 18737
830 1 6 . 1 1 64 64 GLU H H 64 9.302 9.302 8.490 0.812 18737
831 1 6 . 1 1 65 65 SER N N 65 114.586 114.586 114.020 0.566 18737
832 1 6 . 1 1 65 65 SER H H 65 7.654 7.654 7.619 0.035 18737
833 1 6 . 1 1 66 66 THR N N 66 117.176 117.176 115.995 1.181 18737
834 1 6 . 1 1 66 66 THR H H 66 8.735 8.735 8.708 0.027 18737
835 1 6 . 1 1 67 67 LEU N N 67 127.152 127.152 126.094 1.058 18737
836 1 6 . 1 1 67 67 LEU H H 67 9.359 9.359 8.478 0.881 18737
837 1 6 . 1 1 68 68 HIS N N 68 118.492 118.492 124.682 -6.190 18737
838 1 6 . 1 1 68 68 HIS H H 68 9.111 9.111 8.798 0.313 18737
839 1 6 . 1 1 69 69 LEU N N 69 125.249 125.249 131.097 -5.848 18737
840 1 6 . 1 1 69 69 LEU H H 69 8.721 8.721 8.734 -0.013 18737
841 1 6 . 1 1 70 70 VAL N N 70 126.564 126.564 126.338 0.226 18737
842 1 6 . 1 1 70 70 VAL H H 70 9.191 9.191 8.919 0.272 18737
843 1 6 . 1 1 71 71 LEU N N 71 123.127 123.127 125.841 -2.714 18737
844 1 6 . 1 1 71 71 LEU H H 71 8.065 8.065 8.361 -0.296 18737
845 1 6 . 1 1 72 72 ARG N N 72 123.576 123.576 122.958 0.618 18737
846 1 6 . 1 1 72 72 ARG H H 72 8.737 8.737 8.362 0.375 18737
847 1 6 . 1 1 73 73 LEU N N 73 123.544 123.544 119.200 4.344 18737
848 1 6 . 1 1 73 73 LEU H H 73 8.288 8.288 8.064 0.224 18737
849 1 6 . 1 1 74 74 ARG N N 74 121.620 121.620 122.348 -0.728 18737
850 1 6 . 1 1 74 74 ARG H H 74 8.486 8.486 8.453 0.033 18737
851 1 6 . 1 1 75 75 GLY N N 75 109.865 109.865 110.579 -0.714 18737
852 1 6 . 1 1 75 75 GLY H H 75 8.479 8.479 8.115 0.364 18737
853 1 7 . 1 1 2 2 GLN N N 2 122.408 122.408 123.790 -1.382 18737
854 1 7 . 1 1 2 2 GLN H H 2 8.945 8.945 8.409 0.536 18737
855 1 7 . 1 1 3 3 ILE N N 3 114.615 114.615 115.885 -1.270 18737
856 1 7 . 1 1 3 3 ILE H H 3 8.299 8.299 8.210 0.089 18737
857 1 7 . 1 1 4 4 PHE N N 4 118.379 118.379 122.064 -3.685 18737
858 1 7 . 1 1 4 4 PHE H H 4 8.579 8.579 8.917 -0.338 18737
859 1 7 . 1 1 5 5 VAL N N 5 120.954 120.954 122.740 -1.786 18737
860 1 7 . 1 1 5 5 VAL H H 5 9.296 9.296 8.909 0.387 18737
861 1 7 . 1 1 6 6 LYS N N 6 127.447 127.447 128.453 -1.006 18737
862 1 7 . 1 1 6 6 LYS H H 6 8.879 8.879 8.499 0.380 18737
863 1 7 . 1 1 7 7 THR N N 7 115.299 115.299 117.312 -2.013 18737
864 1 7 . 1 1 7 7 THR H H 7 8.744 8.744 8.424 0.320 18737
865 1 7 . 1 1 8 8 LEU N N 8 120.685 120.685 123.465 -2.780 18737
866 1 7 . 1 1 8 8 LEU H H 8 9.034 9.034 9.169 -0.135 18737
867 1 7 . 1 1 9 9 THR N N 9 105.749 105.749 109.972 -4.223 18737
868 1 7 . 1 1 9 9 THR H H 9 7.669 7.669 7.906 -0.237 18737
869 1 7 . 1 1 10 10 GLY N N 10 108.810 108.810 109.297 -0.487 18737
870 1 7 . 1 1 10 10 GLY H H 10 7.833 7.833 7.605 0.228 18737
871 1 7 . 1 1 11 11 LYS N N 11 121.383 121.383 121.164 0.219 18737
872 1 7 . 1 1 11 11 LYS H H 11 7.259 7.259 7.905 -0.646 18737
873 1 7 . 1 1 12 12 THR N N 12 120.278 120.278 122.213 -1.935 18737
874 1 7 . 1 1 12 12 THR H H 12 8.651 8.651 8.366 0.285 18737
875 1 7 . 1 1 13 13 ILE N N 13 127.477 127.477 127.706 -0.229 18737
876 1 7 . 1 1 13 13 ILE H H 13 9.540 9.540 8.510 1.030 18737
877 1 7 . 1 1 14 14 THR N N 14 121.613 121.613 118.656 2.957 18737
878 1 7 . 1 1 14 14 THR H H 14 8.750 8.750 8.428 0.322 18737
879 1 7 . 1 1 15 15 LEU N N 15 124.946 124.946 123.525 1.421 18737
880 1 7 . 1 1 15 15 LEU H H 15 8.729 8.729 8.510 0.219 18737
881 1 7 . 1 1 16 16 GLU N N 16 122.227 122.227 124.583 -2.356 18737
882 1 7 . 1 1 16 16 GLU H H 16 8.141 8.141 8.440 -0.299 18737
883 1 7 . 1 1 17 17 VAL N N 17 117.285 117.285 121.047 -3.762 18737
884 1 7 . 1 1 17 17 VAL H H 17 8.941 8.941 8.258 0.683 18737
885 1 7 . 1 1 18 18 GLU N N 18 118.997 118.997 126.029 -7.032 18737
886 1 7 . 1 1 18 18 GLU H H 18 8.659 8.659 8.444 0.215 18737
887 1 7 . 1 1 20 20 SER N N 20 103.080 103.080 110.642 -7.562 18737
888 1 7 . 1 1 20 20 SER H H 20 7.035 7.035 8.271 -1.236 18737
889 1 7 . 1 1 21 21 ASP N N 21 123.134 123.134 121.621 1.513 18737
890 1 7 . 1 1 21 21 ASP H H 21 8.003 8.003 7.468 0.535 18737
891 1 7 . 1 1 22 22 THR N N 22 108.684 108.684 113.490 -4.806 18737
892 1 7 . 1 1 22 22 THR H H 22 7.893 7.893 8.195 -0.302 18737
893 1 7 . 1 1 23 23 ILE N N 23 120.936 120.936 123.556 -2.620 18737
894 1 7 . 1 1 23 23 ILE H H 23 8.543 8.543 8.948 -0.405 18737
895 1 7 . 1 1 24 24 GLU N N 24 120.830 120.830 119.297 1.533 18737
896 1 7 . 1 1 24 24 GLU H H 24 9.760 9.760 8.194 1.566 18737
897 1 7 . 1 1 25 25 ASN N N 25 121.026 121.026 118.897 2.129 18737
898 1 7 . 1 1 25 25 ASN H H 25 7.927 7.927 7.497 0.430 18737
899 1 7 . 1 1 26 26 VAL N N 26 121.828 121.828 121.274 0.554 18737
900 1 7 . 1 1 26 26 VAL H H 26 8.103 8.103 8.064 0.039 18737
901 1 7 . 1 1 27 27 LYS N N 27 118.641 118.641 118.922 -0.281 18737
902 1 7 . 1 1 27 27 LYS H H 27 8.577 8.577 8.026 0.551 18737
903 1 7 . 1 1 28 28 ALA N N 28 123.566 123.566 122.226 1.340 18737
904 1 7 . 1 1 28 28 ALA H H 28 8.055 8.055 7.516 0.539 18737
905 1 7 . 1 1 29 29 LYS N N 29 119.910 119.910 119.348 0.562 18737
906 1 7 . 1 1 29 29 LYS H H 29 7.873 7.873 7.827 0.046 18737
907 1 7 . 1 1 30 30 ILE N N 30 120.937 120.937 120.030 0.907 18737
908 1 7 . 1 1 30 30 ILE H H 30 8.262 8.262 8.263 -0.001 18737
909 1 7 . 1 1 31 31 GLN N N 31 123.250 123.250 119.519 3.731 18737
910 1 7 . 1 1 31 31 GLN H H 31 8.572 8.572 8.050 0.522 18737
911 1 7 . 1 1 32 32 ASP N N 32 119.468 119.468 118.688 0.780 18737
912 1 7 . 1 1 32 32 ASP H H 32 8.052 8.052 7.454 0.598 18737
913 1 7 . 1 1 33 33 LYS N N 33 115.157 115.157 119.481 -4.324 18737
914 1 7 . 1 1 33 33 LYS H H 33 7.447 7.447 7.561 -0.114 18737
915 1 7 . 1 1 34 34 GLU N N 34 113.856 113.856 115.628 -1.772 18737
916 1 7 . 1 1 34 34 GLU H H 34 8.719 8.719 8.249 0.470 18737
917 1 7 . 1 1 35 35 GLY N N 35 108.551 108.551 108.329 0.222 18737
918 1 7 . 1 1 35 35 GLY H H 35 8.507 8.507 7.729 0.778 18737
919 1 7 . 1 1 36 36 ILE N N 36 119.943 119.943 121.228 -1.285 18737
920 1 7 . 1 1 36 36 ILE H H 36 6.147 6.147 7.451 -1.304 18737
921 1 7 . 1 1 39 39 ASP N N 39 113.228 113.228 116.004 -2.776 18737
922 1 7 . 1 1 39 39 ASP H H 39 8.540 8.540 8.303 0.237 18737
923 1 7 . 1 1 40 40 GLN N N 40 116.604 116.604 114.611 1.993 18737
924 1 7 . 1 1 40 40 GLN H H 40 7.761 7.761 7.592 0.169 18737
925 1 7 . 1 1 41 41 GLN N N 41 117.236 117.236 119.461 -2.225 18737
926 1 7 . 1 1 41 41 GLN H H 41 7.438 7.438 7.095 0.343 18737
927 1 7 . 1 1 42 42 ARG N N 42 122.253 122.253 124.196 -1.943 18737
928 1 7 . 1 1 42 42 ARG H H 42 8.381 8.381 8.192 0.189 18737
929 1 7 . 1 1 43 43 LEU N N 43 123.939 123.939 127.412 -3.473 18737
930 1 7 . 1 1 43 43 LEU H H 43 8.873 8.873 8.821 0.052 18737
931 1 7 . 1 1 44 44 ILE N N 44 122.126 122.126 124.169 -2.043 18737
932 1 7 . 1 1 44 44 ILE H H 44 9.147 9.147 8.912 0.235 18737
933 1 7 . 1 1 45 45 PHE N N 45 125.527 125.527 127.574 -2.047 18737
934 1 7 . 1 1 45 45 PHE H H 45 8.895 8.895 9.110 -0.215 18737
935 1 7 . 1 1 46 46 ALA N N 46 132.646 132.646 129.012 3.634 18737
936 1 7 . 1 1 46 46 ALA H H 46 9.033 9.033 8.720 0.313 18737
937 1 7 . 1 1 47 47 GLY N N 47 102.802 102.802 101.516 1.286 18737
938 1 7 . 1 1 47 47 GLY H H 47 8.265 8.265 8.385 -0.120 18737
939 1 7 . 1 1 48 48 LYS N N 48 121.141 121.141 121.572 -0.431 18737
940 1 7 . 1 1 48 48 LYS H H 48 7.956 7.956 7.664 0.292 18737
941 1 7 . 1 1 49 49 GLN N N 49 122.737 122.737 121.383 1.354 18737
942 1 7 . 1 1 49 49 GLN H H 49 8.693 8.693 8.526 0.167 18737
943 1 7 . 1 1 50 50 LEU N N 50 125.580 125.580 125.909 -0.329 18737
944 1 7 . 1 1 50 50 LEU H H 50 8.575 8.575 8.317 0.258 18737
945 1 7 . 1 1 51 51 GLU N N 51 122.984 122.984 123.869 -0.885 18737
946 1 7 . 1 1 51 51 GLU H H 51 8.406 8.406 8.356 0.050 18737
947 1 7 . 1 1 52 52 ASP N N 52 120.142 120.142 128.899 -8.757 18737
948 1 7 . 1 1 52 52 ASP H H 52 8.163 8.163 8.980 -0.817 18737
949 1 7 . 1 1 53 53 GLY N N 53 108.221 108.221 105.256 2.965 18737
950 1 7 . 1 1 53 53 GLY H H 53 8.290 8.290 7.886 0.404 18737
951 1 7 . 1 1 54 54 ARG N N 54 119.053 119.053 120.411 -1.358 18737
952 1 7 . 1 1 54 54 ARG H H 54 7.487 7.487 8.050 -0.563 18737
953 1 7 . 1 1 55 55 THR N N 55 108.479 108.479 111.494 -3.015 18737
954 1 7 . 1 1 55 55 THR H H 55 8.833 8.833 8.055 0.778 18737
955 1 7 . 1 1 56 56 LEU N N 56 117.731 117.731 122.290 -4.559 18737
956 1 7 . 1 1 56 56 LEU H H 56 8.141 8.141 8.534 -0.393 18737
957 1 7 . 1 1 57 57 SER N N 57 113.175 113.175 112.274 0.901 18737
958 1 7 . 1 1 57 57 SER H H 57 8.493 8.493 7.960 0.533 18737
959 1 7 . 1 1 58 58 ASP N N 58 124.176 124.176 122.630 1.546 18737
960 1 7 . 1 1 58 58 ASP H H 58 7.937 7.937 8.163 -0.226 18737
961 1 7 . 1 1 59 59 TYR N N 59 115.426 115.426 114.971 0.455 18737
962 1 7 . 1 1 59 59 TYR H H 59 7.264 7.264 7.734 -0.470 18737
963 1 7 . 1 1 60 60 ASN N N 60 115.641 115.641 114.315 1.326 18737
964 1 7 . 1 1 60 60 ASN H H 60 8.155 8.155 7.604 0.551 18737
965 1 7 . 1 1 61 61 ILE N N 61 118.537 118.537 119.001 -0.464 18737
966 1 7 . 1 1 61 61 ILE H H 61 7.229 7.229 7.955 -0.726 18737
967 1 7 . 1 1 62 62 GLN N N 62 124.612 124.612 120.038 4.574 18737
968 1 7 . 1 1 62 62 GLN H H 62 7.632 7.632 8.115 -0.483 18737
969 1 7 . 1 1 63 63 LYS N N 63 120.190 120.190 119.935 0.255 18737
970 1 7 . 1 1 63 63 LYS H H 63 8.495 8.495 8.560 -0.065 18737
971 1 7 . 1 1 64 64 GLU N N 64 114.252 114.252 118.255 -4.003 18737
972 1 7 . 1 1 64 64 GLU H H 64 9.302 9.302 8.598 0.704 18737
973 1 7 . 1 1 65 65 SER N N 65 114.586 114.586 112.831 1.755 18737
974 1 7 . 1 1 65 65 SER H H 65 7.654 7.654 7.569 0.085 18737
975 1 7 . 1 1 66 66 THR N N 66 117.176 117.176 118.340 -1.164 18737
976 1 7 . 1 1 66 66 THR H H 66 8.735 8.735 8.512 0.223 18737
977 1 7 . 1 1 67 67 LEU N N 67 127.152 127.152 127.294 -0.142 18737
978 1 7 . 1 1 67 67 LEU H H 67 9.359 9.359 9.041 0.318 18737
979 1 7 . 1 1 68 68 HIS N N 68 118.492 118.492 124.808 -6.316 18737
980 1 7 . 1 1 68 68 HIS H H 68 9.111 9.111 8.755 0.356 18737
981 1 7 . 1 1 69 69 LEU N N 69 125.249 125.249 131.049 -5.800 18737
982 1 7 . 1 1 69 69 LEU H H 69 8.721 8.721 8.659 0.062 18737
983 1 7 . 1 1 70 70 VAL N N 70 126.564 126.564 127.271 -0.707 18737
984 1 7 . 1 1 70 70 VAL H H 70 9.191 9.191 8.861 0.330 18737
985 1 7 . 1 1 71 71 LEU N N 71 123.127 123.127 121.714 1.413 18737
986 1 7 . 1 1 71 71 LEU H H 71 8.065 8.065 8.316 -0.251 18737
987 1 7 . 1 1 72 72 ARG N N 72 123.576 123.576 125.238 -1.662 18737
988 1 7 . 1 1 72 72 ARG H H 72 8.737 8.737 8.499 0.238 18737
989 1 7 . 1 1 73 73 LEU N N 73 123.544 123.544 121.535 2.009 18737
990 1 7 . 1 1 73 73 LEU H H 73 8.288 8.288 8.631 -0.343 18737
991 1 7 . 1 1 74 74 ARG N N 74 121.620 121.620 124.579 -2.959 18737
992 1 7 . 1 1 74 74 ARG H H 74 8.486 8.486 8.252 0.234 18737
993 1 7 . 1 1 75 75 GLY N N 75 109.865 109.865 108.789 1.076 18737
994 1 7 . 1 1 75 75 GLY H H 75 8.479 8.479 8.102 0.377 18737
995 1 8 . 1 1 2 2 GLN N N 2 122.408 122.408 122.055 0.353 18737
996 1 8 . 1 1 2 2 GLN H H 2 8.945 8.945 8.362 0.583 18737
997 1 8 . 1 1 3 3 ILE N N 3 114.615 114.615 116.198 -1.583 18737
998 1 8 . 1 1 3 3 ILE H H 3 8.299 8.299 8.017 0.282 18737
999 1 8 . 1 1 4 4 PHE N N 4 118.379 118.379 121.439 -3.060 18737
1000 1 8 . 1 1 4 4 PHE H H 4 8.579 8.579 9.118 -0.539 18737
1001 1 8 . 1 1 5 5 VAL N N 5 120.954 120.954 123.231 -2.277 18737
1002 1 8 . 1 1 5 5 VAL H H 5 9.296 9.296 9.084 0.212 18737
1003 1 8 . 1 1 6 6 LYS N N 6 127.447 127.447 128.616 -1.169 18737
1004 1 8 . 1 1 6 6 LYS H H 6 8.879 8.879 8.558 0.321 18737
1005 1 8 . 1 1 7 7 THR N N 7 115.299 115.299 111.004 4.295 18737
1006 1 8 . 1 1 7 7 THR H H 7 8.744 8.744 7.983 0.761 18737
1007 1 8 . 1 1 8 8 LEU N N 8 120.685 120.685 118.131 2.554 18737
1008 1 8 . 1 1 8 8 LEU H H 8 9.034 9.034 9.218 -0.184 18737
1009 1 8 . 1 1 9 9 THR N N 9 105.749 105.749 111.383 -5.634 18737
1010 1 8 . 1 1 9 9 THR H H 9 7.669 7.669 7.638 0.031 18737
1011 1 8 . 1 1 10 10 GLY N N 10 108.810 108.810 109.316 -0.506 18737
1012 1 8 . 1 1 10 10 GLY H H 10 7.833 7.833 7.598 0.235 18737
1013 1 8 . 1 1 11 11 LYS N N 11 121.383 121.383 122.236 -0.853 18737
1014 1 8 . 1 1 11 11 LYS H H 11 7.259 7.259 7.927 -0.668 18737
1015 1 8 . 1 1 12 12 THR N N 12 120.278 120.278 117.440 2.838 18737
1016 1 8 . 1 1 12 12 THR H H 12 8.651 8.651 8.071 0.580 18737
1017 1 8 . 1 1 13 13 ILE N N 13 127.477 127.477 121.249 6.228 18737
1018 1 8 . 1 1 13 13 ILE H H 13 9.540 9.540 8.339 1.201 18737
1019 1 8 . 1 1 14 14 THR N N 14 121.613 121.613 116.924 4.689 18737
1020 1 8 . 1 1 14 14 THR H H 14 8.750 8.750 8.382 0.368 18737
1021 1 8 . 1 1 15 15 LEU N N 15 124.946 124.946 122.409 2.537 18737
1022 1 8 . 1 1 15 15 LEU H H 15 8.729 8.729 8.244 0.485 18737
1023 1 8 . 1 1 16 16 GLU N N 16 122.227 122.227 125.017 -2.790 18737
1024 1 8 . 1 1 16 16 GLU H H 16 8.141 8.141 8.560 -0.419 18737
1025 1 8 . 1 1 17 17 VAL N N 17 117.285 117.285 120.842 -3.557 18737
1026 1 8 . 1 1 17 17 VAL H H 17 8.941 8.941 7.828 1.113 18737
1027 1 8 . 1 1 18 18 GLU N N 18 118.997 118.997 126.082 -7.085 18737
1028 1 8 . 1 1 18 18 GLU H H 18 8.659 8.659 8.271 0.388 18737
1029 1 8 . 1 1 20 20 SER N N 20 103.080 103.080 111.622 -8.542 18737
1030 1 8 . 1 1 20 20 SER H H 20 7.035 7.035 8.208 -1.173 18737
1031 1 8 . 1 1 21 21 ASP N N 21 123.134 123.134 121.507 1.627 18737
1032 1 8 . 1 1 21 21 ASP H H 21 8.003 8.003 7.550 0.454 18737
1033 1 8 . 1 1 22 22 THR N N 22 108.684 108.684 113.866 -5.182 18737
1034 1 8 . 1 1 22 22 THR H H 22 7.893 7.893 8.173 -0.280 18737
1035 1 8 . 1 1 23 23 ILE N N 23 120.936 120.936 123.830 -2.894 18737
1036 1 8 . 1 1 23 23 ILE H H 23 8.543 8.543 8.874 -0.331 18737
1037 1 8 . 1 1 24 24 GLU N N 24 120.830 120.830 120.097 0.733 18737
1038 1 8 . 1 1 24 24 GLU H H 24 9.760 9.760 8.323 1.437 18737
1039 1 8 . 1 1 25 25 ASN N N 25 121.026 121.026 118.346 2.680 18737
1040 1 8 . 1 1 25 25 ASN H H 25 7.927 7.927 7.595 0.332 18737
1041 1 8 . 1 1 26 26 VAL N N 26 121.828 121.828 121.044 0.784 18737
1042 1 8 . 1 1 26 26 VAL H H 26 8.103 8.103 8.056 0.047 18737
1043 1 8 . 1 1 27 27 LYS N N 27 118.641 118.641 119.012 -0.371 18737
1044 1 8 . 1 1 27 27 LYS H H 27 8.577 8.577 7.988 0.589 18737
1045 1 8 . 1 1 28 28 ALA N N 28 123.566 123.566 121.569 1.997 18737
1046 1 8 . 1 1 28 28 ALA H H 28 8.055 8.055 7.609 0.446 18737
1047 1 8 . 1 1 29 29 LYS N N 29 119.910 119.910 118.886 1.024 18737
1048 1 8 . 1 1 29 29 LYS H H 29 7.873 7.873 7.692 0.181 18737
1049 1 8 . 1 1 30 30 ILE N N 30 120.937 120.937 119.842 1.095 18737
1050 1 8 . 1 1 30 30 ILE H H 30 8.262 8.262 8.267 -0.005 18737
1051 1 8 . 1 1 31 31 GLN N N 31 123.250 123.250 118.678 4.572 18737
1052 1 8 . 1 1 31 31 GLN H H 31 8.572 8.572 8.197 0.375 18737
1053 1 8 . 1 1 32 32 ASP N N 32 119.468 119.468 119.941 -0.473 18737
1054 1 8 . 1 1 32 32 ASP H H 32 8.052 8.052 7.536 0.516 18737
1055 1 8 . 1 1 33 33 LYS N N 33 115.157 115.157 119.267 -4.110 18737
1056 1 8 . 1 1 33 33 LYS H H 33 7.447 7.447 7.416 0.031 18737
1057 1 8 . 1 1 34 34 GLU N N 34 113.856 113.856 117.389 -3.533 18737
1058 1 8 . 1 1 34 34 GLU H H 34 8.719 8.719 8.402 0.317 18737
1059 1 8 . 1 1 35 35 GLY N N 35 108.551 108.551 108.037 0.514 18737
1060 1 8 . 1 1 35 35 GLY H H 35 8.507 8.507 7.905 0.602 18737
1061 1 8 . 1 1 36 36 ILE N N 36 119.943 119.943 118.534 1.409 18737
1062 1 8 . 1 1 36 36 ILE H H 36 6.147 6.147 7.606 -1.459 18737
1063 1 8 . 1 1 39 39 ASP N N 39 113.228 113.228 115.790 -2.562 18737
1064 1 8 . 1 1 39 39 ASP H H 39 8.540 8.540 8.402 0.138 18737
1065 1 8 . 1 1 40 40 GLN N N 40 116.604 116.604 115.706 0.898 18737
1066 1 8 . 1 1 40 40 GLN H H 40 7.761 7.761 7.485 0.276 18737
1067 1 8 . 1 1 41 41 GLN N N 41 117.236 117.236 119.406 -2.170 18737
1068 1 8 . 1 1 41 41 GLN H H 41 7.438 7.438 7.261 0.177 18737
1069 1 8 . 1 1 42 42 ARG N N 42 122.253 122.253 125.985 -3.732 18737
1070 1 8 . 1 1 42 42 ARG H H 42 8.381 8.381 8.170 0.211 18737
1071 1 8 . 1 1 43 43 LEU N N 43 123.939 123.939 127.604 -3.665 18737
1072 1 8 . 1 1 43 43 LEU H H 43 8.873 8.873 8.808 0.065 18737
1073 1 8 . 1 1 44 44 ILE N N 44 122.126 122.126 123.715 -1.589 18737
1074 1 8 . 1 1 44 44 ILE H H 44 9.147 9.147 8.799 0.348 18737
1075 1 8 . 1 1 45 45 PHE N N 45 125.527 125.527 127.163 -1.636 18737
1076 1 8 . 1 1 45 45 PHE H H 45 8.895 8.895 9.118 -0.223 18737
1077 1 8 . 1 1 46 46 ALA N N 46 132.646 132.646 130.219 2.427 18737
1078 1 8 . 1 1 46 46 ALA H H 46 9.033 9.033 8.628 0.405 18737
1079 1 8 . 1 1 47 47 GLY N N 47 102.802 102.802 103.847 -1.045 18737
1080 1 8 . 1 1 47 47 GLY H H 47 8.265 8.265 8.561 -0.296 18737
1081 1 8 . 1 1 48 48 LYS N N 48 121.141 121.141 121.563 -0.422 18737
1082 1 8 . 1 1 48 48 LYS H H 48 7.956 7.956 7.606 0.350 18737
1083 1 8 . 1 1 49 49 GLN N N 49 122.737 122.737 125.060 -2.323 18737
1084 1 8 . 1 1 49 49 GLN H H 49 8.693 8.693 8.670 0.023 18737
1085 1 8 . 1 1 50 50 LEU N N 50 125.580 125.580 127.199 -1.619 18737
1086 1 8 . 1 1 50 50 LEU H H 50 8.575 8.575 8.411 0.164 18737
1087 1 8 . 1 1 51 51 GLU N N 51 122.984 122.984 124.025 -1.041 18737
1088 1 8 . 1 1 51 51 GLU H H 51 8.406 8.406 8.240 0.166 18737
1089 1 8 . 1 1 52 52 ASP N N 52 120.142 120.142 126.911 -6.769 18737
1090 1 8 . 1 1 52 52 ASP H H 52 8.163 8.163 8.795 -0.632 18737
1091 1 8 . 1 1 53 53 GLY N N 53 108.221 108.221 107.205 1.016 18737
1092 1 8 . 1 1 53 53 GLY H H 53 8.290 8.290 8.305 -0.015 18737
1093 1 8 . 1 1 54 54 ARG N N 54 119.053 119.053 119.480 -0.427 18737
1094 1 8 . 1 1 54 54 ARG H H 54 7.487 7.487 8.008 -0.521 18737
1095 1 8 . 1 1 55 55 THR N N 55 108.479 108.479 110.813 -2.334 18737
1096 1 8 . 1 1 55 55 THR H H 55 8.833 8.833 8.059 0.774 18737
1097 1 8 . 1 1 56 56 LEU N N 56 117.731 117.731 121.441 -3.710 18737
1098 1 8 . 1 1 56 56 LEU H H 56 8.141 8.141 8.548 -0.407 18737
1099 1 8 . 1 1 57 57 SER N N 57 113.175 113.175 113.853 -0.678 18737
1100 1 8 . 1 1 57 57 SER H H 57 8.493 8.493 7.994 0.499 18737
1101 1 8 . 1 1 58 58 ASP N N 58 124.176 124.176 122.523 1.653 18737
1102 1 8 . 1 1 58 58 ASP H H 58 7.937 7.937 8.272 -0.335 18737
1103 1 8 . 1 1 59 59 TYR N N 59 115.426 115.426 115.171 0.255 18737
1104 1 8 . 1 1 59 59 TYR H H 59 7.264 7.264 7.558 -0.294 18737
1105 1 8 . 1 1 60 60 ASN N N 60 115.641 115.641 115.288 0.353 18737
1106 1 8 . 1 1 60 60 ASN H H 60 8.155 8.155 7.600 0.555 18737
1107 1 8 . 1 1 61 61 ILE N N 61 118.537 118.537 120.554 -2.017 18737
1108 1 8 . 1 1 61 61 ILE H H 61 7.229 7.229 8.037 -0.808 18737
1109 1 8 . 1 1 62 62 GLN N N 62 124.612 124.612 126.044 -1.432 18737
1110 1 8 . 1 1 62 62 GLN H H 62 7.632 7.632 8.360 -0.728 18737
1111 1 8 . 1 1 63 63 LYS N N 63 120.190 120.190 119.926 0.264 18737
1112 1 8 . 1 1 63 63 LYS H H 63 8.495 8.495 8.547 -0.052 18737
1113 1 8 . 1 1 64 64 GLU N N 64 114.252 114.252 119.976 -5.724 18737
1114 1 8 . 1 1 64 64 GLU H H 64 9.302 9.302 8.594 0.708 18737
1115 1 8 . 1 1 65 65 SER N N 65 114.586 114.586 113.487 1.099 18737
1116 1 8 . 1 1 65 65 SER H H 65 7.654 7.654 7.391 0.263 18737
1117 1 8 . 1 1 66 66 THR N N 66 117.176 117.176 116.791 0.385 18737
1118 1 8 . 1 1 66 66 THR H H 66 8.735 8.735 8.559 0.176 18737
1119 1 8 . 1 1 67 67 LEU N N 67 127.152 127.152 130.555 -3.403 18737
1120 1 8 . 1 1 67 67 LEU H H 67 9.359 9.359 9.154 0.205 18737
1121 1 8 . 1 1 68 68 HIS N N 68 118.492 118.492 124.891 -6.399 18737
1122 1 8 . 1 1 68 68 HIS H H 68 9.111 9.111 8.734 0.377 18737
1123 1 8 . 1 1 69 69 LEU N N 69 125.249 125.249 131.562 -6.313 18737
1124 1 8 . 1 1 69 69 LEU H H 69 8.721 8.721 8.706 0.015 18737
1125 1 8 . 1 1 70 70 VAL N N 70 126.564 126.564 122.904 3.660 18737
1126 1 8 . 1 1 70 70 VAL H H 70 9.191 9.191 8.823 0.368 18737
1127 1 8 . 1 1 71 71 LEU N N 71 123.127 123.127 119.967 3.160 18737
1128 1 8 . 1 1 71 71 LEU H H 71 8.065 8.065 8.352 -0.287 18737
1129 1 8 . 1 1 72 72 ARG N N 72 123.576 123.576 125.117 -1.541 18737
1130 1 8 . 1 1 72 72 ARG H H 72 8.737 8.737 8.668 0.069 18737
1131 1 8 . 1 1 73 73 LEU N N 73 123.544 123.544 126.303 -2.759 18737
1132 1 8 . 1 1 73 73 LEU H H 73 8.288 8.288 8.168 0.120 18737
1133 1 8 . 1 1 74 74 ARG N N 74 121.620 121.620 120.168 1.452 18737
1134 1 8 . 1 1 74 74 ARG H H 74 8.486 8.486 8.540 -0.054 18737
1135 1 8 . 1 1 75 75 GLY N N 75 109.865 109.865 107.109 2.756 18737
1136 1 8 . 1 1 75 75 GLY H H 75 8.479 8.479 8.375 0.104 18737
1137 1 9 . 1 1 2 2 GLN N N 2 122.408 122.408 127.749 -5.341 18737
1138 1 9 . 1 1 2 2 GLN H H 2 8.945 8.945 8.519 0.426 18737
1139 1 9 . 1 1 3 3 ILE N N 3 114.615 114.615 115.499 -0.884 18737
1140 1 9 . 1 1 3 3 ILE H H 3 8.299 8.299 8.598 -0.299 18737
1141 1 9 . 1 1 4 4 PHE N N 4 118.379 118.379 121.270 -2.891 18737
1142 1 9 . 1 1 4 4 PHE H H 4 8.579 8.579 9.052 -0.473 18737
1143 1 9 . 1 1 5 5 VAL N N 5 120.954 120.954 123.695 -2.741 18737
1144 1 9 . 1 1 5 5 VAL H H 5 9.296 9.296 9.045 0.251 18737
1145 1 9 . 1 1 6 6 LYS N N 6 127.447 127.447 130.050 -2.603 18737
1146 1 9 . 1 1 6 6 LYS H H 6 8.879 8.879 8.490 0.389 18737
1147 1 9 . 1 1 7 7 THR N N 7 115.299 115.299 118.297 -2.998 18737
1148 1 9 . 1 1 7 7 THR H H 7 8.744 8.744 8.536 0.208 18737
1149 1 9 . 1 1 8 8 LEU N N 8 120.685 120.685 115.197 5.488 18737
1150 1 9 . 1 1 8 8 LEU H H 8 9.034 9.034 8.514 0.520 18737
1151 1 9 . 1 1 9 9 THR N N 9 105.749 105.749 114.065 -8.316 18737
1152 1 9 . 1 1 9 9 THR H H 9 7.669 7.669 7.537 0.132 18737
1153 1 9 . 1 1 10 10 GLY N N 10 108.810 108.810 110.488 -1.678 18737
1154 1 9 . 1 1 10 10 GLY H H 10 7.833 7.833 7.579 0.254 18737
1155 1 9 . 1 1 11 11 LYS N N 11 121.383 121.383 122.198 -0.815 18737
1156 1 9 . 1 1 11 11 LYS H H 11 7.259 7.259 7.589 -0.330 18737
1157 1 9 . 1 1 12 12 THR N N 12 120.278 120.278 119.298 0.980 18737
1158 1 9 . 1 1 12 12 THR H H 12 8.651 8.651 8.269 0.382 18737
1159 1 9 . 1 1 13 13 ILE N N 13 127.477 127.477 121.726 5.751 18737
1160 1 9 . 1 1 13 13 ILE H H 13 9.540 9.540 8.391 1.149 18737
1161 1 9 . 1 1 14 14 THR N N 14 121.613 121.613 117.545 4.068 18737
1162 1 9 . 1 1 14 14 THR H H 14 8.750 8.750 8.347 0.403 18737
1163 1 9 . 1 1 15 15 LEU N N 15 124.946 124.946 125.247 -0.301 18737
1164 1 9 . 1 1 15 15 LEU H H 15 8.729 8.729 8.841 -0.112 18737
1165 1 9 . 1 1 16 16 GLU N N 16 122.227 122.227 123.900 -1.673 18737
1166 1 9 . 1 1 16 16 GLU H H 16 8.141 8.141 8.462 -0.321 18737
1167 1 9 . 1 1 17 17 VAL N N 17 117.285 117.285 119.722 -2.437 18737
1168 1 9 . 1 1 17 17 VAL H H 17 8.941 8.941 8.747 0.194 18737
1169 1 9 . 1 1 18 18 GLU N N 18 118.997 118.997 118.189 0.808 18737
1170 1 9 . 1 1 18 18 GLU H H 18 8.659 8.659 8.406 0.253 18737
1171 1 9 . 1 1 20 20 SER N N 20 103.080 103.080 109.316 -6.236 18737
1172 1 9 . 1 1 20 20 SER H H 20 7.035 7.035 7.885 -0.850 18737
1173 1 9 . 1 1 21 21 ASP N N 21 123.134 123.134 123.223 -0.089 18737
1174 1 9 . 1 1 21 21 ASP H H 21 8.003 8.003 7.794 0.209 18737
1175 1 9 . 1 1 22 22 THR N N 22 108.684 108.684 119.594 -10.910 18737
1176 1 9 . 1 1 22 22 THR H H 22 7.893 7.893 8.045 -0.152 18737
1177 1 9 . 1 1 23 23 ILE N N 23 120.936 120.936 126.126 -5.190 18737
1178 1 9 . 1 1 23 23 ILE H H 23 8.543 8.543 9.063 -0.520 18737
1179 1 9 . 1 1 24 24 GLU N N 24 120.830 120.830 120.129 0.701 18737
1180 1 9 . 1 1 24 24 GLU H H 24 9.760 9.760 8.480 1.280 18737
1181 1 9 . 1 1 25 25 ASN N N 25 121.026 121.026 118.135 2.891 18737
1182 1 9 . 1 1 25 25 ASN H H 25 7.927 7.927 7.885 0.042 18737
1183 1 9 . 1 1 26 26 VAL N N 26 121.828 121.828 121.848 -0.020 18737
1184 1 9 . 1 1 26 26 VAL H H 26 8.103 8.103 8.058 0.045 18737
1185 1 9 . 1 1 27 27 LYS N N 27 118.641 118.641 119.246 -0.605 18737
1186 1 9 . 1 1 27 27 LYS H H 27 8.577 8.577 8.160 0.417 18737
1187 1 9 . 1 1 28 28 ALA N N 28 123.566 123.566 122.054 1.512 18737
1188 1 9 . 1 1 28 28 ALA H H 28 8.055 8.055 7.497 0.558 18737
1189 1 9 . 1 1 29 29 LYS N N 29 119.910 119.910 120.290 -0.380 18737
1190 1 9 . 1 1 29 29 LYS H H 29 7.873 7.873 8.023 -0.150 18737
1191 1 9 . 1 1 30 30 ILE N N 30 120.937 120.937 119.150 1.787 18737
1192 1 9 . 1 1 30 30 ILE H H 30 8.262 8.262 8.157 0.105 18737
1193 1 9 . 1 1 31 31 GLN N N 31 123.250 123.250 120.210 3.040 18737
1194 1 9 . 1 1 31 31 GLN H H 31 8.572 8.572 7.839 0.733 18737
1195 1 9 . 1 1 32 32 ASP N N 32 119.468 119.468 118.825 0.643 18737
1196 1 9 . 1 1 32 32 ASP H H 32 8.052 8.052 8.003 0.049 18737
1197 1 9 . 1 1 33 33 LYS N N 33 115.157 115.157 119.069 -3.912 18737
1198 1 9 . 1 1 33 33 LYS H H 33 7.447 7.447 7.601 -0.154 18737
1199 1 9 . 1 1 34 34 GLU N N 34 113.856 113.856 117.236 -3.380 18737
1200 1 9 . 1 1 34 34 GLU H H 34 8.719 8.719 8.163 0.556 18737
1201 1 9 . 1 1 35 35 GLY N N 35 108.551 108.551 108.028 0.523 18737
1202 1 9 . 1 1 35 35 GLY H H 35 8.507 8.507 7.956 0.551 18737
1203 1 9 . 1 1 36 36 ILE N N 36 119.943 119.943 117.637 2.306 18737
1204 1 9 . 1 1 36 36 ILE H H 36 6.147 6.147 7.525 -1.378 18737
1205 1 9 . 1 1 39 39 ASP N N 39 113.228 113.228 114.930 -1.702 18737
1206 1 9 . 1 1 39 39 ASP H H 39 8.540 8.540 8.663 -0.123 18737
1207 1 9 . 1 1 40 40 GLN N N 40 116.604 116.604 115.603 1.001 18737
1208 1 9 . 1 1 40 40 GLN H H 40 7.761 7.761 7.496 0.265 18737
1209 1 9 . 1 1 41 41 GLN N N 41 117.236 117.236 121.831 -4.595 18737
1210 1 9 . 1 1 41 41 GLN H H 41 7.438 7.438 7.102 0.336 18737
1211 1 9 . 1 1 42 42 ARG N N 42 122.253 122.253 128.573 -6.320 18737
1212 1 9 . 1 1 42 42 ARG H H 42 8.381 8.381 8.459 -0.078 18737
1213 1 9 . 1 1 43 43 LEU N N 43 123.939 123.939 128.745 -4.806 18737
1214 1 9 . 1 1 43 43 LEU H H 43 8.873 8.873 8.798 0.075 18737
1215 1 9 . 1 1 44 44 ILE N N 44 122.126 122.126 123.513 -1.387 18737
1216 1 9 . 1 1 44 44 ILE H H 44 9.147 9.147 9.008 0.139 18737
1217 1 9 . 1 1 45 45 PHE N N 45 125.527 125.527 126.398 -0.871 18737
1218 1 9 . 1 1 45 45 PHE H H 45 8.895 8.895 8.883 0.012 18737
1219 1 9 . 1 1 46 46 ALA N N 46 132.646 132.646 128.877 3.769 18737
1220 1 9 . 1 1 46 46 ALA H H 46 9.033 9.033 8.739 0.294 18737
1221 1 9 . 1 1 47 47 GLY N N 47 102.802 102.802 102.429 0.373 18737
1222 1 9 . 1 1 47 47 GLY H H 47 8.265 8.265 8.141 0.124 18737
1223 1 9 . 1 1 48 48 LYS N N 48 121.141 121.141 121.839 -0.698 18737
1224 1 9 . 1 1 48 48 LYS H H 48 7.956 7.956 7.866 0.090 18737
1225 1 9 . 1 1 49 49 GLN N N 49 122.737 122.737 122.403 0.334 18737
1226 1 9 . 1 1 49 49 GLN H H 49 8.693 8.693 8.573 0.120 18737
1227 1 9 . 1 1 50 50 LEU N N 50 125.580 125.580 126.794 -1.214 18737
1228 1 9 . 1 1 50 50 LEU H H 50 8.575 8.575 8.532 0.043 18737
1229 1 9 . 1 1 51 51 GLU N N 51 122.984 122.984 123.504 -0.520 18737
1230 1 9 . 1 1 51 51 GLU H H 51 8.406 8.406 8.190 0.216 18737
1231 1 9 . 1 1 52 52 ASP N N 52 120.142 120.142 127.007 -6.865 18737
1232 1 9 . 1 1 52 52 ASP H H 52 8.163 8.163 8.939 -0.776 18737
1233 1 9 . 1 1 53 53 GLY N N 53 108.221 108.221 103.536 4.685 18737
1234 1 9 . 1 1 53 53 GLY H H 53 8.290 8.290 8.253 0.037 18737
1235 1 9 . 1 1 54 54 ARG N N 54 119.053 119.053 120.903 -1.850 18737
1236 1 9 . 1 1 54 54 ARG H H 54 7.487 7.487 7.889 -0.402 18737
1237 1 9 . 1 1 55 55 THR N N 55 108.479 108.479 111.070 -2.591 18737
1238 1 9 . 1 1 55 55 THR H H 55 8.833 8.833 8.790 0.043 18737
1239 1 9 . 1 1 56 56 LEU N N 56 117.731 117.731 121.696 -3.965 18737
1240 1 9 . 1 1 56 56 LEU H H 56 8.141 8.141 8.932 -0.791 18737
1241 1 9 . 1 1 57 57 SER N N 57 113.175 113.175 114.873 -1.698 18737
1242 1 9 . 1 1 57 57 SER H H 57 8.493 8.493 8.052 0.441 18737
1243 1 9 . 1 1 58 58 ASP N N 58 124.176 124.176 124.064 0.112 18737
1244 1 9 . 1 1 58 58 ASP H H 58 7.937 7.937 8.440 -0.503 18737
1245 1 9 . 1 1 59 59 TYR N N 59 115.426 115.426 115.403 0.023 18737
1246 1 9 . 1 1 59 59 TYR H H 59 7.264 7.264 7.742 -0.478 18737
1247 1 9 . 1 1 60 60 ASN N N 60 115.641 115.641 114.574 1.067 18737
1248 1 9 . 1 1 60 60 ASN H H 60 8.155 8.155 7.809 0.346 18737
1249 1 9 . 1 1 61 61 ILE N N 61 118.537 118.537 120.507 -1.970 18737
1250 1 9 . 1 1 61 61 ILE H H 61 7.229 7.229 7.856 -0.627 18737
1251 1 9 . 1 1 62 62 GLN N N 62 124.612 124.612 125.978 -1.366 18737
1252 1 9 . 1 1 62 62 GLN H H 62 7.632 7.632 8.006 -0.374 18737
1253 1 9 . 1 1 63 63 LYS N N 63 120.190 120.190 119.592 0.598 18737
1254 1 9 . 1 1 63 63 LYS H H 63 8.495 8.495 8.376 0.119 18737
1255 1 9 . 1 1 64 64 GLU N N 64 114.252 114.252 118.838 -4.586 18737
1256 1 9 . 1 1 64 64 GLU H H 64 9.302 9.302 8.660 0.642 18737
1257 1 9 . 1 1 65 65 SER N N 65 114.586 114.586 113.002 1.584 18737
1258 1 9 . 1 1 65 65 SER H H 65 7.654 7.654 7.416 0.238 18737
1259 1 9 . 1 1 66 66 THR N N 66 117.176 117.176 119.113 -1.937 18737
1260 1 9 . 1 1 66 66 THR H H 66 8.735 8.735 8.656 0.078 18737
1261 1 9 . 1 1 67 67 LEU N N 67 127.152 127.152 130.704 -3.552 18737
1262 1 9 . 1 1 67 67 LEU H H 67 9.359 9.359 9.288 0.071 18737
1263 1 9 . 1 1 68 68 HIS N N 68 118.492 118.492 123.679 -5.187 18737
1264 1 9 . 1 1 68 68 HIS H H 68 9.111 9.111 8.990 0.121 18737
1265 1 9 . 1 1 69 69 LEU N N 69 125.249 125.249 130.231 -4.982 18737
1266 1 9 . 1 1 69 69 LEU H H 69 8.721 8.721 8.517 0.204 18737
1267 1 9 . 1 1 70 70 VAL N N 70 126.564 126.564 124.827 1.737 18737
1268 1 9 . 1 1 70 70 VAL H H 70 9.191 9.191 9.210 -0.019 18737
1269 1 9 . 1 1 71 71 LEU N N 71 123.127 123.127 122.661 0.466 18737
1270 1 9 . 1 1 71 71 LEU H H 71 8.065 8.065 8.348 -0.283 18737
1271 1 9 . 1 1 72 72 ARG N N 72 123.576 123.576 126.520 -2.944 18737
1272 1 9 . 1 1 72 72 ARG H H 72 8.737 8.737 7.835 0.902 18737
1273 1 9 . 1 1 73 73 LEU N N 73 123.544 123.544 122.044 1.500 18737
1274 1 9 . 1 1 73 73 LEU H H 73 8.288 8.288 8.641 -0.353 18737
1275 1 9 . 1 1 74 74 ARG N N 74 121.620 121.620 124.127 -2.507 18737
1276 1 9 . 1 1 74 74 ARG H H 74 8.486 8.486 8.691 -0.205 18737
1277 1 9 . 1 1 75 75 GLY N N 75 109.865 109.865 107.943 1.922 18737
1278 1 9 . 1 1 75 75 GLY H H 75 8.479 8.479 7.976 0.503 18737
1279 1 10 . 1 1 2 2 GLN N N 2 122.408 122.408 125.402 -2.994 18737
1280 1 10 . 1 1 2 2 GLN H H 2 8.945 8.945 8.681 0.264 18737
1281 1 10 . 1 1 3 3 ILE N N 3 114.615 114.615 114.124 0.491 18737
1282 1 10 . 1 1 3 3 ILE H H 3 8.299 8.299 8.001 0.298 18737
1283 1 10 . 1 1 4 4 PHE N N 4 118.379 118.379 120.490 -2.111 18737
1284 1 10 . 1 1 4 4 PHE H H 4 8.579 8.579 8.884 -0.305 18737
1285 1 10 . 1 1 5 5 VAL N N 5 120.954 120.954 123.711 -2.757 18737
1286 1 10 . 1 1 5 5 VAL H H 5 9.296 9.296 9.057 0.239 18737
1287 1 10 . 1 1 6 6 LYS N N 6 127.447 127.447 129.845 -2.398 18737
1288 1 10 . 1 1 6 6 LYS H H 6 8.879 8.879 8.565 0.314 18737
1289 1 10 . 1 1 7 7 THR N N 7 115.299 115.299 116.508 -1.209 18737
1290 1 10 . 1 1 7 7 THR H H 7 8.744 8.744 7.995 0.749 18737
1291 1 10 . 1 1 8 8 LEU N N 8 120.685 120.685 119.549 1.136 18737
1292 1 10 . 1 1 8 8 LEU H H 8 9.034 9.034 8.883 0.151 18737
1293 1 10 . 1 1 9 9 THR N N 9 105.749 105.749 111.477 -5.728 18737
1294 1 10 . 1 1 9 9 THR H H 9 7.669 7.669 7.599 0.070 18737
1295 1 10 . 1 1 10 10 GLY N N 10 108.810 108.810 109.438 -0.628 18737
1296 1 10 . 1 1 10 10 GLY H H 10 7.833 7.833 7.683 0.150 18737
1297 1 10 . 1 1 11 11 LYS N N 11 121.383 121.383 122.657 -1.274 18737
1298 1 10 . 1 1 11 11 LYS H H 11 7.259 7.259 7.916 -0.657 18737
1299 1 10 . 1 1 12 12 THR N N 12 120.278 120.278 116.314 3.964 18737
1300 1 10 . 1 1 12 12 THR H H 12 8.651 8.651 8.267 0.384 18737
1301 1 10 . 1 1 13 13 ILE N N 13 127.477 127.477 121.344 6.133 18737
1302 1 10 . 1 1 13 13 ILE H H 13 9.540 9.540 8.316 1.224 18737
1303 1 10 . 1 1 14 14 THR N N 14 121.613 121.613 121.590 0.023 18737
1304 1 10 . 1 1 14 14 THR H H 14 8.750 8.750 8.459 0.291 18737
1305 1 10 . 1 1 15 15 LEU N N 15 124.946 124.946 126.023 -1.077 18737
1306 1 10 . 1 1 15 15 LEU H H 15 8.729 8.729 8.458 0.271 18737
1307 1 10 . 1 1 16 16 GLU N N 16 122.227 122.227 121.959 0.268 18737
1308 1 10 . 1 1 16 16 GLU H H 16 8.141 8.141 8.484 -0.343 18737
1309 1 10 . 1 1 17 17 VAL N N 17 117.285 117.285 118.771 -1.486 18737
1310 1 10 . 1 1 17 17 VAL H H 17 8.941 8.941 8.526 0.415 18737
1311 1 10 . 1 1 18 18 GLU N N 18 118.997 118.997 118.922 0.075 18737
1312 1 10 . 1 1 18 18 GLU H H 18 8.659 8.659 8.615 0.044 18737
1313 1 10 . 1 1 20 20 SER N N 20 103.080 103.080 109.017 -5.937 18737
1314 1 10 . 1 1 20 20 SER H H 20 7.035 7.035 7.922 -0.887 18737
1315 1 10 . 1 1 21 21 ASP N N 21 123.134 123.134 123.514 -0.380 18737
1316 1 10 . 1 1 21 21 ASP H H 21 8.003 8.003 7.873 0.130 18737
1317 1 10 . 1 1 22 22 THR N N 22 108.684 108.684 119.559 -10.875 18737
1318 1 10 . 1 1 22 22 THR H H 22 7.893 7.893 8.346 -0.453 18737
1319 1 10 . 1 1 23 23 ILE N N 23 120.936 120.936 125.915 -4.979 18737
1320 1 10 . 1 1 23 23 ILE H H 23 8.543 8.543 8.851 -0.308 18737
1321 1 10 . 1 1 24 24 GLU N N 24 120.830 120.830 118.548 2.282 18737
1322 1 10 . 1 1 24 24 GLU H H 24 9.760 9.760 8.209 1.551 18737
1323 1 10 . 1 1 25 25 ASN N N 25 121.026 121.026 118.713 2.313 18737
1324 1 10 . 1 1 25 25 ASN H H 25 7.927 7.927 7.709 0.218 18737
1325 1 10 . 1 1 26 26 VAL N N 26 121.828 121.828 120.517 1.311 18737
1326 1 10 . 1 1 26 26 VAL H H 26 8.103 8.103 8.026 0.077 18737
1327 1 10 . 1 1 27 27 LYS N N 27 118.641 118.641 119.273 -0.632 18737
1328 1 10 . 1 1 27 27 LYS H H 27 8.577 8.577 8.213 0.364 18737
1329 1 10 . 1 1 28 28 ALA N N 28 123.566 123.566 121.969 1.597 18737
1330 1 10 . 1 1 28 28 ALA H H 28 8.055 8.055 7.621 0.434 18737
1331 1 10 . 1 1 29 29 LYS N N 29 119.910 119.910 119.489 0.421 18737
1332 1 10 . 1 1 29 29 LYS H H 29 7.873 7.873 7.657 0.216 18737
1333 1 10 . 1 1 30 30 ILE N N 30 120.937 120.937 120.332 0.605 18737
1334 1 10 . 1 1 30 30 ILE H H 30 8.262 8.262 8.314 -0.052 18737
1335 1 10 . 1 1 31 31 GLN N N 31 123.250 123.250 120.221 3.029 18737
1336 1 10 . 1 1 31 31 GLN H H 31 8.572 8.572 8.103 0.469 18737
1337 1 10 . 1 1 32 32 ASP N N 32 119.468 119.468 119.186 0.282 18737
1338 1 10 . 1 1 32 32 ASP H H 32 8.052 8.052 7.723 0.329 18737
1339 1 10 . 1 1 33 33 LYS N N 33 115.157 115.157 119.333 -4.176 18737
1340 1 10 . 1 1 33 33 LYS H H 33 7.447 7.447 7.472 -0.025 18737
1341 1 10 . 1 1 34 34 GLU N N 34 113.856 113.856 117.861 -4.005 18737
1342 1 10 . 1 1 34 34 GLU H H 34 8.719 8.719 8.204 0.515 18737
1343 1 10 . 1 1 35 35 GLY N N 35 108.551 108.551 107.272 1.279 18737
1344 1 10 . 1 1 35 35 GLY H H 35 8.507 8.507 7.967 0.540 18737
1345 1 10 . 1 1 36 36 ILE N N 36 119.943 119.943 118.415 1.528 18737
1346 1 10 . 1 1 36 36 ILE H H 36 6.147 6.147 7.735 -1.588 18737
1347 1 10 . 1 1 39 39 ASP N N 39 113.228 113.228 115.348 -2.120 18737
1348 1 10 . 1 1 39 39 ASP H H 39 8.540 8.540 8.254 0.286 18737
1349 1 10 . 1 1 40 40 GLN N N 40 116.604 116.604 114.565 2.039 18737
1350 1 10 . 1 1 40 40 GLN H H 40 7.761 7.761 7.856 -0.095 18737
1351 1 10 . 1 1 41 41 GLN N N 41 117.236 117.236 119.215 -1.979 18737
1352 1 10 . 1 1 41 41 GLN H H 41 7.438 7.438 7.102 0.336 18737
1353 1 10 . 1 1 42 42 ARG N N 42 122.253 122.253 126.972 -4.719 18737
1354 1 10 . 1 1 42 42 ARG H H 42 8.381 8.381 8.275 0.106 18737
1355 1 10 . 1 1 43 43 LEU N N 43 123.939 123.939 127.692 -3.753 18737
1356 1 10 . 1 1 43 43 LEU H H 43 8.873 8.873 8.853 0.020 18737
1357 1 10 . 1 1 44 44 ILE N N 44 122.126 122.126 122.811 -0.685 18737
1358 1 10 . 1 1 44 44 ILE H H 44 9.147 9.147 8.724 0.423 18737
1359 1 10 . 1 1 45 45 PHE N N 45 125.527 125.527 127.005 -1.478 18737
1360 1 10 . 1 1 45 45 PHE H H 45 8.895 8.895 9.095 -0.200 18737
1361 1 10 . 1 1 46 46 ALA N N 46 132.646 132.646 129.450 3.196 18737
1362 1 10 . 1 1 46 46 ALA H H 46 9.033 9.033 8.578 0.455 18737
1363 1 10 . 1 1 47 47 GLY N N 47 102.802 102.802 103.105 -0.303 18737
1364 1 10 . 1 1 47 47 GLY H H 47 8.265 8.265 8.365 -0.100 18737
1365 1 10 . 1 1 48 48 LYS N N 48 121.141 121.141 122.088 -0.947 18737
1366 1 10 . 1 1 48 48 LYS H H 48 7.956 7.956 7.514 0.442 18737
1367 1 10 . 1 1 49 49 GLN N N 49 122.737 122.737 124.267 -1.530 18737
1368 1 10 . 1 1 49 49 GLN H H 49 8.693 8.693 8.580 0.113 18737
1369 1 10 . 1 1 50 50 LEU N N 50 125.580 125.580 128.460 -2.880 18737
1370 1 10 . 1 1 50 50 LEU H H 50 8.575 8.575 8.526 0.049 18737
1371 1 10 . 1 1 51 51 GLU N N 51 122.984 122.984 123.811 -0.827 18737
1372 1 10 . 1 1 51 51 GLU H H 51 8.406 8.406 8.315 0.091 18737
1373 1 10 . 1 1 52 52 ASP N N 52 120.142 120.142 125.672 -5.530 18737
1374 1 10 . 1 1 52 52 ASP H H 52 8.163 8.163 8.832 -0.669 18737
1375 1 10 . 1 1 53 53 GLY N N 53 108.221 108.221 103.700 4.521 18737
1376 1 10 . 1 1 53 53 GLY H H 53 8.290 8.290 8.487 -0.197 18737
1377 1 10 . 1 1 54 54 ARG N N 54 119.053 119.053 119.757 -0.704 18737
1378 1 10 . 1 1 54 54 ARG H H 54 7.487 7.487 7.858 -0.371 18737
1379 1 10 . 1 1 55 55 THR N N 55 108.479 108.479 109.848 -1.369 18737
1380 1 10 . 1 1 55 55 THR H H 55 8.833 8.833 8.623 0.210 18737
1381 1 10 . 1 1 56 56 LEU N N 56 117.731 117.731 121.998 -4.267 18737
1382 1 10 . 1 1 56 56 LEU H H 56 8.141 8.141 8.707 -0.566 18737
1383 1 10 . 1 1 57 57 SER N N 57 113.175 113.175 114.058 -0.883 18737
1384 1 10 . 1 1 57 57 SER H H 57 8.493 8.493 8.303 0.190 18737
1385 1 10 . 1 1 58 58 ASP N N 58 124.176 124.176 124.182 -0.006 18737
1386 1 10 . 1 1 58 58 ASP H H 58 7.937 7.937 8.306 -0.369 18737
1387 1 10 . 1 1 59 59 TYR N N 59 115.426 115.426 115.006 0.420 18737
1388 1 10 . 1 1 59 59 TYR H H 59 7.264 7.264 7.574 -0.310 18737
1389 1 10 . 1 1 60 60 ASN N N 60 115.641 115.641 115.054 0.587 18737
1390 1 10 . 1 1 60 60 ASN H H 60 8.155 8.155 7.765 0.390 18737
1391 1 10 . 1 1 61 61 ILE N N 61 118.537 118.537 121.585 -3.048 18737
1392 1 10 . 1 1 61 61 ILE H H 61 7.229 7.229 8.300 -1.071 18737
1393 1 10 . 1 1 62 62 GLN N N 62 124.612 124.612 126.376 -1.764 18737
1394 1 10 . 1 1 62 62 GLN H H 62 7.632 7.632 8.095 -0.463 18737
1395 1 10 . 1 1 63 63 LYS N N 63 120.190 120.190 117.957 2.233 18737
1396 1 10 . 1 1 63 63 LYS H H 63 8.495 8.495 8.252 0.243 18737
1397 1 10 . 1 1 64 64 GLU N N 64 114.252 114.252 116.842 -2.590 18737
1398 1 10 . 1 1 64 64 GLU H H 64 9.302 9.302 8.504 0.798 18737
1399 1 10 . 1 1 65 65 SER N N 65 114.586 114.586 112.872 1.714 18737
1400 1 10 . 1 1 65 65 SER H H 65 7.654 7.654 7.523 0.131 18737
1401 1 10 . 1 1 66 66 THR N N 66 117.176 117.176 118.925 -1.749 18737
1402 1 10 . 1 1 66 66 THR H H 66 8.735 8.735 8.469 0.266 18737
1403 1 10 . 1 1 67 67 LEU N N 67 127.152 127.152 129.801 -2.649 18737
1404 1 10 . 1 1 67 67 LEU H H 67 9.359 9.359 9.205 0.154 18737
1405 1 10 . 1 1 68 68 HIS N N 68 118.492 118.492 124.263 -5.771 18737
1406 1 10 . 1 1 68 68 HIS H H 68 9.111 9.111 8.715 0.396 18737
1407 1 10 . 1 1 69 69 LEU N N 69 125.249 125.249 131.623 -6.374 18737
1408 1 10 . 1 1 69 69 LEU H H 69 8.721 8.721 8.879 -0.158 18737
1409 1 10 . 1 1 70 70 VAL N N 70 126.564 126.564 124.547 2.017 18737
1410 1 10 . 1 1 70 70 VAL H H 70 9.191 9.191 9.142 0.049 18737
1411 1 10 . 1 1 71 71 LEU N N 71 123.127 123.127 120.740 2.387 18737
1412 1 10 . 1 1 71 71 LEU H H 71 8.065 8.065 8.091 -0.026 18737
1413 1 10 . 1 1 72 72 ARG N N 72 123.576 123.576 125.212 -1.636 18737
1414 1 10 . 1 1 72 72 ARG H H 72 8.737 8.737 8.486 0.252 18737
1415 1 10 . 1 1 73 73 LEU N N 73 123.544 123.544 118.010 5.534 18737
1416 1 10 . 1 1 73 73 LEU H H 73 8.288 8.288 7.849 0.439 18737
1417 1 10 . 1 1 74 74 ARG N N 74 121.620 121.620 126.109 -4.489 18737
1418 1 10 . 1 1 74 74 ARG H H 74 8.486 8.486 8.793 -0.307 18737
1419 1 10 . 1 1 75 75 GLY N N 75 109.865 109.865 108.674 1.191 18737
1420 1 10 . 1 1 75 75 GLY H H 75 8.479 8.479 8.342 0.137 18737
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 71 2.873 1.149 2.652 18737
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18737
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18737
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18737
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18737
6 1 1 "Average Difference" HN 71 0.515 -0.116 0.506 18737
7 1 2 "Average Difference" N 71 3.136 0.799 3.054 18737
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18737
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18737
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18737
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18737
12 1 2 "Average Difference" HN 71 0.556 -0.150 0.539 18737
13 1 3 "Average Difference" N 71 2.904 0.874 2.788 18737
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18737
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18737
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18737
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18737
18 1 3 "Average Difference" HN 71 0.522 -0.108 0.515 18737
19 1 4 "Average Difference" N 71 2.961 0.798 2.872 18737
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18737
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18737
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18737
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18737
24 1 4 "Average Difference" HN 71 0.500 -0.112 0.491 18737
25 1 5 "Average Difference" N 71 2.959 1.168 2.738 18737
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18737
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18737
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18737
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18737
30 1 5 "Average Difference" HN 71 0.487 -0.105 0.479 18737
31 1 6 "Average Difference" N 71 3.288 0.949 3.171 18737
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18737
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18737
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18737
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18737
36 1 6 "Average Difference" HN 71 0.501 -0.126 0.488 18737
37 1 7 "Average Difference" N 71 2.878 0.975 2.727 18737
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18737
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18737
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18737
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18737
42 1 7 "Average Difference" HN 71 0.492 -0.121 0.481 18737
43 1 8 "Average Difference" N 71 3.155 0.840 3.063 18737
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18737
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18737
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18737
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18737
48 1 8 "Average Difference" HN 71 0.509 -0.123 0.497 18737
49 1 9 "Average Difference" N 71 3.343 1.153 3.161 18737
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18737
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18737
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18737
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18737
54 1 9 "Average Difference" HN 71 0.449 -0.068 0.448 18737
55 1 10 "Average Difference" N 71 3.106 0.903 2.993 18737
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18737
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18737
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18737
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18737
60 1 10 "Average Difference" HN 71 0.473 -0.087 0.468 18737
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 18737
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLN N N 2 122.408 122.408 123.335 -0.927 18737
2 1 . 1 1 2 2 GLN H H 2 8.945 8.945 8.394 0.551 18737
3 1 . 1 1 3 3 ILE N N 3 114.615 114.615 115.308 -0.693 18737
4 1 . 1 1 3 3 ILE H H 3 8.299 8.299 8.203 0.096 18737
5 1 . 1 1 4 4 PHE N N 4 118.379 118.379 121.230 -2.851 18737
6 1 . 1 1 4 4 PHE H H 4 8.579 8.579 8.945 -0.366 18737
7 1 . 1 1 5 5 VAL N N 5 120.954 120.954 122.009 -1.055 18737
8 1 . 1 1 5 5 VAL H H 5 9.296 9.296 8.964 0.332 18737
9 1 . 1 1 6 6 LYS N N 6 127.447 127.447 128.834 -1.387 18737
10 1 . 1 1 6 6 LYS H H 6 8.879 8.879 8.477 0.402 18737
11 1 . 1 1 7 7 THR N N 7 115.299 115.299 115.914 -0.615 18737
12 1 . 1 1 7 7 THR H H 7 8.744 8.744 8.223 0.521 18737
13 1 . 1 1 8 8 LEU N N 8 120.685 120.685 120.742 -0.057 18737
14 1 . 1 1 8 8 LEU H H 8 9.034 9.034 8.829 0.205 18737
15 1 . 1 1 9 9 THR N N 9 105.749 105.749 109.960 -4.211 18737
16 1 . 1 1 9 9 THR H H 9 7.669 7.669 7.694 -0.025 18737
17 1 . 1 1 10 10 GLY N N 10 108.810 108.810 109.648 -0.838 18737
18 1 . 1 1 10 10 GLY H H 10 7.833 7.833 7.666 0.167 18737
19 1 . 1 1 11 11 LYS N N 11 121.383 121.383 122.189 -0.806 18737
20 1 . 1 1 11 11 LYS H H 11 7.259 7.259 7.803 -0.544 18737
21 1 . 1 1 12 12 THR N N 12 120.278 120.278 119.558 0.720 18737
22 1 . 1 1 12 12 THR H H 12 8.651 8.651 8.322 0.329 18737
23 1 . 1 1 13 13 ILE N N 13 127.477 127.477 124.477 3.000 18737
24 1 . 1 1 13 13 ILE H H 13 9.540 9.540 8.574 0.966 18737
25 1 . 1 1 14 14 THR N N 14 121.613 121.613 119.213 2.400 18737
26 1 . 1 1 14 14 THR H H 14 8.750 8.750 8.358 0.392 18737
27 1 . 1 1 15 15 LEU N N 15 124.946 124.946 124.978 -0.032 18737
28 1 . 1 1 15 15 LEU H H 15 8.729 8.729 8.567 0.162 18737
29 1 . 1 1 16 16 GLU N N 16 122.227 122.227 123.233 -1.006 18737
30 1 . 1 1 16 16 GLU H H 16 8.141 8.141 8.477 -0.336 18737
31 1 . 1 1 17 17 VAL N N 17 117.285 117.285 120.567 -3.282 18737
32 1 . 1 1 17 17 VAL H H 17 8.941 8.941 8.129 0.812 18737
33 1 . 1 1 18 18 GLU N N 18 118.997 118.997 123.795 -4.798 18737
34 1 . 1 1 18 18 GLU H H 18 8.659 8.659 8.451 0.208 18737
35 1 . 1 1 20 20 SER N N 20 103.080 103.080 110.987 -7.907 18737
36 1 . 1 1 20 20 SER H H 20 7.035 7.035 8.111 -1.076 18737
37 1 . 1 1 21 21 ASP N N 21 123.134 123.134 121.802 1.332 18737
38 1 . 1 1 21 21 ASP H H 21 8.003 8.003 7.531 0.472 18737
39 1 . 1 1 22 22 THR N N 22 108.684 108.684 114.815 -6.131 18737
40 1 . 1 1 22 22 THR H H 22 7.893 7.893 8.291 -0.398 18737
41 1 . 1 1 23 23 ILE N N 23 120.936 120.936 124.141 -3.205 18737
42 1 . 1 1 23 23 ILE H H 23 8.543 8.543 8.924 -0.381 18737
43 1 . 1 1 24 24 GLU N N 24 120.830 120.830 119.890 0.940 18737
44 1 . 1 1 24 24 GLU H H 24 9.760 9.760 8.276 1.484 18737
45 1 . 1 1 25 25 ASN N N 25 121.026 121.026 118.358 2.668 18737
46 1 . 1 1 25 25 ASN H H 25 7.927 7.927 7.630 0.297 18737
47 1 . 1 1 26 26 VAL N N 26 121.828 121.828 120.833 0.995 18737
48 1 . 1 1 26 26 VAL H H 26 8.103 8.103 8.128 -0.025 18737
49 1 . 1 1 27 27 LYS N N 27 118.641 118.641 119.336 -0.695 18737
50 1 . 1 1 27 27 LYS H H 27 8.577 8.577 8.123 0.454 18737
51 1 . 1 1 28 28 ALA N N 28 123.566 123.566 122.006 1.560 18737
52 1 . 1 1 28 28 ALA H H 28 8.055 8.055 7.667 0.388 18737
53 1 . 1 1 29 29 LYS N N 29 119.910 119.910 119.516 0.394 18737
54 1 . 1 1 29 29 LYS H H 29 7.873 7.873 7.675 0.198 18737
55 1 . 1 1 30 30 ILE N N 30 120.937 120.937 119.940 0.997 18737
56 1 . 1 1 30 30 ILE H H 30 8.262 8.262 8.234 0.028 18737
57 1 . 1 1 31 31 GLN N N 31 123.250 123.250 119.862 3.388 18737
58 1 . 1 1 31 31 GLN H H 31 8.572 8.572 8.131 0.441 18737
59 1 . 1 1 32 32 ASP N N 32 119.468 119.468 118.883 0.585 18737
60 1 . 1 1 32 32 ASP H H 32 8.052 8.052 7.741 0.311 18737
61 1 . 1 1 33 33 LYS N N 33 115.157 115.157 119.276 -4.119 18737
62 1 . 1 1 33 33 LYS H H 33 7.447 7.447 7.522 -0.075 18737
63 1 . 1 1 34 34 GLU N N 34 113.856 113.856 116.813 -2.957 18737
64 1 . 1 1 34 34 GLU H H 34 8.719 8.719 8.313 0.406 18737
65 1 . 1 1 35 35 GLY N N 35 108.551 108.551 107.606 0.945 18737
66 1 . 1 1 35 35 GLY H H 35 8.507 8.507 7.870 0.637 18737
67 1 . 1 1 36 36 ILE N N 36 119.943 119.943 120.438 -0.495 18737
68 1 . 1 1 36 36 ILE H H 36 6.147 6.147 7.544 -1.397 18737
69 1 . 1 1 39 39 ASP N N 39 113.228 113.228 115.591 -2.363 18737
70 1 . 1 1 39 39 ASP H H 39 8.540 8.540 8.554 -0.014 18737
71 1 . 1 1 40 40 GLN N N 40 116.604 116.604 116.178 0.426 18737
72 1 . 1 1 40 40 GLN H H 40 7.761 7.761 7.568 0.193 18737
73 1 . 1 1 41 41 GLN N N 41 117.236 117.236 119.717 -2.481 18737
74 1 . 1 1 41 41 GLN H H 41 7.438 7.438 7.236 0.202 18737
75 1 . 1 1 42 42 ARG N N 42 122.253 122.253 125.088 -2.835 18737
76 1 . 1 1 42 42 ARG H H 42 8.381 8.381 8.323 0.058 18737
77 1 . 1 1 43 43 LEU N N 43 123.939 123.939 126.980 -3.041 18737
78 1 . 1 1 43 43 LEU H H 43 8.873 8.873 8.762 0.111 18737
79 1 . 1 1 44 44 ILE N N 44 122.126 122.126 122.753 -0.627 18737
80 1 . 1 1 44 44 ILE H H 44 9.147 9.147 8.747 0.400 18737
81 1 . 1 1 45 45 PHE N N 45 125.527 125.527 127.402 -1.875 18737
82 1 . 1 1 45 45 PHE H H 45 8.895 8.895 8.916 -0.021 18737
83 1 . 1 1 46 46 ALA N N 46 132.646 132.646 129.432 3.214 18737
84 1 . 1 1 46 46 ALA H H 46 9.033 9.033 8.717 0.316 18737
85 1 . 1 1 47 47 GLY N N 47 102.802 102.802 102.675 0.127 18737
86 1 . 1 1 47 47 GLY H H 47 8.265 8.265 8.298 -0.033 18737
87 1 . 1 1 48 48 LYS N N 48 121.141 121.141 121.745 -0.604 18737
88 1 . 1 1 48 48 LYS H H 48 7.956 7.956 7.787 0.169 18737
89 1 . 1 1 49 49 GLN N N 49 122.737 122.737 121.624 1.113 18737
90 1 . 1 1 49 49 GLN H H 49 8.693 8.693 8.536 0.157 18737
91 1 . 1 1 50 50 LEU N N 50 125.580 125.580 125.165 0.415 18737
92 1 . 1 1 50 50 LEU H H 50 8.575 8.575 8.281 0.294 18737
93 1 . 1 1 51 51 GLU N N 51 122.984 122.984 123.804 -0.820 18737
94 1 . 1 1 51 51 GLU H H 51 8.406 8.406 8.231 0.175 18737
95 1 . 1 1 52 52 ASP N N 52 120.142 120.142 127.080 -6.938 18737
96 1 . 1 1 52 52 ASP H H 52 8.163 8.163 8.856 -0.693 18737
97 1 . 1 1 53 53 GLY N N 53 108.221 108.221 106.218 2.003 18737
98 1 . 1 1 53 53 GLY H H 53 8.290 8.290 8.226 0.064 18737
99 1 . 1 1 54 54 ARG N N 54 119.053 119.053 120.009 -0.956 18737
100 1 . 1 1 54 54 ARG H H 54 7.487 7.487 8.083 -0.596 18737
101 1 . 1 1 55 55 THR N N 55 108.479 108.479 111.663 -3.184 18737
102 1 . 1 1 55 55 THR H H 55 8.833 8.833 8.269 0.564 18737
103 1 . 1 1 56 56 LEU N N 56 117.731 117.731 122.708 -4.977 18737
104 1 . 1 1 56 56 LEU H H 56 8.141 8.141 8.678 -0.537 18737
105 1 . 1 1 57 57 SER N N 57 113.175 113.175 114.023 -0.848 18737
106 1 . 1 1 57 57 SER H H 57 8.493 8.493 8.136 0.357 18737
107 1 . 1 1 58 58 ASP N N 58 124.176 124.176 122.926 1.250 18737
108 1 . 1 1 58 58 ASP H H 58 7.937 7.937 8.163 -0.226 18737
109 1 . 1 1 59 59 TYR N N 59 115.426 115.426 115.491 -0.065 18737
110 1 . 1 1 59 59 TYR H H 59 7.264 7.264 7.554 -0.290 18737
111 1 . 1 1 60 60 ASN N N 60 115.641 115.641 115.953 -0.312 18737
112 1 . 1 1 60 60 ASN H H 60 8.155 8.155 7.703 0.452 18737
113 1 . 1 1 61 61 ILE N N 61 118.537 118.537 120.399 -1.862 18737
114 1 . 1 1 61 61 ILE H H 61 7.229 7.229 8.101 -0.872 18737
115 1 . 1 1 62 62 GLN N N 62 124.612 124.612 125.390 -0.778 18737
116 1 . 1 1 62 62 GLN H H 62 7.632 7.632 8.238 -0.606 18737
117 1 . 1 1 63 63 LYS N N 63 120.190 120.190 119.309 0.881 18737
118 1 . 1 1 63 63 LYS H H 63 8.495 8.495 8.411 0.084 18737
119 1 . 1 1 64 64 GLU N N 64 114.252 114.252 117.943 -3.691 18737
120 1 . 1 1 64 64 GLU H H 64 9.302 9.302 8.531 0.771 18737
121 1 . 1 1 65 65 SER N N 65 114.586 114.586 113.497 1.089 18737
122 1 . 1 1 65 65 SER H H 65 7.654 7.654 7.555 0.099 18737
123 1 . 1 1 66 66 THR N N 66 117.176 117.176 118.498 -1.322 18737
124 1 . 1 1 66 66 THR H H 66 8.735 8.735 8.610 0.125 18737
125 1 . 1 1 67 67 LEU N N 67 127.152 127.152 128.514 -1.362 18737
126 1 . 1 1 67 67 LEU H H 67 9.359 9.359 8.926 0.433 18737
127 1 . 1 1 68 68 HIS N N 68 118.492 118.492 124.591 -6.099 18737
128 1 . 1 1 68 68 HIS H H 68 9.111 9.111 8.663 0.448 18737
129 1 . 1 1 69 69 LEU N N 69 125.249 125.249 130.842 -5.593 18737
130 1 . 1 1 69 69 LEU H H 69 8.721 8.721 8.491 0.230 18737
131 1 . 1 1 70 70 VAL N N 70 126.564 126.564 125.276 1.288 18737
132 1 . 1 1 70 70 VAL H H 70 9.191 9.191 8.857 0.334 18737
133 1 . 1 1 71 71 LEU N N 71 123.127 123.127 124.230 -1.103 18737
134 1 . 1 1 71 71 LEU H H 71 8.065 8.065 8.339 -0.274 18737
135 1 . 1 1 72 72 ARG N N 72 123.576 123.576 123.970 -0.394 18737
136 1 . 1 1 72 72 ARG H H 72 8.737 8.737 8.451 0.286 18737
137 1 . 1 1 73 73 LEU N N 73 123.544 123.544 122.134 1.410 18737
138 1 . 1 1 73 73 LEU H H 73 8.288 8.288 8.426 -0.138 18737
139 1 . 1 1 74 74 ARG N N 74 121.620 121.620 122.026 -0.406 18737
140 1 . 1 1 74 74 ARG H H 74 8.486 8.486 8.390 0.096 18737
141 1 . 1 1 75 75 GLY N N 75 109.865 109.865 108.626 1.239 18737
142 1 . 1 1 75 75 GLY H H 75 8.479 8.479 8.314 0.165 18737
stop_
save_