data_19038 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19038 _Entry.PDB_ID 2M56 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 19038 _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 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 2 1 1 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 3 1 1 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 4 1 1 . 1 1 14 14 LEU H H 14 8.400 8.400 8.233 0.167 19038 5 1 1 . 1 1 17 17 HIS N N 17 111.900 111.900 115.148 -3.248 19038 6 1 1 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 7 1 1 . 1 1 18 18 VAL N N 18 127.700 127.700 123.312 4.388 19038 8 1 1 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 9 1 1 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 10 1 1 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 11 1 1 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 12 1 1 . 1 1 21 21 HIS H H 21 7.830 7.830 8.284 -0.454 19038 13 1 1 . 1 1 22 22 LEU N N 22 119.300 119.300 119.787 -0.487 19038 14 1 1 . 1 1 22 22 LEU H H 22 7.140 7.140 7.317 -0.177 19038 15 1 1 . 1 1 23 23 VAL N N 23 120.900 120.900 120.675 0.225 19038 16 1 1 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 17 1 1 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 18 1 1 . 1 1 24 24 PHE H H 24 9.200 9.200 8.817 0.383 19038 19 1 1 . 1 1 25 25 ASP N N 25 126.600 126.600 129.535 -2.935 19038 20 1 1 . 1 1 25 25 ASP H H 25 8.100 8.100 8.387 -0.287 19038 21 1 1 . 1 1 26 26 PHE N N 26 125.200 125.200 123.457 1.743 19038 22 1 1 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 23 1 1 . 1 1 27 27 ASP N N 27 133.400 133.400 128.831 4.569 19038 24 1 1 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 25 1 1 . 1 1 30 30 ASN N N 30 116.600 116.600 117.240 -0.640 19038 26 1 1 . 1 1 30 30 ASN H H 30 6.670 6.670 7.371 -0.701 19038 27 1 1 . 1 1 34 34 LEU N N 34 120.200 120.200 122.730 -2.530 19038 28 1 1 . 1 1 34 34 LEU H H 34 7.180 7.180 7.518 -0.338 19038 29 1 1 . 1 1 35 35 SER N N 35 114.900 114.900 114.914 -0.014 19038 30 1 1 . 1 1 35 35 SER H H 35 8.540 8.540 8.540 0.000 19038 31 1 1 . 1 1 36 36 ALA N N 36 124.900 124.900 123.015 1.885 19038 32 1 1 . 1 1 36 36 ALA H H 36 7.770 7.770 7.352 0.418 19038 33 1 1 . 1 1 37 37 GLY N N 37 110.000 110.000 105.257 4.743 19038 34 1 1 . 1 1 37 37 GLY H H 37 7.370 7.370 7.336 0.034 19038 35 1 1 . 1 1 39 39 GLN N N 39 122.900 122.900 117.732 5.168 19038 36 1 1 . 1 1 39 39 GLN H H 39 7.700 7.700 8.935 -1.235 19038 37 1 1 . 1 1 40 40 GLU N N 40 121.500 121.500 119.584 1.916 19038 38 1 1 . 1 1 40 40 GLU H H 40 9.850 9.850 8.292 1.558 19038 39 1 1 . 1 1 44 44 VAL N N 44 120.000 120.000 116.709 3.291 19038 40 1 1 . 1 1 44 44 VAL H H 44 7.090 7.090 7.490 -0.400 19038 41 1 1 . 1 1 46 46 GLN N N 46 112.500 112.500 114.750 -2.250 19038 42 1 1 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 43 1 1 . 1 1 47 47 GLU N N 47 121.500 121.500 121.537 -0.037 19038 44 1 1 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 45 1 1 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 46 1 1 . 1 1 48 48 SER H H 48 8.560 8.560 8.813 -0.253 19038 47 1 1 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 48 1 1 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 49 1 1 . 1 1 50 50 VAL N N 50 126.200 126.200 123.637 2.563 19038 50 1 1 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 51 1 1 . 1 1 52 52 ASP N N 52 118.000 118.000 117.605 0.395 19038 52 1 1 . 1 1 52 52 ASP H H 52 8.040 8.040 8.467 -0.427 19038 53 1 1 . 1 1 54 54 VAL N N 54 114.000 114.000 120.506 -6.506 19038 54 1 1 . 1 1 54 54 VAL H H 54 8.530 8.530 8.028 0.502 19038 55 1 1 . 1 1 55 55 TRP N N 55 123.300 123.300 123.110 0.190 19038 56 1 1 . 1 1 55 55 TRP H H 55 8.920 8.920 9.314 -0.394 19038 57 1 1 . 1 1 56 56 THR N N 56 120.300 120.300 122.419 -2.119 19038 58 1 1 . 1 1 56 56 THR H H 56 7.860 7.860 7.846 0.014 19038 59 1 1 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 60 1 1 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 61 1 1 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 62 1 1 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 63 1 1 . 1 1 61 61 GLY N N 61 112.200 112.200 110.004 2.196 19038 64 1 1 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 65 1 1 . 1 1 62 62 HIS N N 62 121.900 121.900 115.745 6.155 19038 66 1 1 . 1 1 62 62 HIS H H 62 7.100 7.100 6.852 0.248 19038 67 1 1 . 1 1 64 64 ILE N N 64 126.000 126.000 119.881 6.119 19038 68 1 1 . 1 1 64 64 ILE H H 64 10.360 10.360 8.943 1.417 19038 69 1 1 . 1 1 65 65 ALA N N 65 128.900 128.900 131.122 -2.222 19038 70 1 1 . 1 1 65 65 ALA H H 65 7.840 7.840 8.114 -0.274 19038 71 1 1 . 1 1 66 66 THR N N 66 109.300 109.300 115.553 -6.253 19038 72 1 1 . 1 1 66 66 THR H H 66 8.600 8.600 8.641 -0.041 19038 73 1 1 . 1 1 67 67 ARG N N 67 115.000 115.000 120.515 -5.515 19038 74 1 1 . 1 1 67 67 ARG H H 67 6.420 6.420 7.297 -0.877 19038 75 1 1 . 1 1 68 68 GLY N N 68 112.600 112.600 109.937 2.663 19038 76 1 1 . 1 1 68 68 GLY H H 68 10.340 10.340 9.268 1.072 19038 77 1 1 . 1 1 69 69 GLN N N 69 120.100 120.100 121.292 -1.192 19038 78 1 1 . 1 1 69 69 GLN H H 69 8.910 8.910 8.224 0.686 19038 79 1 1 . 1 1 70 70 LEU N N 70 117.400 117.400 119.223 -1.823 19038 80 1 1 . 1 1 70 70 LEU H H 70 6.410 6.410 7.836 -1.426 19038 81 1 1 . 1 1 73 73 GLU N N 73 115.100 115.100 119.977 -4.877 19038 82 1 1 . 1 1 73 73 GLU H H 73 7.780 7.780 7.850 -0.070 19038 83 1 1 . 1 1 74 74 ALA N N 74 121.500 121.500 121.390 0.110 19038 84 1 1 . 1 1 74 74 ALA H H 74 8.150 8.150 7.744 0.406 19038 85 1 1 . 1 1 78 78 TYR N N 78 121.800 121.800 122.681 -0.881 19038 86 1 1 . 1 1 78 78 TYR H H 78 7.350 7.350 7.667 -0.317 19038 87 1 1 . 1 1 83 83 SER N N 83 127.400 127.400 121.935 5.465 19038 88 1 1 . 1 1 83 83 SER H H 83 9.970 9.970 9.391 0.579 19038 89 1 1 . 1 1 85 85 CYS N N 85 111.600 111.600 116.956 -5.356 19038 90 1 1 . 1 1 85 85 CYS H H 85 5.690 5.690 7.943 -2.253 19038 91 1 1 . 1 1 90 90 ARG N N 90 124.800 124.800 127.216 -2.416 19038 92 1 1 . 1 1 90 90 ARG H H 90 9.410 9.410 8.821 0.589 19038 93 1 1 . 1 1 91 91 GLU N N 91 116.300 116.300 116.131 0.169 19038 94 1 1 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 95 1 1 . 1 1 92 92 ALA N N 92 123.600 123.600 122.330 1.270 19038 96 1 1 . 1 1 92 92 ALA H H 92 7.120 7.120 8.612 -1.492 19038 97 1 1 . 1 1 93 93 GLY N N 93 104.600 104.600 106.352 -1.752 19038 98 1 1 . 1 1 93 93 GLY H H 93 7.350 7.350 7.723 -0.373 19038 99 1 1 . 1 1 95 95 ALA N N 95 120.400 120.400 121.641 -1.241 19038 100 1 1 . 1 1 95 95 ALA H H 95 6.820 6.820 7.485 -0.665 19038 101 1 1 . 1 1 96 96 TYR N N 96 121.800 121.800 120.714 1.086 19038 102 1 1 . 1 1 96 96 TYR H H 96 7.300 7.300 7.414 -0.114 19038 103 1 1 . 1 1 107 107 GLU N N 107 128.200 128.200 118.874 9.326 19038 104 1 1 . 1 1 107 107 GLU H H 107 8.760 8.760 8.403 0.357 19038 105 1 1 . 1 1 109 109 ARG N N 109 119.400 119.400 119.049 0.351 19038 106 1 1 . 1 1 109 109 ARG H H 109 7.590 7.590 8.154 -0.564 19038 107 1 1 . 1 1 111 111 PHE N N 111 118.100 118.100 117.807 0.293 19038 108 1 1 . 1 1 111 111 PHE H H 111 7.130 7.130 7.738 -0.608 19038 109 1 1 . 1 1 126 126 LYS N N 126 119.200 119.200 120.309 -1.109 19038 110 1 1 . 1 1 126 126 LYS H H 126 7.220 7.220 7.458 -0.238 19038 111 1 1 . 1 1 130 130 ARG N N 130 121.500 121.500 119.671 1.829 19038 112 1 1 . 1 1 130 130 ARG H H 130 7.790 7.790 8.245 -0.455 19038 113 1 1 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 114 1 1 . 1 1 137 137 SER H H 137 8.320 8.320 8.247 0.073 19038 115 1 1 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 116 1 1 . 1 1 140 140 GLU H H 140 8.590 8.590 8.079 0.511 19038 117 1 1 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 118 1 1 . 1 1 141 141 SER H H 141 7.480 7.480 7.876 -0.396 19038 119 1 1 . 1 1 145 145 GLN N N 145 114.300 114.300 118.178 -3.878 19038 120 1 1 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 121 1 1 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 122 1 1 . 1 1 146 146 GLY H H 146 6.490 6.490 7.891 -1.401 19038 123 1 1 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 124 1 1 . 1 1 147 147 GLN H H 147 5.880 5.880 6.832 -0.952 19038 125 1 1 . 1 1 148 148 CYS N N 148 110.800 110.800 115.356 -4.556 19038 126 1 1 . 1 1 148 148 CYS H H 148 8.230 8.230 8.540 -0.310 19038 127 1 1 . 1 1 149 149 ASN N N 149 120.100 120.100 121.072 -0.972 19038 128 1 1 . 1 1 149 149 ASN H H 149 9.130 9.130 9.072 0.058 19038 129 1 1 . 1 1 150 150 PHE N N 150 124.300 124.300 125.442 -1.142 19038 130 1 1 . 1 1 150 150 PHE H H 150 9.280 9.280 8.072 1.208 19038 131 1 1 . 1 1 151 151 THR N N 151 109.000 109.000 110.571 -1.571 19038 132 1 1 . 1 1 151 151 THR H H 151 7.180 7.180 8.224 -1.044 19038 133 1 1 . 1 1 152 152 GLU N N 152 119.000 119.000 120.517 -1.517 19038 134 1 1 . 1 1 152 152 GLU H H 152 6.250 6.250 7.789 -1.539 19038 135 1 1 . 1 1 153 153 ASP N N 153 115.000 115.000 117.732 -2.732 19038 136 1 1 . 1 1 153 153 ASP H H 153 8.580 8.580 8.368 0.212 19038 137 1 1 . 1 1 154 154 TYR N N 154 116.500 116.500 118.351 -1.851 19038 138 1 1 . 1 1 154 154 TYR H H 154 7.160 7.160 7.634 -0.474 19038 139 1 1 . 1 1 156 156 GLU N N 156 106.900 106.900 117.005 -10.105 19038 140 1 1 . 1 1 156 156 GLU H H 156 7.570 7.570 7.724 -0.154 19038 141 1 1 . 1 1 163 163 PHE N N 163 121.800 121.800 121.925 -0.125 19038 142 1 1 . 1 1 163 163 PHE H H 163 7.950 7.950 7.469 0.481 19038 143 1 1 . 1 1 168 168 GLY N N 168 109.500 109.500 106.298 3.202 19038 144 1 1 . 1 1 168 168 GLY H H 168 7.900 7.900 7.560 0.340 19038 145 1 1 . 1 1 169 169 LEU N N 169 122.800 122.800 119.996 2.804 19038 146 1 1 . 1 1 169 169 LEU H H 169 8.490 8.490 8.078 0.412 19038 147 1 1 . 1 1 171 171 GLU N N 171 123.500 123.500 123.464 0.036 19038 148 1 1 . 1 1 171 171 GLU H H 171 8.790 8.790 9.025 -0.235 19038 149 1 1 . 1 1 172 172 GLU N N 172 120.500 120.500 118.333 2.167 19038 150 1 1 . 1 1 172 172 GLU H H 172 9.410 9.410 8.556 0.854 19038 151 1 1 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 152 1 1 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 153 1 1 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 154 1 1 . 1 1 193 193 PHE H H 193 8.550 8.550 8.643 -0.093 19038 155 1 1 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 156 1 1 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 157 1 1 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 158 1 1 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 159 1 1 . 1 1 200 200 LEU N N 200 124.400 124.400 120.126 4.274 19038 160 1 1 . 1 1 200 200 LEU H H 200 7.850 7.850 7.636 0.214 19038 161 1 1 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 162 1 1 . 1 1 207 207 ILE H H 207 6.540 6.540 7.009 -0.469 19038 163 1 1 . 1 1 209 209 GLU N N 209 117.200 117.200 119.667 -2.467 19038 164 1 1 . 1 1 209 209 GLU H H 209 7.690 7.690 7.683 0.007 19038 165 1 1 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 166 1 1 . 1 1 214 214 LYS H H 214 8.040 8.040 8.149 -0.108 19038 167 1 1 . 1 1 216 216 GLY N N 216 111.500 111.500 111.371 0.129 19038 168 1 1 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 169 1 1 . 1 1 219 219 ALA N N 219 118.900 118.900 121.638 -2.738 19038 170 1 1 . 1 1 219 219 ALA H H 219 8.540 8.540 8.407 0.133 19038 171 1 1 . 1 1 223 223 VAL N N 223 119.500 119.500 118.866 0.634 19038 172 1 1 . 1 1 223 223 VAL H H 223 7.900 7.900 8.133 -0.233 19038 173 1 1 . 1 1 224 224 ALA N N 224 116.800 116.800 122.674 -5.874 19038 174 1 1 . 1 1 224 224 ALA H H 224 9.020 9.020 8.370 0.650 19038 175 1 1 . 1 1 226 226 GLY N N 226 110.200 110.200 107.968 2.232 19038 176 1 1 . 1 1 226 226 GLY H H 226 7.700 7.700 7.409 0.291 19038 177 1 1 . 1 1 227 227 GLN N N 227 118.700 118.700 118.277 0.423 19038 178 1 1 . 1 1 227 227 GLN H H 227 8.170 8.170 8.352 -0.182 19038 179 1 1 . 1 1 228 228 VAL N N 228 117.900 117.900 118.754 -0.854 19038 180 1 1 . 1 1 228 228 VAL H H 228 8.900 8.900 8.987 -0.087 19038 181 1 1 . 1 1 229 229 ASN N N 229 121.900 121.900 126.718 -4.818 19038 182 1 1 . 1 1 229 229 ASN H H 229 8.900 8.900 9.140 -0.240 19038 183 1 1 . 1 1 230 230 GLY N N 230 103.600 103.600 101.881 1.719 19038 184 1 1 . 1 1 230 230 GLY H H 230 8.580 8.580 8.391 0.189 19038 185 1 1 . 1 1 231 231 ARG N N 231 119.300 119.300 120.014 -0.714 19038 186 1 1 . 1 1 231 231 ARG H H 231 7.950 7.950 7.593 0.357 19038 187 1 1 . 1 1 233 233 ILE N N 233 127.400 127.400 127.439 -0.039 19038 188 1 1 . 1 1 233 233 ILE H H 233 8.250 8.250 8.356 -0.106 19038 189 1 1 . 1 1 238 238 ALA N N 238 119.900 119.900 122.098 -2.198 19038 190 1 1 . 1 1 238 238 ALA H H 238 8.610 8.610 8.165 0.445 19038 191 1 1 . 1 1 239 239 LYS N N 239 122.500 122.500 118.694 3.806 19038 192 1 1 . 1 1 239 239 LYS H H 239 8.180 8.180 7.958 0.222 19038 193 1 1 . 1 1 241 241 MET N N 241 120.400 120.400 120.699 -0.299 19038 194 1 1 . 1 1 241 241 MET H H 241 8.140 8.140 7.912 0.228 19038 195 1 1 . 1 1 243 243 GLY N N 243 106.400 106.400 107.916 -1.516 19038 196 1 1 . 1 1 243 243 GLY H H 243 8.740 8.740 8.206 0.534 19038 197 1 1 . 1 1 254 254 VAL N N 254 118.500 118.500 119.148 -0.648 19038 198 1 1 . 1 1 254 254 VAL H H 254 7.060 7.060 8.403 -1.343 19038 199 1 1 . 1 1 260 260 SER N N 260 109.100 109.100 114.983 -5.883 19038 200 1 1 . 1 1 260 260 SER H H 260 7.030 7.030 7.722 -0.692 19038 201 1 1 . 1 1 261 261 MET N N 261 118.900 118.900 119.926 -1.026 19038 202 1 1 . 1 1 261 261 MET H H 261 6.470 6.470 7.988 -1.518 19038 203 1 1 . 1 1 266 266 LYS N N 266 116.400 116.400 116.353 0.047 19038 204 1 1 . 1 1 266 266 LYS H H 266 7.260 7.260 7.286 -0.026 19038 205 1 1 . 1 1 267 267 SER N N 267 114.800 114.800 114.610 0.190 19038 206 1 1 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 207 1 1 . 1 1 269 269 GLU N N 269 117.700 117.700 118.986 -1.286 19038 208 1 1 . 1 1 269 269 GLU H H 269 8.990 8.990 8.587 0.403 19038 209 1 1 . 1 1 271 271 ARG N N 271 117.900 117.900 119.297 -1.397 19038 210 1 1 . 1 1 271 271 ARG H H 271 7.550 7.550 7.740 -0.190 19038 211 1 1 . 1 1 273 273 GLU N N 273 119.200 119.200 120.704 -1.504 19038 212 1 1 . 1 1 273 273 GLU H H 273 7.470 7.470 7.793 -0.323 19038 213 1 1 . 1 1 274 274 LEU N N 274 115.700 115.700 118.592 -2.892 19038 214 1 1 . 1 1 274 274 LEU H H 274 6.990 6.990 7.676 -0.686 19038 215 1 1 . 1 1 275 275 ILE N N 275 122.000 122.000 118.920 3.080 19038 216 1 1 . 1 1 275 275 ILE H H 275 7.570 7.570 7.924 -0.354 19038 217 1 1 . 1 1 276 276 GLN N N 276 116.600 116.600 118.765 -2.165 19038 218 1 1 . 1 1 276 276 GLN H H 276 7.500 7.500 8.035 -0.535 19038 219 1 1 . 1 1 279 279 GLU N N 279 122.500 122.500 117.603 4.897 19038 220 1 1 . 1 1 279 279 GLU H H 279 10.010 10.010 8.854 1.156 19038 221 1 1 . 1 1 280 280 ARG N N 280 121.300 121.300 118.237 3.063 19038 222 1 1 . 1 1 280 280 ARG H H 280 8.500 8.500 7.472 1.028 19038 223 1 1 . 1 1 284 284 ALA N N 284 123.100 123.100 121.706 1.394 19038 224 1 1 . 1 1 284 284 ALA H H 284 8.510 8.510 8.261 0.249 19038 225 1 1 . 1 1 291 291 ARG N N 291 119.500 119.500 120.788 -1.288 19038 226 1 1 . 1 1 291 291 ARG H H 291 8.210 8.210 7.811 0.399 19038 227 1 1 . 1 1 292 292 PHE N N 292 115.500 115.500 117.231 -1.731 19038 228 1 1 . 1 1 292 292 PHE H H 292 8.570 8.570 7.763 0.807 19038 229 1 1 . 1 1 293 293 SER N N 293 110.600 110.600 115.909 -5.309 19038 230 1 1 . 1 1 293 293 SER H H 293 5.950 5.950 7.385 -1.435 19038 231 1 1 . 1 1 299 299 ARG N N 299 117.700 117.700 117.338 0.362 19038 232 1 1 . 1 1 299 299 ARG H H 299 8.260 8.260 8.290 -0.030 19038 233 1 1 . 1 1 300 300 ILE N N 300 122.000 122.000 120.209 1.791 19038 234 1 1 . 1 1 300 300 ILE H H 300 9.560 9.560 8.443 1.117 19038 235 1 1 . 1 1 301 301 LEU N N 301 131.900 131.900 128.509 3.391 19038 236 1 1 . 1 1 301 301 LEU H H 301 8.800 8.800 8.939 -0.139 19038 237 1 1 . 1 1 302 302 THR N N 302 116.800 116.800 116.146 0.654 19038 238 1 1 . 1 1 302 302 THR H H 302 8.680 8.680 8.818 -0.138 19038 239 1 1 . 1 1 303 303 SER N N 303 112.900 112.900 115.374 -2.474 19038 240 1 1 . 1 1 303 303 SER H H 303 7.500 7.500 7.486 0.014 19038 241 1 1 . 1 1 304 304 ASP N N 304 121.800 121.800 121.111 0.689 19038 242 1 1 . 1 1 304 304 ASP H H 304 8.500 8.500 8.590 -0.090 19038 243 1 1 . 1 1 305 305 TYR N N 305 126.500 126.500 123.410 3.090 19038 244 1 1 . 1 1 305 305 TYR H H 305 8.390 8.390 8.488 -0.097 19038 245 1 1 . 1 1 306 306 GLU N N 306 130.500 130.500 128.993 1.507 19038 246 1 1 . 1 1 306 306 GLU H H 306 7.720 7.720 8.319 -0.599 19038 247 1 1 . 1 1 307 307 PHE N N 307 130.200 130.200 128.930 1.270 19038 248 1 1 . 1 1 307 307 PHE H H 307 8.480 8.480 8.630 -0.150 19038 249 1 1 . 1 1 308 308 HIS N N 308 124.200 124.200 126.286 -2.086 19038 250 1 1 . 1 1 308 308 HIS H H 308 8.980 8.980 8.834 0.146 19038 251 1 1 . 1 1 309 309 GLY N N 309 102.900 102.900 103.447 -0.547 19038 252 1 1 . 1 1 309 309 GLY H H 309 8.360 8.360 8.225 0.135 19038 253 1 1 . 1 1 310 310 VAL N N 310 124.100 124.100 121.335 2.765 19038 254 1 1 . 1 1 310 310 VAL H H 310 7.500 7.500 7.248 0.252 19038 255 1 1 . 1 1 311 311 GLN N N 311 126.400 126.400 125.161 1.239 19038 256 1 1 . 1 1 311 311 GLN H H 311 8.400 8.400 8.594 -0.194 19038 257 1 1 . 1 1 312 312 LEU N N 312 128.800 128.800 126.150 2.650 19038 258 1 1 . 1 1 312 312 LEU H H 312 8.630 8.630 8.379 0.251 19038 259 1 1 . 1 1 313 313 LYS N N 313 125.100 125.100 121.584 3.516 19038 260 1 1 . 1 1 313 313 LYS H H 313 8.550 8.550 8.958 -0.408 19038 261 1 1 . 1 1 314 314 LYS N N 314 122.300 122.300 126.445 -4.145 19038 262 1 1 . 1 1 314 314 LYS H H 314 8.730 8.730 8.917 -0.187 19038 263 1 1 . 1 1 315 315 GLY N N 315 117.700 117.700 115.306 2.394 19038 264 1 1 . 1 1 315 315 GLY H H 315 8.590 8.590 9.018 -0.428 19038 265 1 1 . 1 1 316 316 ASP N N 316 123.100 123.100 123.051 0.049 19038 266 1 1 . 1 1 316 316 ASP H H 316 8.960 8.960 8.351 0.609 19038 267 1 1 . 1 1 317 317 GLN N N 317 119.300 119.300 121.615 -2.315 19038 268 1 1 . 1 1 317 317 GLN H H 317 9.500 9.500 9.018 0.482 19038 269 1 1 . 1 1 319 319 LEU N N 319 131.600 131.600 130.551 1.049 19038 270 1 1 . 1 1 319 319 LEU H H 319 9.090 9.090 9.203 -0.113 19038 271 1 1 . 1 1 320 320 LEU N N 320 132.200 132.200 128.700 3.500 19038 272 1 1 . 1 1 320 320 LEU H H 320 8.860 8.860 7.953 0.907 19038 273 1 1 . 1 1 323 323 MET N N 323 113.300 113.300 119.683 -6.383 19038 274 1 1 . 1 1 323 323 MET H H 323 7.600 7.600 7.462 0.138 19038 275 1 1 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 276 1 1 . 1 1 329 329 GLU H H 329 9.520 9.520 8.849 0.671 19038 277 1 1 . 1 1 330 330 ARG N N 330 119.300 119.300 117.081 2.219 19038 278 1 1 . 1 1 330 330 ARG H H 330 8.630 8.630 8.139 0.491 19038 279 1 1 . 1 1 332 332 ASN N N 332 117.000 117.000 117.473 -0.473 19038 280 1 1 . 1 1 332 332 ASN H H 332 7.830 7.830 8.161 -0.331 19038 281 1 1 . 1 1 333 333 ALA N N 333 124.700 124.700 125.332 -0.632 19038 282 1 1 . 1 1 333 333 ALA H H 333 8.510 8.510 8.606 -0.096 19038 283 1 1 . 1 1 334 334 CYS N N 334 123.200 123.200 118.643 4.557 19038 284 1 1 . 1 1 334 334 CYS H H 334 9.200 9.200 9.219 -0.019 19038 285 1 1 . 1 1 336 336 MET N N 336 116.200 116.200 114.139 2.061 19038 286 1 1 . 1 1 336 336 MET H H 336 8.750 8.750 8.065 0.685 19038 287 1 1 . 1 1 338 338 VAL N N 338 127.100 127.100 127.598 -0.498 19038 288 1 1 . 1 1 338 338 VAL H H 338 8.060 8.060 8.167 -0.107 19038 289 1 1 . 1 1 339 339 ASP N N 339 131.600 131.600 127.710 3.890 19038 290 1 1 . 1 1 339 339 ASP H H 339 10.090 10.090 8.843 1.247 19038 291 1 1 . 1 1 340 340 PHE N N 340 124.800 124.800 124.437 0.363 19038 292 1 1 . 1 1 340 340 PHE H H 340 9.520 9.520 8.735 0.785 19038 293 1 1 . 1 1 341 341 SER N N 341 116.500 116.500 112.023 4.477 19038 294 1 1 . 1 1 341 341 SER H H 341 8.670 8.670 7.939 0.731 19038 295 1 1 . 1 1 342 342 ARG N N 342 124.700 124.700 123.043 1.657 19038 296 1 1 . 1 1 342 342 ARG H H 342 7.170 7.170 7.543 -0.373 19038 297 1 1 . 1 1 347 347 HIS N N 347 121.900 121.900 120.811 1.089 19038 298 1 1 . 1 1 347 347 HIS H H 347 8.190 8.190 8.340 -0.150 19038 299 1 1 . 1 1 356 356 LEU N N 356 119.400 119.400 121.865 -2.465 19038 300 1 1 . 1 1 356 356 LEU H H 356 6.890 6.890 7.494 -0.604 19038 301 1 1 . 1 1 360 360 GLN N N 360 118.500 118.500 119.576 -1.076 19038 302 1 1 . 1 1 360 360 GLN H H 360 8.690 8.690 7.416 1.274 19038 303 1 1 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 304 1 1 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 305 1 1 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 306 1 1 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 307 1 1 . 1 1 382 382 SER N N 382 111.600 111.600 114.343 -2.743 19038 308 1 1 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 309 1 1 . 1 1 384 384 ALA N N 384 132.000 132.000 130.854 1.146 19038 310 1 1 . 1 1 384 384 ALA H H 384 8.150 8.150 8.636 -0.486 19038 311 1 1 . 1 1 387 387 ALA N N 387 124.100 124.100 123.897 0.203 19038 312 1 1 . 1 1 387 387 ALA H H 387 7.580 7.580 7.667 -0.087 19038 313 1 1 . 1 1 388 388 GLN N N 388 123.000 123.000 121.728 1.272 19038 314 1 1 . 1 1 388 388 GLN H H 388 8.410 8.410 8.486 -0.076 19038 315 1 1 . 1 1 389 389 ILE N N 389 127.100 127.100 124.738 2.362 19038 316 1 1 . 1 1 389 389 ILE H H 389 8.580 8.580 8.524 0.056 19038 317 1 1 . 1 1 390 390 GLN N N 390 130.000 130.000 126.536 3.464 19038 318 1 1 . 1 1 390 390 GLN H H 390 9.520 9.520 8.785 0.735 19038 319 1 1 . 1 1 391 391 HIS N N 391 125.800 125.800 121.397 4.403 19038 320 1 1 . 1 1 391 391 HIS H H 391 9.010 9.010 8.652 0.358 19038 321 1 1 . 1 1 392 392 LYS N N 392 119.200 119.200 119.577 -0.377 19038 322 1 1 . 1 1 392 392 LYS H H 392 8.890 8.890 8.890 -0.000 19038 323 1 1 . 1 1 394 394 GLY N N 394 110.200 110.200 108.858 1.342 19038 324 1 1 . 1 1 394 394 GLY H H 394 6.690 6.690 7.966 -1.276 19038 325 1 1 . 1 1 395 395 ILE N N 395 125.600 125.600 120.779 4.821 19038 326 1 1 . 1 1 395 395 ILE H H 395 8.330 8.330 8.016 0.314 19038 327 1 1 . 1 1 398 398 GLY N N 398 103.000 103.000 107.678 -4.678 19038 328 1 1 . 1 1 398 398 GLY H H 398 8.500 8.500 8.443 0.057 19038 329 1 1 . 1 1 400 400 GLN N N 400 126.200 126.200 126.265 -0.065 19038 330 1 1 . 1 1 400 400 GLN H H 400 8.900 8.900 8.838 0.062 19038 331 1 1 . 1 1 401 401 ALA N N 401 117.600 117.600 117.668 -0.068 19038 332 1 1 . 1 1 401 401 ALA H H 401 7.290 7.290 7.810 -0.520 19038 333 1 1 . 1 1 402 402 LEU N N 402 119.900 119.900 121.745 -1.845 19038 334 1 1 . 1 1 402 402 LEU H H 402 8.620 8.620 8.610 0.010 19038 335 1 1 . 1 1 405 405 VAL N N 405 114.400 114.400 113.898 0.502 19038 336 1 1 . 1 1 405 405 VAL H H 405 9.210 9.210 9.015 0.195 19038 337 1 1 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 338 1 1 . 1 1 409 409 ALA H H 409 8.630 8.630 7.881 0.749 19038 339 1 1 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 340 1 1 . 1 1 410 410 THR H H 410 8.120 8.120 7.857 0.263 19038 341 1 1 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 342 1 1 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 343 1 1 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 344 1 1 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 345 1 1 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 346 1 1 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 347 1 2 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 348 1 2 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 349 1 2 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 350 1 2 . 1 1 14 14 LEU H H 14 8.400 8.400 8.233 0.167 19038 351 1 2 . 1 1 17 17 HIS N N 17 111.900 111.900 115.148 -3.248 19038 352 1 2 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 353 1 2 . 1 1 18 18 VAL N N 18 127.700 127.700 123.312 4.388 19038 354 1 2 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 355 1 2 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 356 1 2 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 357 1 2 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 358 1 2 . 1 1 21 21 HIS H H 21 7.830 7.830 8.284 -0.454 19038 359 1 2 . 1 1 22 22 LEU N N 22 119.300 119.300 119.787 -0.487 19038 360 1 2 . 1 1 22 22 LEU H H 22 7.140 7.140 7.317 -0.177 19038 361 1 2 . 1 1 23 23 VAL N N 23 120.900 120.900 120.675 0.225 19038 362 1 2 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 363 1 2 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 364 1 2 . 1 1 24 24 PHE H H 24 9.200 9.200 8.817 0.383 19038 365 1 2 . 1 1 25 25 ASP N N 25 126.600 126.600 129.536 -2.936 19038 366 1 2 . 1 1 25 25 ASP H H 25 8.100 8.100 8.387 -0.287 19038 367 1 2 . 1 1 26 26 PHE N N 26 125.200 125.200 123.457 1.743 19038 368 1 2 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 369 1 2 . 1 1 27 27 ASP N N 27 133.400 133.400 128.831 4.569 19038 370 1 2 . 1 1 27 27 ASP H H 27 8.070 8.070 8.211 -0.141 19038 371 1 2 . 1 1 30 30 ASN N N 30 116.600 116.600 117.240 -0.640 19038 372 1 2 . 1 1 30 30 ASN H H 30 6.670 6.670 7.370 -0.700 19038 373 1 2 . 1 1 34 34 LEU N N 34 120.200 120.200 122.730 -2.530 19038 374 1 2 . 1 1 34 34 LEU H H 34 7.180 7.180 7.518 -0.338 19038 375 1 2 . 1 1 35 35 SER N N 35 114.900 114.900 114.914 -0.014 19038 376 1 2 . 1 1 35 35 SER H H 35 8.540 8.540 8.540 0.000 19038 377 1 2 . 1 1 36 36 ALA N N 36 124.900 124.900 123.015 1.885 19038 378 1 2 . 1 1 36 36 ALA H H 36 7.770 7.770 7.352 0.418 19038 379 1 2 . 1 1 37 37 GLY N N 37 110.000 110.000 105.257 4.743 19038 380 1 2 . 1 1 37 37 GLY H H 37 7.370 7.370 7.336 0.034 19038 381 1 2 . 1 1 39 39 GLN N N 39 122.900 122.900 117.732 5.168 19038 382 1 2 . 1 1 39 39 GLN H H 39 7.700 7.700 8.934 -1.234 19038 383 1 2 . 1 1 40 40 GLU N N 40 121.500 121.500 119.584 1.916 19038 384 1 2 . 1 1 40 40 GLU H H 40 9.850 9.850 8.292 1.558 19038 385 1 2 . 1 1 44 44 VAL N N 44 120.000 120.000 116.709 3.291 19038 386 1 2 . 1 1 44 44 VAL H H 44 7.090 7.090 7.490 -0.400 19038 387 1 2 . 1 1 46 46 GLN N N 46 112.500 112.500 114.750 -2.250 19038 388 1 2 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 389 1 2 . 1 1 47 47 GLU N N 47 121.500 121.500 121.536 -0.036 19038 390 1 2 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 391 1 2 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 392 1 2 . 1 1 48 48 SER H H 48 8.560 8.560 8.812 -0.252 19038 393 1 2 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 394 1 2 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 395 1 2 . 1 1 50 50 VAL N N 50 126.200 126.200 123.637 2.563 19038 396 1 2 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 397 1 2 . 1 1 52 52 ASP N N 52 118.000 118.000 117.605 0.395 19038 398 1 2 . 1 1 52 52 ASP H H 52 8.040 8.040 8.468 -0.428 19038 399 1 2 . 1 1 54 54 VAL N N 54 114.000 114.000 120.507 -6.507 19038 400 1 2 . 1 1 54 54 VAL H H 54 8.530 8.530 8.028 0.502 19038 401 1 2 . 1 1 55 55 TRP N N 55 123.300 123.300 123.110 0.190 19038 402 1 2 . 1 1 55 55 TRP H H 55 8.920 8.920 9.314 -0.394 19038 403 1 2 . 1 1 56 56 THR N N 56 120.300 120.300 122.419 -2.119 19038 404 1 2 . 1 1 56 56 THR H H 56 7.860 7.860 7.846 0.014 19038 405 1 2 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 406 1 2 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 407 1 2 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 408 1 2 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 409 1 2 . 1 1 61 61 GLY N N 61 112.200 112.200 110.004 2.196 19038 410 1 2 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 411 1 2 . 1 1 62 62 HIS N N 62 121.900 121.900 115.745 6.155 19038 412 1 2 . 1 1 62 62 HIS H H 62 7.100 7.100 6.852 0.248 19038 413 1 2 . 1 1 64 64 ILE N N 64 126.000 126.000 119.881 6.119 19038 414 1 2 . 1 1 64 64 ILE H H 64 10.360 10.360 8.943 1.417 19038 415 1 2 . 1 1 65 65 ALA N N 65 128.900 128.900 131.123 -2.223 19038 416 1 2 . 1 1 65 65 ALA H H 65 7.840 7.840 8.115 -0.275 19038 417 1 2 . 1 1 66 66 THR N N 66 109.300 109.300 115.554 -6.254 19038 418 1 2 . 1 1 66 66 THR H H 66 8.600 8.600 8.641 -0.041 19038 419 1 2 . 1 1 67 67 ARG N N 67 115.000 115.000 120.515 -5.515 19038 420 1 2 . 1 1 67 67 ARG H H 67 6.420 6.420 7.297 -0.877 19038 421 1 2 . 1 1 68 68 GLY N N 68 112.600 112.600 109.924 2.676 19038 422 1 2 . 1 1 68 68 GLY H H 68 10.340 10.340 9.271 1.069 19038 423 1 2 . 1 1 69 69 GLN N N 69 120.100 120.100 121.148 -1.048 19038 424 1 2 . 1 1 69 69 GLN H H 69 8.910 8.910 8.109 0.801 19038 425 1 2 . 1 1 70 70 LEU N N 70 117.400 117.400 119.391 -1.991 19038 426 1 2 . 1 1 70 70 LEU H H 70 6.410 6.410 7.836 -1.426 19038 427 1 2 . 1 1 73 73 GLU N N 73 115.100 115.100 119.668 -4.568 19038 428 1 2 . 1 1 73 73 GLU H H 73 7.780 7.780 7.879 -0.099 19038 429 1 2 . 1 1 74 74 ALA N N 74 121.500 121.500 121.642 -0.142 19038 430 1 2 . 1 1 74 74 ALA H H 74 8.150 8.150 7.800 0.350 19038 431 1 2 . 1 1 78 78 TYR N N 78 121.800 121.800 122.504 -0.704 19038 432 1 2 . 1 1 78 78 TYR H H 78 7.350 7.350 7.554 -0.204 19038 433 1 2 . 1 1 83 83 SER N N 83 127.400 127.400 121.694 5.706 19038 434 1 2 . 1 1 83 83 SER H H 83 9.970 9.970 9.384 0.586 19038 435 1 2 . 1 1 85 85 CYS N N 85 111.600 111.600 116.956 -5.356 19038 436 1 2 . 1 1 85 85 CYS H H 85 5.690 5.690 7.944 -2.254 19038 437 1 2 . 1 1 90 90 ARG N N 90 124.800 124.800 127.216 -2.416 19038 438 1 2 . 1 1 90 90 ARG H H 90 9.410 9.410 8.821 0.589 19038 439 1 2 . 1 1 91 91 GLU N N 91 116.300 116.300 116.131 0.169 19038 440 1 2 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 441 1 2 . 1 1 92 92 ALA N N 92 123.600 123.600 122.330 1.270 19038 442 1 2 . 1 1 92 92 ALA H H 92 7.120 7.120 8.612 -1.492 19038 443 1 2 . 1 1 93 93 GLY N N 93 104.600 104.600 106.352 -1.752 19038 444 1 2 . 1 1 93 93 GLY H H 93 7.350 7.350 7.723 -0.373 19038 445 1 2 . 1 1 95 95 ALA N N 95 120.400 120.400 121.641 -1.241 19038 446 1 2 . 1 1 95 95 ALA H H 95 6.820 6.820 7.486 -0.666 19038 447 1 2 . 1 1 96 96 TYR N N 96 121.800 121.800 120.714 1.086 19038 448 1 2 . 1 1 96 96 TYR H H 96 7.300 7.300 7.414 -0.114 19038 449 1 2 . 1 1 107 107 GLU N N 107 128.200 128.200 118.903 9.297 19038 450 1 2 . 1 1 107 107 GLU H H 107 8.760 8.760 8.398 0.362 19038 451 1 2 . 1 1 109 109 ARG N N 109 119.400 119.400 119.814 -0.414 19038 452 1 2 . 1 1 109 109 ARG H H 109 7.590 7.590 8.212 -0.622 19038 453 1 2 . 1 1 111 111 PHE N N 111 118.100 118.100 117.784 0.316 19038 454 1 2 . 1 1 111 111 PHE H H 111 7.130 7.130 7.700 -0.570 19038 455 1 2 . 1 1 126 126 LYS N N 126 119.200 119.200 120.510 -1.310 19038 456 1 2 . 1 1 126 126 LYS H H 126 7.220 7.220 7.445 -0.225 19038 457 1 2 . 1 1 130 130 ARG N N 130 121.500 121.500 119.547 1.953 19038 458 1 2 . 1 1 130 130 ARG H H 130 7.790 7.790 8.260 -0.470 19038 459 1 2 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 460 1 2 . 1 1 137 137 SER H H 137 8.320 8.320 8.247 0.073 19038 461 1 2 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 462 1 2 . 1 1 140 140 GLU H H 140 8.590 8.590 8.079 0.511 19038 463 1 2 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 464 1 2 . 1 1 141 141 SER H H 141 7.480 7.480 7.876 -0.396 19038 465 1 2 . 1 1 145 145 GLN N N 145 114.300 114.300 118.178 -3.878 19038 466 1 2 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 467 1 2 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 468 1 2 . 1 1 146 146 GLY H H 146 6.490 6.490 7.891 -1.401 19038 469 1 2 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 470 1 2 . 1 1 147 147 GLN H H 147 5.880 5.880 6.832 -0.953 19038 471 1 2 . 1 1 148 148 CYS N N 148 110.800 110.800 115.356 -4.556 19038 472 1 2 . 1 1 148 148 CYS H H 148 8.230 8.230 8.540 -0.310 19038 473 1 2 . 1 1 149 149 ASN N N 149 120.100 120.100 121.072 -0.972 19038 474 1 2 . 1 1 149 149 ASN H H 149 9.130 9.130 9.072 0.058 19038 475 1 2 . 1 1 150 150 PHE N N 150 124.300 124.300 125.442 -1.142 19038 476 1 2 . 1 1 150 150 PHE H H 150 9.280 9.280 8.072 1.208 19038 477 1 2 . 1 1 151 151 THR N N 151 109.000 109.000 110.571 -1.571 19038 478 1 2 . 1 1 151 151 THR H H 151 7.180 7.180 8.224 -1.044 19038 479 1 2 . 1 1 152 152 GLU N N 152 119.000 119.000 120.517 -1.517 19038 480 1 2 . 1 1 152 152 GLU H H 152 6.250 6.250 7.789 -1.539 19038 481 1 2 . 1 1 153 153 ASP N N 153 115.000 115.000 117.732 -2.732 19038 482 1 2 . 1 1 153 153 ASP H H 153 8.580 8.580 8.368 0.212 19038 483 1 2 . 1 1 154 154 TYR N N 154 116.500 116.500 118.351 -1.851 19038 484 1 2 . 1 1 154 154 TYR H H 154 7.160 7.160 7.634 -0.474 19038 485 1 2 . 1 1 156 156 GLU N N 156 106.900 106.900 117.005 -10.105 19038 486 1 2 . 1 1 156 156 GLU H H 156 7.570 7.570 7.724 -0.154 19038 487 1 2 . 1 1 163 163 PHE N N 163 121.800 121.800 121.925 -0.125 19038 488 1 2 . 1 1 163 163 PHE H H 163 7.950 7.950 7.469 0.481 19038 489 1 2 . 1 1 168 168 GLY N N 168 109.500 109.500 106.298 3.202 19038 490 1 2 . 1 1 168 168 GLY H H 168 7.900 7.900 7.560 0.340 19038 491 1 2 . 1 1 169 169 LEU N N 169 122.800 122.800 119.996 2.804 19038 492 1 2 . 1 1 169 169 LEU H H 169 8.490 8.490 8.078 0.412 19038 493 1 2 . 1 1 171 171 GLU N N 171 123.500 123.500 123.463 0.037 19038 494 1 2 . 1 1 171 171 GLU H H 171 8.790 8.790 9.025 -0.235 19038 495 1 2 . 1 1 172 172 GLU N N 172 120.500 120.500 118.332 2.168 19038 496 1 2 . 1 1 172 172 GLU H H 172 9.410 9.410 8.556 0.854 19038 497 1 2 . 1 1 189 189 GLY N N 189 110.600 110.600 108.718 1.882 19038 498 1 2 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 499 1 2 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 500 1 2 . 1 1 193 193 PHE H H 193 8.550 8.550 8.642 -0.092 19038 501 1 2 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 502 1 2 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 503 1 2 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 504 1 2 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 505 1 2 . 1 1 200 200 LEU N N 200 124.400 124.400 120.125 4.275 19038 506 1 2 . 1 1 200 200 LEU H H 200 7.850 7.850 7.635 0.215 19038 507 1 2 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 508 1 2 . 1 1 207 207 ILE H H 207 6.540 6.540 7.009 -0.469 19038 509 1 2 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 510 1 2 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 511 1 2 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 512 1 2 . 1 1 214 214 LYS H H 214 8.040 8.040 8.149 -0.109 19038 513 1 2 . 1 1 216 216 GLY N N 216 111.500 111.500 111.374 0.126 19038 514 1 2 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 515 1 2 . 1 1 219 219 ALA N N 219 118.900 118.900 121.632 -2.732 19038 516 1 2 . 1 1 219 219 ALA H H 219 8.540 8.540 8.406 0.134 19038 517 1 2 . 1 1 223 223 VAL N N 223 119.500 119.500 118.687 0.813 19038 518 1 2 . 1 1 223 223 VAL H H 223 7.900 7.900 8.132 -0.232 19038 519 1 2 . 1 1 224 224 ALA N N 224 116.800 116.800 122.640 -5.840 19038 520 1 2 . 1 1 224 224 ALA H H 224 9.020 9.020 8.378 0.642 19038 521 1 2 . 1 1 226 226 GLY N N 226 110.200 110.200 107.958 2.242 19038 522 1 2 . 1 1 226 226 GLY H H 226 7.700 7.700 7.418 0.282 19038 523 1 2 . 1 1 227 227 GLN N N 227 118.700 118.700 118.350 0.350 19038 524 1 2 . 1 1 227 227 GLN H H 227 8.170 8.170 8.358 -0.188 19038 525 1 2 . 1 1 228 228 VAL N N 228 117.900 117.900 118.832 -0.932 19038 526 1 2 . 1 1 228 228 VAL H H 228 8.900 8.900 8.993 -0.093 19038 527 1 2 . 1 1 229 229 ASN N N 229 121.900 121.900 126.249 -4.349 19038 528 1 2 . 1 1 229 229 ASN H H 229 8.900 8.900 9.232 -0.332 19038 529 1 2 . 1 1 230 230 GLY N N 230 103.600 103.600 100.215 3.385 19038 530 1 2 . 1 1 230 230 GLY H H 230 8.580 8.580 8.489 0.091 19038 531 1 2 . 1 1 231 231 ARG N N 231 119.300 119.300 119.825 -0.525 19038 532 1 2 . 1 1 231 231 ARG H H 231 7.950 7.950 7.589 0.361 19038 533 1 2 . 1 1 233 233 ILE N N 233 127.400 127.400 127.369 0.031 19038 534 1 2 . 1 1 233 233 ILE H H 233 8.250 8.250 8.360 -0.110 19038 535 1 2 . 1 1 238 238 ALA N N 238 119.900 119.900 122.066 -2.166 19038 536 1 2 . 1 1 238 238 ALA H H 238 8.610 8.610 8.202 0.408 19038 537 1 2 . 1 1 239 239 LYS N N 239 122.500 122.500 118.690 3.810 19038 538 1 2 . 1 1 239 239 LYS H H 239 8.180 8.180 7.954 0.226 19038 539 1 2 . 1 1 241 241 MET N N 241 120.400 120.400 120.719 -0.319 19038 540 1 2 . 1 1 241 241 MET H H 241 8.140 8.140 7.901 0.239 19038 541 1 2 . 1 1 243 243 GLY N N 243 106.400 106.400 107.914 -1.514 19038 542 1 2 . 1 1 243 243 GLY H H 243 8.740 8.740 8.204 0.536 19038 543 1 2 . 1 1 254 254 VAL N N 254 118.500 118.500 119.148 -0.648 19038 544 1 2 . 1 1 254 254 VAL H H 254 7.060 7.060 8.402 -1.342 19038 545 1 2 . 1 1 260 260 SER N N 260 109.100 109.100 114.983 -5.883 19038 546 1 2 . 1 1 260 260 SER H H 260 7.030 7.030 7.722 -0.692 19038 547 1 2 . 1 1 261 261 MET N N 261 118.900 118.900 119.926 -1.026 19038 548 1 2 . 1 1 261 261 MET H H 261 6.470 6.470 7.989 -1.519 19038 549 1 2 . 1 1 266 266 LYS N N 266 116.400 116.400 116.353 0.047 19038 550 1 2 . 1 1 266 266 LYS H H 266 7.260 7.260 7.286 -0.026 19038 551 1 2 . 1 1 267 267 SER N N 267 114.800 114.800 114.610 0.190 19038 552 1 2 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 553 1 2 . 1 1 269 269 GLU N N 269 117.700 117.700 118.986 -1.286 19038 554 1 2 . 1 1 269 269 GLU H H 269 8.990 8.990 8.587 0.403 19038 555 1 2 . 1 1 271 271 ARG N N 271 117.900 117.900 119.297 -1.397 19038 556 1 2 . 1 1 271 271 ARG H H 271 7.550 7.550 7.741 -0.191 19038 557 1 2 . 1 1 273 273 GLU N N 273 119.200 119.200 120.705 -1.505 19038 558 1 2 . 1 1 273 273 GLU H H 273 7.470 7.470 7.794 -0.324 19038 559 1 2 . 1 1 274 274 LEU N N 274 115.700 115.700 118.593 -2.893 19038 560 1 2 . 1 1 274 274 LEU H H 274 6.990 6.990 7.677 -0.687 19038 561 1 2 . 1 1 275 275 ILE N N 275 122.000 122.000 118.921 3.079 19038 562 1 2 . 1 1 275 275 ILE H H 275 7.570 7.570 7.924 -0.354 19038 563 1 2 . 1 1 276 276 GLN N N 276 116.600 116.600 118.765 -2.165 19038 564 1 2 . 1 1 276 276 GLN H H 276 7.500 7.500 8.035 -0.535 19038 565 1 2 . 1 1 279 279 GLU N N 279 122.500 122.500 117.021 5.479 19038 566 1 2 . 1 1 279 279 GLU H H 279 10.010 10.010 8.856 1.154 19038 567 1 2 . 1 1 280 280 ARG N N 280 121.300 121.300 118.231 3.069 19038 568 1 2 . 1 1 280 280 ARG H H 280 8.500 8.500 7.471 1.029 19038 569 1 2 . 1 1 284 284 ALA N N 284 123.100 123.100 121.716 1.384 19038 570 1 2 . 1 1 284 284 ALA H H 284 8.510 8.510 8.260 0.250 19038 571 1 2 . 1 1 291 291 ARG N N 291 119.500 119.500 120.789 -1.289 19038 572 1 2 . 1 1 291 291 ARG H H 291 8.210 8.210 7.812 0.398 19038 573 1 2 . 1 1 292 292 PHE N N 292 115.500 115.500 117.232 -1.732 19038 574 1 2 . 1 1 292 292 PHE H H 292 8.570 8.570 7.764 0.806 19038 575 1 2 . 1 1 293 293 SER N N 293 110.600 110.600 115.909 -5.309 19038 576 1 2 . 1 1 293 293 SER H H 293 5.950 5.950 7.385 -1.435 19038 577 1 2 . 1 1 299 299 ARG N N 299 117.700 117.700 117.339 0.361 19038 578 1 2 . 1 1 299 299 ARG H H 299 8.260 8.260 8.290 -0.030 19038 579 1 2 . 1 1 300 300 ILE N N 300 122.000 122.000 120.209 1.791 19038 580 1 2 . 1 1 300 300 ILE H H 300 9.560 9.560 8.443 1.117 19038 581 1 2 . 1 1 301 301 LEU N N 301 131.900 131.900 128.510 3.390 19038 582 1 2 . 1 1 301 301 LEU H H 301 8.800 8.800 8.940 -0.140 19038 583 1 2 . 1 1 302 302 THR N N 302 116.800 116.800 116.147 0.653 19038 584 1 2 . 1 1 302 302 THR H H 302 8.680 8.680 8.819 -0.139 19038 585 1 2 . 1 1 303 303 SER N N 303 112.900 112.900 115.375 -2.475 19038 586 1 2 . 1 1 303 303 SER H H 303 7.500 7.500 7.487 0.013 19038 587 1 2 . 1 1 304 304 ASP N N 304 121.800 121.800 121.112 0.688 19038 588 1 2 . 1 1 304 304 ASP H H 304 8.500 8.500 8.591 -0.091 19038 589 1 2 . 1 1 305 305 TYR N N 305 126.500 126.500 123.411 3.089 19038 590 1 2 . 1 1 305 305 TYR H H 305 8.390 8.390 8.490 -0.100 19038 591 1 2 . 1 1 306 306 GLU N N 306 130.500 130.500 128.995 1.505 19038 592 1 2 . 1 1 306 306 GLU H H 306 7.720 7.720 8.321 -0.601 19038 593 1 2 . 1 1 307 307 PHE N N 307 130.200 130.200 128.935 1.265 19038 594 1 2 . 1 1 307 307 PHE H H 307 8.480 8.480 8.629 -0.149 19038 595 1 2 . 1 1 308 308 HIS N N 308 124.200 124.200 126.288 -2.088 19038 596 1 2 . 1 1 308 308 HIS H H 308 8.980 8.980 8.834 0.146 19038 597 1 2 . 1 1 309 309 GLY N N 309 102.900 102.900 103.452 -0.552 19038 598 1 2 . 1 1 309 309 GLY H H 309 8.360 8.360 8.225 0.135 19038 599 1 2 . 1 1 310 310 VAL N N 310 124.100 124.100 121.336 2.764 19038 600 1 2 . 1 1 310 310 VAL H H 310 7.500 7.500 7.249 0.251 19038 601 1 2 . 1 1 311 311 GLN N N 311 126.400 126.400 125.161 1.239 19038 602 1 2 . 1 1 311 311 GLN H H 311 8.400 8.400 8.595 -0.195 19038 603 1 2 . 1 1 312 312 LEU N N 312 128.800 128.800 126.151 2.649 19038 604 1 2 . 1 1 312 312 LEU H H 312 8.630 8.630 8.380 0.250 19038 605 1 2 . 1 1 313 313 LYS N N 313 125.100 125.100 121.584 3.516 19038 606 1 2 . 1 1 313 313 LYS H H 313 8.550 8.550 8.959 -0.409 19038 607 1 2 . 1 1 314 314 LYS N N 314 122.300 122.300 126.446 -4.146 19038 608 1 2 . 1 1 314 314 LYS H H 314 8.730 8.730 8.917 -0.187 19038 609 1 2 . 1 1 315 315 GLY N N 315 117.700 117.700 115.307 2.393 19038 610 1 2 . 1 1 315 315 GLY H H 315 8.590 8.590 9.018 -0.428 19038 611 1 2 . 1 1 316 316 ASP N N 316 123.100 123.100 123.052 0.048 19038 612 1 2 . 1 1 316 316 ASP H H 316 8.960 8.960 8.351 0.609 19038 613 1 2 . 1 1 317 317 GLN N N 317 119.300 119.300 121.615 -2.315 19038 614 1 2 . 1 1 317 317 GLN H H 317 9.500 9.500 9.018 0.482 19038 615 1 2 . 1 1 319 319 LEU N N 319 131.600 131.600 130.552 1.048 19038 616 1 2 . 1 1 319 319 LEU H H 319 9.090 9.090 9.204 -0.114 19038 617 1 2 . 1 1 320 320 LEU N N 320 132.200 132.200 128.701 3.499 19038 618 1 2 . 1 1 320 320 LEU H H 320 8.860 8.860 7.954 0.906 19038 619 1 2 . 1 1 323 323 MET N N 323 113.300 113.300 118.624 -5.324 19038 620 1 2 . 1 1 323 323 MET H H 323 7.600 7.600 7.327 0.273 19038 621 1 2 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 622 1 2 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 623 1 2 . 1 1 330 330 ARG N N 330 119.300 119.300 117.084 2.216 19038 624 1 2 . 1 1 330 330 ARG H H 330 8.630 8.630 8.145 0.485 19038 625 1 2 . 1 1 332 332 ASN N N 332 117.000 117.000 117.439 -0.439 19038 626 1 2 . 1 1 332 332 ASN H H 332 7.830 7.830 8.158 -0.328 19038 627 1 2 . 1 1 333 333 ALA N N 333 124.700 124.700 125.331 -0.631 19038 628 1 2 . 1 1 333 333 ALA H H 333 8.510 8.510 8.606 -0.096 19038 629 1 2 . 1 1 334 334 CYS N N 334 123.200 123.200 118.643 4.557 19038 630 1 2 . 1 1 334 334 CYS H H 334 9.200 9.200 9.219 -0.019 19038 631 1 2 . 1 1 336 336 MET N N 336 116.200 116.200 114.139 2.061 19038 632 1 2 . 1 1 336 336 MET H H 336 8.750 8.750 8.065 0.685 19038 633 1 2 . 1 1 338 338 VAL N N 338 127.100 127.100 127.598 -0.498 19038 634 1 2 . 1 1 338 338 VAL H H 338 8.060 8.060 8.168 -0.108 19038 635 1 2 . 1 1 339 339 ASP N N 339 131.600 131.600 127.711 3.889 19038 636 1 2 . 1 1 339 339 ASP H H 339 10.090 10.090 8.844 1.246 19038 637 1 2 . 1 1 340 340 PHE N N 340 124.800 124.800 124.437 0.363 19038 638 1 2 . 1 1 340 340 PHE H H 340 9.520 9.520 8.736 0.784 19038 639 1 2 . 1 1 341 341 SER N N 341 116.500 116.500 112.024 4.476 19038 640 1 2 . 1 1 341 341 SER H H 341 8.670 8.670 7.939 0.731 19038 641 1 2 . 1 1 342 342 ARG N N 342 124.700 124.700 123.043 1.657 19038 642 1 2 . 1 1 342 342 ARG H H 342 7.170 7.170 7.543 -0.373 19038 643 1 2 . 1 1 347 347 HIS N N 347 121.900 121.900 120.838 1.062 19038 644 1 2 . 1 1 347 347 HIS H H 347 8.190 8.190 8.257 -0.067 19038 645 1 2 . 1 1 356 356 LEU N N 356 119.400 119.400 122.870 -3.470 19038 646 1 2 . 1 1 356 356 LEU H H 356 6.890 6.890 7.667 -0.777 19038 647 1 2 . 1 1 360 360 GLN N N 360 118.500 118.500 119.675 -1.175 19038 648 1 2 . 1 1 360 360 GLN H H 360 8.690 8.690 7.426 1.264 19038 649 1 2 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 650 1 2 . 1 1 380 380 ASP H H 380 8.130 8.130 8.133 -0.003 19038 651 1 2 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 652 1 2 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 653 1 2 . 1 1 382 382 SER N N 382 111.600 111.600 114.343 -2.743 19038 654 1 2 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 655 1 2 . 1 1 384 384 ALA N N 384 132.000 132.000 130.854 1.146 19038 656 1 2 . 1 1 384 384 ALA H H 384 8.150 8.150 8.636 -0.486 19038 657 1 2 . 1 1 387 387 ALA N N 387 124.100 124.100 123.897 0.203 19038 658 1 2 . 1 1 387 387 ALA H H 387 7.580 7.580 7.667 -0.087 19038 659 1 2 . 1 1 388 388 GLN N N 388 123.000 123.000 121.728 1.272 19038 660 1 2 . 1 1 388 388 GLN H H 388 8.410 8.410 8.486 -0.076 19038 661 1 2 . 1 1 389 389 ILE N N 389 127.100 127.100 124.738 2.362 19038 662 1 2 . 1 1 389 389 ILE H H 389 8.580 8.580 8.524 0.056 19038 663 1 2 . 1 1 390 390 GLN N N 390 130.000 130.000 126.535 3.465 19038 664 1 2 . 1 1 390 390 GLN H H 390 9.520 9.520 8.785 0.735 19038 665 1 2 . 1 1 391 391 HIS N N 391 125.800 125.800 121.397 4.403 19038 666 1 2 . 1 1 391 391 HIS H H 391 9.010 9.010 8.652 0.358 19038 667 1 2 . 1 1 392 392 LYS N N 392 119.200 119.200 119.577 -0.377 19038 668 1 2 . 1 1 392 392 LYS H H 392 8.890 8.890 8.890 -0.000 19038 669 1 2 . 1 1 394 394 GLY N N 394 110.200 110.200 108.858 1.342 19038 670 1 2 . 1 1 394 394 GLY H H 394 6.690 6.690 7.966 -1.276 19038 671 1 2 . 1 1 395 395 ILE N N 395 125.600 125.600 120.778 4.822 19038 672 1 2 . 1 1 395 395 ILE H H 395 8.330 8.330 8.016 0.314 19038 673 1 2 . 1 1 398 398 GLY N N 398 103.000 103.000 107.677 -4.677 19038 674 1 2 . 1 1 398 398 GLY H H 398 8.500 8.500 8.443 0.057 19038 675 1 2 . 1 1 400 400 GLN N N 400 126.200 126.200 126.265 -0.065 19038 676 1 2 . 1 1 400 400 GLN H H 400 8.900 8.900 8.838 0.062 19038 677 1 2 . 1 1 401 401 ALA N N 401 117.600 117.600 117.668 -0.068 19038 678 1 2 . 1 1 401 401 ALA H H 401 7.290 7.290 7.810 -0.520 19038 679 1 2 . 1 1 402 402 LEU N N 402 119.900 119.900 121.745 -1.845 19038 680 1 2 . 1 1 402 402 LEU H H 402 8.620 8.620 8.610 0.010 19038 681 1 2 . 1 1 405 405 VAL N N 405 114.400 114.400 113.898 0.502 19038 682 1 2 . 1 1 405 405 VAL H H 405 9.210 9.210 9.015 0.195 19038 683 1 2 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 684 1 2 . 1 1 409 409 ALA H H 409 8.630 8.630 7.882 0.748 19038 685 1 2 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 686 1 2 . 1 1 410 410 THR H H 410 8.120 8.120 7.857 0.263 19038 687 1 2 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 688 1 2 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 689 1 2 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 690 1 2 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 691 1 2 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 692 1 2 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 693 1 3 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 694 1 3 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 695 1 3 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 696 1 3 . 1 1 14 14 LEU H H 14 8.400 8.400 8.234 0.166 19038 697 1 3 . 1 1 17 17 HIS N N 17 111.900 111.900 115.148 -3.248 19038 698 1 3 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 699 1 3 . 1 1 18 18 VAL N N 18 127.700 127.700 123.313 4.387 19038 700 1 3 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 701 1 3 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 702 1 3 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 703 1 3 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 704 1 3 . 1 1 21 21 HIS H H 21 7.830 7.830 8.285 -0.455 19038 705 1 3 . 1 1 22 22 LEU N N 22 119.300 119.300 119.788 -0.488 19038 706 1 3 . 1 1 22 22 LEU H H 22 7.140 7.140 7.318 -0.178 19038 707 1 3 . 1 1 23 23 VAL N N 23 120.900 120.900 120.676 0.224 19038 708 1 3 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 709 1 3 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 710 1 3 . 1 1 24 24 PHE H H 24 9.200 9.200 8.818 0.382 19038 711 1 3 . 1 1 25 25 ASP N N 25 126.600 126.600 129.536 -2.936 19038 712 1 3 . 1 1 25 25 ASP H H 25 8.100 8.100 8.388 -0.288 19038 713 1 3 . 1 1 26 26 PHE N N 26 125.200 125.200 123.458 1.742 19038 714 1 3 . 1 1 26 26 PHE H H 26 8.260 8.260 8.359 -0.099 19038 715 1 3 . 1 1 27 27 ASP N N 27 133.400 133.400 128.832 4.568 19038 716 1 3 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 717 1 3 . 1 1 30 30 ASN N N 30 116.600 116.600 117.240 -0.640 19038 718 1 3 . 1 1 30 30 ASN H H 30 6.670 6.670 7.371 -0.701 19038 719 1 3 . 1 1 34 34 LEU N N 34 120.200 120.200 122.730 -2.530 19038 720 1 3 . 1 1 34 34 LEU H H 34 7.180 7.180 7.519 -0.339 19038 721 1 3 . 1 1 35 35 SER N N 35 114.900 114.900 114.914 -0.014 19038 722 1 3 . 1 1 35 35 SER H H 35 8.540 8.540 8.540 -0.000 19038 723 1 3 . 1 1 36 36 ALA N N 36 124.900 124.900 123.015 1.885 19038 724 1 3 . 1 1 36 36 ALA H H 36 7.770 7.770 7.352 0.418 19038 725 1 3 . 1 1 37 37 GLY N N 37 110.000 110.000 105.257 4.743 19038 726 1 3 . 1 1 37 37 GLY H H 37 7.370 7.370 7.336 0.034 19038 727 1 3 . 1 1 39 39 GLN N N 39 122.900 122.900 117.732 5.168 19038 728 1 3 . 1 1 39 39 GLN H H 39 7.700 7.700 8.935 -1.235 19038 729 1 3 . 1 1 40 40 GLU N N 40 121.500 121.500 119.584 1.916 19038 730 1 3 . 1 1 40 40 GLU H H 40 9.850 9.850 8.292 1.558 19038 731 1 3 . 1 1 44 44 VAL N N 44 120.000 120.000 116.710 3.290 19038 732 1 3 . 1 1 44 44 VAL H H 44 7.090 7.090 7.491 -0.401 19038 733 1 3 . 1 1 46 46 GLN N N 46 112.500 112.500 114.751 -2.251 19038 734 1 3 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 735 1 3 . 1 1 47 47 GLU N N 47 121.500 121.500 121.537 -0.037 19038 736 1 3 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 737 1 3 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 738 1 3 . 1 1 48 48 SER H H 48 8.560 8.560 8.813 -0.253 19038 739 1 3 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 740 1 3 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 741 1 3 . 1 1 50 50 VAL N N 50 126.200 126.200 123.638 2.562 19038 742 1 3 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 743 1 3 . 1 1 52 52 ASP N N 52 118.000 118.000 117.606 0.394 19038 744 1 3 . 1 1 52 52 ASP H H 52 8.040 8.040 8.468 -0.428 19038 745 1 3 . 1 1 54 54 VAL N N 54 114.000 114.000 120.507 -6.507 19038 746 1 3 . 1 1 54 54 VAL H H 54 8.530 8.530 8.029 0.501 19038 747 1 3 . 1 1 55 55 TRP N N 55 123.300 123.300 123.110 0.190 19038 748 1 3 . 1 1 55 55 TRP H H 55 8.920 8.920 9.315 -0.395 19038 749 1 3 . 1 1 56 56 THR N N 56 120.300 120.300 122.419 -2.119 19038 750 1 3 . 1 1 56 56 THR H H 56 7.860 7.860 7.847 0.013 19038 751 1 3 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 752 1 3 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 753 1 3 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 754 1 3 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 755 1 3 . 1 1 61 61 GLY N N 61 112.200 112.200 110.005 2.195 19038 756 1 3 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 757 1 3 . 1 1 62 62 HIS N N 62 121.900 121.900 115.746 6.154 19038 758 1 3 . 1 1 62 62 HIS H H 62 7.100 7.100 6.852 0.248 19038 759 1 3 . 1 1 64 64 ILE N N 64 126.000 126.000 119.882 6.118 19038 760 1 3 . 1 1 64 64 ILE H H 64 10.360 10.360 8.944 1.416 19038 761 1 3 . 1 1 65 65 ALA N N 65 128.900 128.900 131.124 -2.224 19038 762 1 3 . 1 1 65 65 ALA H H 65 7.840 7.840 8.117 -0.277 19038 763 1 3 . 1 1 66 66 THR N N 66 109.300 109.300 115.555 -6.255 19038 764 1 3 . 1 1 66 66 THR H H 66 8.600 8.600 8.642 -0.042 19038 765 1 3 . 1 1 67 67 ARG N N 67 115.000 115.000 120.516 -5.516 19038 766 1 3 . 1 1 67 67 ARG H H 67 6.420 6.420 7.298 -0.878 19038 767 1 3 . 1 1 68 68 GLY N N 68 112.600 112.600 109.932 2.668 19038 768 1 3 . 1 1 68 68 GLY H H 68 10.340 10.340 9.268 1.072 19038 769 1 3 . 1 1 69 69 GLN N N 69 120.100 120.100 121.125 -1.025 19038 770 1 3 . 1 1 69 69 GLN H H 69 8.910 8.910 8.112 0.798 19038 771 1 3 . 1 1 70 70 LEU N N 70 117.400 117.400 119.223 -1.823 19038 772 1 3 . 1 1 70 70 LEU H H 70 6.410 6.410 7.837 -1.427 19038 773 1 3 . 1 1 73 73 GLU N N 73 115.100 115.100 119.658 -4.558 19038 774 1 3 . 1 1 73 73 GLU H H 73 7.780 7.780 7.851 -0.071 19038 775 1 3 . 1 1 74 74 ALA N N 74 121.500 121.500 121.399 0.101 19038 776 1 3 . 1 1 74 74 ALA H H 74 8.150 8.150 7.752 0.398 19038 777 1 3 . 1 1 78 78 TYR N N 78 121.800 121.800 123.033 -1.233 19038 778 1 3 . 1 1 78 78 TYR H H 78 7.350 7.350 7.616 -0.266 19038 779 1 3 . 1 1 83 83 SER N N 83 127.400 127.400 121.695 5.705 19038 780 1 3 . 1 1 83 83 SER H H 83 9.970 9.970 9.389 0.581 19038 781 1 3 . 1 1 85 85 CYS N N 85 111.600 111.600 116.956 -5.356 19038 782 1 3 . 1 1 85 85 CYS H H 85 5.690 5.690 7.944 -2.254 19038 783 1 3 . 1 1 90 90 ARG N N 90 124.800 124.800 127.216 -2.416 19038 784 1 3 . 1 1 90 90 ARG H H 90 9.410 9.410 8.822 0.588 19038 785 1 3 . 1 1 91 91 GLU N N 91 116.300 116.300 116.131 0.169 19038 786 1 3 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 787 1 3 . 1 1 92 92 ALA N N 92 123.600 123.600 122.330 1.270 19038 788 1 3 . 1 1 92 92 ALA H H 92 7.120 7.120 8.612 -1.492 19038 789 1 3 . 1 1 93 93 GLY N N 93 104.600 104.600 106.352 -1.752 19038 790 1 3 . 1 1 93 93 GLY H H 93 7.350 7.350 7.723 -0.373 19038 791 1 3 . 1 1 95 95 ALA N N 95 120.400 120.400 121.641 -1.241 19038 792 1 3 . 1 1 95 95 ALA H H 95 6.820 6.820 7.486 -0.666 19038 793 1 3 . 1 1 96 96 TYR N N 96 121.800 121.800 120.714 1.086 19038 794 1 3 . 1 1 96 96 TYR H H 96 7.300 7.300 7.414 -0.114 19038 795 1 3 . 1 1 107 107 GLU N N 107 128.200 128.200 118.934 9.266 19038 796 1 3 . 1 1 107 107 GLU H H 107 8.760 8.760 8.398 0.362 19038 797 1 3 . 1 1 109 109 ARG N N 109 119.400 119.400 119.358 0.042 19038 798 1 3 . 1 1 109 109 ARG H H 109 7.590 7.590 8.147 -0.557 19038 799 1 3 . 1 1 111 111 PHE N N 111 118.100 118.100 117.841 0.259 19038 800 1 3 . 1 1 111 111 PHE H H 111 7.130 7.130 7.730 -0.600 19038 801 1 3 . 1 1 126 126 LYS N N 126 119.200 119.200 120.310 -1.110 19038 802 1 3 . 1 1 126 126 LYS H H 126 7.220 7.220 7.459 -0.239 19038 803 1 3 . 1 1 130 130 ARG N N 130 121.500 121.500 119.671 1.829 19038 804 1 3 . 1 1 130 130 ARG H H 130 7.790 7.790 8.245 -0.455 19038 805 1 3 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 806 1 3 . 1 1 137 137 SER H H 137 8.320 8.320 8.247 0.073 19038 807 1 3 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 808 1 3 . 1 1 140 140 GLU H H 140 8.590 8.590 8.078 0.512 19038 809 1 3 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 810 1 3 . 1 1 141 141 SER H H 141 7.480 7.480 7.876 -0.396 19038 811 1 3 . 1 1 145 145 GLN N N 145 114.300 114.300 118.178 -3.878 19038 812 1 3 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 813 1 3 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 814 1 3 . 1 1 146 146 GLY H H 146 6.490 6.490 7.891 -1.401 19038 815 1 3 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 816 1 3 . 1 1 147 147 GLN H H 147 5.880 5.880 6.832 -0.952 19038 817 1 3 . 1 1 148 148 CYS N N 148 110.800 110.800 115.356 -4.556 19038 818 1 3 . 1 1 148 148 CYS H H 148 8.230 8.230 8.539 -0.309 19038 819 1 3 . 1 1 149 149 ASN N N 149 120.100 120.100 121.072 -0.972 19038 820 1 3 . 1 1 149 149 ASN H H 149 9.130 9.130 9.072 0.058 19038 821 1 3 . 1 1 150 150 PHE N N 150 124.300 124.300 125.442 -1.142 19038 822 1 3 . 1 1 150 150 PHE H H 150 9.280 9.280 8.072 1.208 19038 823 1 3 . 1 1 151 151 THR N N 151 109.000 109.000 110.571 -1.571 19038 824 1 3 . 1 1 151 151 THR H H 151 7.180 7.180 8.224 -1.044 19038 825 1 3 . 1 1 152 152 GLU N N 152 119.000 119.000 120.517 -1.517 19038 826 1 3 . 1 1 152 152 GLU H H 152 6.250 6.250 7.789 -1.539 19038 827 1 3 . 1 1 153 153 ASP N N 153 115.000 115.000 117.732 -2.732 19038 828 1 3 . 1 1 153 153 ASP H H 153 8.580 8.580 8.368 0.212 19038 829 1 3 . 1 1 154 154 TYR N N 154 116.500 116.500 118.351 -1.851 19038 830 1 3 . 1 1 154 154 TYR H H 154 7.160 7.160 7.634 -0.474 19038 831 1 3 . 1 1 156 156 GLU N N 156 106.900 106.900 117.005 -10.105 19038 832 1 3 . 1 1 156 156 GLU H H 156 7.570 7.570 7.724 -0.154 19038 833 1 3 . 1 1 163 163 PHE N N 163 121.800 121.800 121.925 -0.125 19038 834 1 3 . 1 1 163 163 PHE H H 163 7.950 7.950 7.469 0.481 19038 835 1 3 . 1 1 168 168 GLY N N 168 109.500 109.500 106.297 3.203 19038 836 1 3 . 1 1 168 168 GLY H H 168 7.900 7.900 7.559 0.341 19038 837 1 3 . 1 1 169 169 LEU N N 169 122.800 122.800 119.996 2.804 19038 838 1 3 . 1 1 169 169 LEU H H 169 8.490 8.490 8.078 0.412 19038 839 1 3 . 1 1 171 171 GLU N N 171 123.500 123.500 123.463 0.037 19038 840 1 3 . 1 1 171 171 GLU H H 171 8.790 8.790 9.025 -0.235 19038 841 1 3 . 1 1 172 172 GLU N N 172 120.500 120.500 118.332 2.168 19038 842 1 3 . 1 1 172 172 GLU H H 172 9.410 9.410 8.556 0.854 19038 843 1 3 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 844 1 3 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 845 1 3 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 846 1 3 . 1 1 193 193 PHE H H 193 8.550 8.550 8.643 -0.093 19038 847 1 3 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 848 1 3 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 849 1 3 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 850 1 3 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 851 1 3 . 1 1 200 200 LEU N N 200 124.400 124.400 120.125 4.275 19038 852 1 3 . 1 1 200 200 LEU H H 200 7.850 7.850 7.635 0.215 19038 853 1 3 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 854 1 3 . 1 1 207 207 ILE H H 207 6.540 6.540 7.008 -0.468 19038 855 1 3 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 856 1 3 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 857 1 3 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 858 1 3 . 1 1 214 214 LYS H H 214 8.040 8.040 8.148 -0.108 19038 859 1 3 . 1 1 216 216 GLY N N 216 111.500 111.500 111.371 0.129 19038 860 1 3 . 1 1 216 216 GLY H H 216 8.530 8.530 7.822 0.708 19038 861 1 3 . 1 1 219 219 ALA N N 219 118.900 118.900 121.637 -2.737 19038 862 1 3 . 1 1 219 219 ALA H H 219 8.540 8.540 8.407 0.133 19038 863 1 3 . 1 1 223 223 VAL N N 223 119.500 119.500 118.871 0.629 19038 864 1 3 . 1 1 223 223 VAL H H 223 7.900 7.900 8.132 -0.232 19038 865 1 3 . 1 1 224 224 ALA N N 224 116.800 116.800 122.675 -5.875 19038 866 1 3 . 1 1 224 224 ALA H H 224 9.020 9.020 8.369 0.651 19038 867 1 3 . 1 1 226 226 GLY N N 226 110.200 110.200 107.849 2.351 19038 868 1 3 . 1 1 226 226 GLY H H 226 7.700 7.700 7.433 0.267 19038 869 1 3 . 1 1 227 227 GLN N N 227 118.700 118.700 118.128 0.572 19038 870 1 3 . 1 1 227 227 GLN H H 227 8.170 8.170 8.475 -0.305 19038 871 1 3 . 1 1 228 228 VAL N N 228 117.900 117.900 118.933 -1.033 19038 872 1 3 . 1 1 228 228 VAL H H 228 8.900 8.900 8.989 -0.089 19038 873 1 3 . 1 1 229 229 ASN N N 229 121.900 121.900 126.992 -5.092 19038 874 1 3 . 1 1 229 229 ASN H H 229 8.900 8.900 9.261 -0.361 19038 875 1 3 . 1 1 230 230 GLY N N 230 103.600 103.600 102.823 0.777 19038 876 1 3 . 1 1 230 230 GLY H H 230 8.580 8.580 8.446 0.134 19038 877 1 3 . 1 1 231 231 ARG N N 231 119.300 119.300 120.020 -0.720 19038 878 1 3 . 1 1 231 231 ARG H H 231 7.950 7.950 7.590 0.360 19038 879 1 3 . 1 1 233 233 ILE N N 233 127.400 127.400 127.385 0.015 19038 880 1 3 . 1 1 233 233 ILE H H 233 8.250 8.250 8.361 -0.111 19038 881 1 3 . 1 1 238 238 ALA N N 238 119.900 119.900 122.091 -2.191 19038 882 1 3 . 1 1 238 238 ALA H H 238 8.610 8.610 8.157 0.453 19038 883 1 3 . 1 1 239 239 LYS N N 239 122.500 122.500 118.689 3.811 19038 884 1 3 . 1 1 239 239 LYS H H 239 8.180 8.180 7.953 0.227 19038 885 1 3 . 1 1 241 241 MET N N 241 120.400 120.400 120.693 -0.293 19038 886 1 3 . 1 1 241 241 MET H H 241 8.140 8.140 7.904 0.236 19038 887 1 3 . 1 1 243 243 GLY N N 243 106.400 106.400 107.914 -1.514 19038 888 1 3 . 1 1 243 243 GLY H H 243 8.740 8.740 8.203 0.537 19038 889 1 3 . 1 1 254 254 VAL N N 254 118.500 118.500 119.149 -0.649 19038 890 1 3 . 1 1 254 254 VAL H H 254 7.060 7.060 8.403 -1.343 19038 891 1 3 . 1 1 260 260 SER N N 260 109.100 109.100 114.983 -5.883 19038 892 1 3 . 1 1 260 260 SER H H 260 7.030 7.030 7.722 -0.692 19038 893 1 3 . 1 1 261 261 MET N N 261 118.900 118.900 119.926 -1.026 19038 894 1 3 . 1 1 261 261 MET H H 261 6.470 6.470 7.988 -1.518 19038 895 1 3 . 1 1 266 266 LYS N N 266 116.400 116.400 116.353 0.047 19038 896 1 3 . 1 1 266 266 LYS H H 266 7.260 7.260 7.286 -0.026 19038 897 1 3 . 1 1 267 267 SER N N 267 114.800 114.800 114.609 0.191 19038 898 1 3 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 899 1 3 . 1 1 269 269 GLU N N 269 117.700 117.700 118.985 -1.285 19038 900 1 3 . 1 1 269 269 GLU H H 269 8.990 8.990 8.587 0.403 19038 901 1 3 . 1 1 271 271 ARG N N 271 117.900 117.900 119.296 -1.396 19038 902 1 3 . 1 1 271 271 ARG H H 271 7.550 7.550 7.740 -0.190 19038 903 1 3 . 1 1 273 273 GLU N N 273 119.200 119.200 120.704 -1.504 19038 904 1 3 . 1 1 273 273 GLU H H 273 7.470 7.470 7.793 -0.323 19038 905 1 3 . 1 1 274 274 LEU N N 274 115.700 115.700 118.591 -2.891 19038 906 1 3 . 1 1 274 274 LEU H H 274 6.990 6.990 7.676 -0.686 19038 907 1 3 . 1 1 275 275 ILE N N 275 122.000 122.000 118.920 3.080 19038 908 1 3 . 1 1 275 275 ILE H H 275 7.570 7.570 7.923 -0.353 19038 909 1 3 . 1 1 276 276 GLN N N 276 116.600 116.600 118.764 -2.164 19038 910 1 3 . 1 1 276 276 GLN H H 276 7.500 7.500 8.034 -0.534 19038 911 1 3 . 1 1 279 279 GLU N N 279 122.500 122.500 117.602 4.898 19038 912 1 3 . 1 1 279 279 GLU H H 279 10.010 10.010 8.853 1.157 19038 913 1 3 . 1 1 280 280 ARG N N 280 121.300 121.300 118.236 3.064 19038 914 1 3 . 1 1 280 280 ARG H H 280 8.500 8.500 7.470 1.030 19038 915 1 3 . 1 1 284 284 ALA N N 284 123.100 123.100 121.712 1.388 19038 916 1 3 . 1 1 284 284 ALA H H 284 8.510 8.510 8.257 0.253 19038 917 1 3 . 1 1 291 291 ARG N N 291 119.500 119.500 120.787 -1.287 19038 918 1 3 . 1 1 291 291 ARG H H 291 8.210 8.210 7.810 0.400 19038 919 1 3 . 1 1 292 292 PHE N N 292 115.500 115.500 117.231 -1.731 19038 920 1 3 . 1 1 292 292 PHE H H 292 8.570 8.570 7.762 0.808 19038 921 1 3 . 1 1 293 293 SER N N 293 110.600 110.600 115.909 -5.309 19038 922 1 3 . 1 1 293 293 SER H H 293 5.950 5.950 7.385 -1.435 19038 923 1 3 . 1 1 299 299 ARG N N 299 117.700 117.700 117.341 0.359 19038 924 1 3 . 1 1 299 299 ARG H H 299 8.260 8.260 8.292 -0.032 19038 925 1 3 . 1 1 300 300 ILE N N 300 122.000 122.000 120.210 1.790 19038 926 1 3 . 1 1 300 300 ILE H H 300 9.560 9.560 8.445 1.115 19038 927 1 3 . 1 1 301 301 LEU N N 301 131.900 131.900 128.511 3.389 19038 928 1 3 . 1 1 301 301 LEU H H 301 8.800 8.800 8.940 -0.140 19038 929 1 3 . 1 1 302 302 THR N N 302 116.800 116.800 116.148 0.652 19038 930 1 3 . 1 1 302 302 THR H H 302 8.680 8.680 8.820 -0.140 19038 931 1 3 . 1 1 303 303 SER N N 303 112.900 112.900 115.375 -2.475 19038 932 1 3 . 1 1 303 303 SER H H 303 7.500 7.500 7.487 0.013 19038 933 1 3 . 1 1 304 304 ASP N N 304 121.800 121.800 121.112 0.688 19038 934 1 3 . 1 1 304 304 ASP H H 304 8.500 8.500 8.591 -0.091 19038 935 1 3 . 1 1 305 305 TYR N N 305 126.500 126.500 123.411 3.089 19038 936 1 3 . 1 1 305 305 TYR H H 305 8.390 8.390 8.490 -0.100 19038 937 1 3 . 1 1 306 306 GLU N N 306 130.500 130.500 128.995 1.505 19038 938 1 3 . 1 1 306 306 GLU H H 306 7.720 7.720 8.321 -0.601 19038 939 1 3 . 1 1 307 307 PHE N N 307 130.200 130.200 128.931 1.269 19038 940 1 3 . 1 1 307 307 PHE H H 307 8.480 8.480 8.631 -0.151 19038 941 1 3 . 1 1 308 308 HIS N N 308 124.200 124.200 126.287 -2.087 19038 942 1 3 . 1 1 308 308 HIS H H 308 8.980 8.980 8.835 0.145 19038 943 1 3 . 1 1 309 309 GLY N N 309 102.900 102.900 103.448 -0.548 19038 944 1 3 . 1 1 309 309 GLY H H 309 8.360 8.360 8.226 0.134 19038 945 1 3 . 1 1 310 310 VAL N N 310 124.100 124.100 121.336 2.764 19038 946 1 3 . 1 1 310 310 VAL H H 310 7.500 7.500 7.249 0.251 19038 947 1 3 . 1 1 311 311 GLN N N 311 126.400 126.400 125.161 1.239 19038 948 1 3 . 1 1 311 311 GLN H H 311 8.400 8.400 8.595 -0.195 19038 949 1 3 . 1 1 312 312 LEU N N 312 128.800 128.800 126.151 2.649 19038 950 1 3 . 1 1 312 312 LEU H H 312 8.630 8.630 8.380 0.250 19038 951 1 3 . 1 1 313 313 LYS N N 313 125.100 125.100 121.585 3.515 19038 952 1 3 . 1 1 313 313 LYS H H 313 8.550 8.550 8.959 -0.409 19038 953 1 3 . 1 1 314 314 LYS N N 314 122.300 122.300 126.446 -4.146 19038 954 1 3 . 1 1 314 314 LYS H H 314 8.730 8.730 8.918 -0.188 19038 955 1 3 . 1 1 315 315 GLY N N 315 117.700 117.700 115.307 2.393 19038 956 1 3 . 1 1 315 315 GLY H H 315 8.590 8.590 9.019 -0.429 19038 957 1 3 . 1 1 316 316 ASP N N 316 123.100 123.100 123.052 0.048 19038 958 1 3 . 1 1 316 316 ASP H H 316 8.960 8.960 8.352 0.608 19038 959 1 3 . 1 1 317 317 GLN N N 317 119.300 119.300 121.616 -2.316 19038 960 1 3 . 1 1 317 317 GLN H H 317 9.500 9.500 9.019 0.481 19038 961 1 3 . 1 1 319 319 LEU N N 319 131.600 131.600 130.553 1.047 19038 962 1 3 . 1 1 319 319 LEU H H 319 9.090 9.090 9.205 -0.115 19038 963 1 3 . 1 1 320 320 LEU N N 320 132.200 132.200 128.703 3.497 19038 964 1 3 . 1 1 320 320 LEU H H 320 8.860 8.860 7.956 0.904 19038 965 1 3 . 1 1 323 323 MET N N 323 113.300 113.300 119.681 -6.381 19038 966 1 3 . 1 1 323 323 MET H H 323 7.600 7.600 7.463 0.137 19038 967 1 3 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 968 1 3 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 969 1 3 . 1 1 330 330 ARG N N 330 119.300 119.300 117.084 2.216 19038 970 1 3 . 1 1 330 330 ARG H H 330 8.630 8.630 8.145 0.485 19038 971 1 3 . 1 1 332 332 ASN N N 332 117.000 117.000 117.438 -0.438 19038 972 1 3 . 1 1 332 332 ASN H H 332 7.830 7.830 8.158 -0.328 19038 973 1 3 . 1 1 333 333 ALA N N 333 124.700 124.700 125.331 -0.631 19038 974 1 3 . 1 1 333 333 ALA H H 333 8.510 8.510 8.606 -0.096 19038 975 1 3 . 1 1 334 334 CYS N N 334 123.200 123.200 118.643 4.557 19038 976 1 3 . 1 1 334 334 CYS H H 334 9.200 9.200 9.218 -0.018 19038 977 1 3 . 1 1 336 336 MET N N 336 116.200 116.200 114.138 2.062 19038 978 1 3 . 1 1 336 336 MET H H 336 8.750 8.750 8.064 0.686 19038 979 1 3 . 1 1 338 338 VAL N N 338 127.100 127.100 127.597 -0.497 19038 980 1 3 . 1 1 338 338 VAL H H 338 8.060 8.060 8.167 -0.107 19038 981 1 3 . 1 1 339 339 ASP N N 339 131.600 131.600 127.709 3.891 19038 982 1 3 . 1 1 339 339 ASP H H 339 10.090 10.090 8.842 1.248 19038 983 1 3 . 1 1 340 340 PHE N N 340 124.800 124.800 124.436 0.364 19038 984 1 3 . 1 1 340 340 PHE H H 340 9.520 9.520 8.734 0.786 19038 985 1 3 . 1 1 341 341 SER N N 341 116.500 116.500 112.022 4.478 19038 986 1 3 . 1 1 341 341 SER H H 341 8.670 8.670 7.938 0.732 19038 987 1 3 . 1 1 342 342 ARG N N 342 124.700 124.700 123.042 1.658 19038 988 1 3 . 1 1 342 342 ARG H H 342 7.170 7.170 7.541 -0.371 19038 989 1 3 . 1 1 347 347 HIS N N 347 121.900 121.900 120.952 0.948 19038 990 1 3 . 1 1 347 347 HIS H H 347 8.190 8.190 8.254 -0.064 19038 991 1 3 . 1 1 356 356 LEU N N 356 119.400 119.400 121.960 -2.560 19038 992 1 3 . 1 1 356 356 LEU H H 356 6.890 6.890 7.458 -0.568 19038 993 1 3 . 1 1 360 360 GLN N N 360 118.500 118.500 119.679 -1.179 19038 994 1 3 . 1 1 360 360 GLN H H 360 8.690 8.690 7.466 1.224 19038 995 1 3 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 996 1 3 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 997 1 3 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 998 1 3 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 999 1 3 . 1 1 382 382 SER N N 382 111.600 111.600 114.343 -2.743 19038 1000 1 3 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 1001 1 3 . 1 1 384 384 ALA N N 384 132.000 132.000 130.854 1.146 19038 1002 1 3 . 1 1 384 384 ALA H H 384 8.150 8.150 8.635 -0.485 19038 1003 1 3 . 1 1 387 387 ALA N N 387 124.100 124.100 123.897 0.203 19038 1004 1 3 . 1 1 387 387 ALA H H 387 7.580 7.580 7.667 -0.087 19038 1005 1 3 . 1 1 388 388 GLN N N 388 123.000 123.000 121.728 1.272 19038 1006 1 3 . 1 1 388 388 GLN H H 388 8.410 8.410 8.486 -0.076 19038 1007 1 3 . 1 1 389 389 ILE N N 389 127.100 127.100 124.739 2.361 19038 1008 1 3 . 1 1 389 389 ILE H H 389 8.580 8.580 8.524 0.056 19038 1009 1 3 . 1 1 390 390 GLN N N 390 130.000 130.000 126.536 3.464 19038 1010 1 3 . 1 1 390 390 GLN H H 390 9.520 9.520 8.785 0.735 19038 1011 1 3 . 1 1 391 391 HIS N N 391 125.800 125.800 121.397 4.403 19038 1012 1 3 . 1 1 391 391 HIS H H 391 9.010 9.010 8.652 0.358 19038 1013 1 3 . 1 1 392 392 LYS N N 392 119.200 119.200 119.577 -0.377 19038 1014 1 3 . 1 1 392 392 LYS H H 392 8.890 8.890 8.891 -0.001 19038 1015 1 3 . 1 1 394 394 GLY N N 394 110.200 110.200 108.859 1.341 19038 1016 1 3 . 1 1 394 394 GLY H H 394 6.690 6.690 7.967 -1.277 19038 1017 1 3 . 1 1 395 395 ILE N N 395 125.600 125.600 120.780 4.820 19038 1018 1 3 . 1 1 395 395 ILE H H 395 8.330 8.330 8.017 0.313 19038 1019 1 3 . 1 1 398 398 GLY N N 398 103.000 103.000 107.678 -4.678 19038 1020 1 3 . 1 1 398 398 GLY H H 398 8.500 8.500 8.444 0.056 19038 1021 1 3 . 1 1 400 400 GLN N N 400 126.200 126.200 126.266 -0.066 19038 1022 1 3 . 1 1 400 400 GLN H H 400 8.900 8.900 8.838 0.062 19038 1023 1 3 . 1 1 401 401 ALA N N 401 117.600 117.600 117.668 -0.068 19038 1024 1 3 . 1 1 401 401 ALA H H 401 7.290 7.290 7.810 -0.520 19038 1025 1 3 . 1 1 402 402 LEU N N 402 119.900 119.900 121.745 -1.845 19038 1026 1 3 . 1 1 402 402 LEU H H 402 8.620 8.620 8.610 0.010 19038 1027 1 3 . 1 1 405 405 VAL N N 405 114.400 114.400 113.898 0.502 19038 1028 1 3 . 1 1 405 405 VAL H H 405 9.210 9.210 9.015 0.195 19038 1029 1 3 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 1030 1 3 . 1 1 409 409 ALA H H 409 8.630 8.630 7.881 0.749 19038 1031 1 3 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 1032 1 3 . 1 1 410 410 THR H H 410 8.120 8.120 7.856 0.264 19038 1033 1 3 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 1034 1 3 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 1035 1 3 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 1036 1 3 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 1037 1 3 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 1038 1 3 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 1039 1 4 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 1040 1 4 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 1041 1 4 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 1042 1 4 . 1 1 14 14 LEU H H 14 8.400 8.400 8.233 0.167 19038 1043 1 4 . 1 1 17 17 HIS N N 17 111.900 111.900 115.147 -3.247 19038 1044 1 4 . 1 1 17 17 HIS H H 17 7.620 7.620 7.773 -0.153 19038 1045 1 4 . 1 1 18 18 VAL N N 18 127.700 127.700 123.312 4.388 19038 1046 1 4 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 1047 1 4 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 1048 1 4 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 1049 1 4 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 1050 1 4 . 1 1 21 21 HIS H H 21 7.830 7.830 8.284 -0.454 19038 1051 1 4 . 1 1 22 22 LEU N N 22 119.300 119.300 119.787 -0.487 19038 1052 1 4 . 1 1 22 22 LEU H H 22 7.140 7.140 7.317 -0.177 19038 1053 1 4 . 1 1 23 23 VAL N N 23 120.900 120.900 120.675 0.225 19038 1054 1 4 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 1055 1 4 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 1056 1 4 . 1 1 24 24 PHE H H 24 9.200 9.200 8.817 0.383 19038 1057 1 4 . 1 1 25 25 ASP N N 25 126.600 126.600 129.536 -2.936 19038 1058 1 4 . 1 1 25 25 ASP H H 25 8.100 8.100 8.387 -0.287 19038 1059 1 4 . 1 1 26 26 PHE N N 26 125.200 125.200 123.457 1.743 19038 1060 1 4 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 1061 1 4 . 1 1 27 27 ASP N N 27 133.400 133.400 128.832 4.568 19038 1062 1 4 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 1063 1 4 . 1 1 30 30 ASN N N 30 116.600 116.600 117.241 -0.641 19038 1064 1 4 . 1 1 30 30 ASN H H 30 6.670 6.670 7.372 -0.702 19038 1065 1 4 . 1 1 34 34 LEU N N 34 120.200 120.200 122.732 -2.532 19038 1066 1 4 . 1 1 34 34 LEU H H 34 7.180 7.180 7.520 -0.340 19038 1067 1 4 . 1 1 35 35 SER N N 35 114.900 114.900 114.915 -0.015 19038 1068 1 4 . 1 1 35 35 SER H H 35 8.540 8.540 8.541 -0.001 19038 1069 1 4 . 1 1 36 36 ALA N N 36 124.900 124.900 123.017 1.883 19038 1070 1 4 . 1 1 36 36 ALA H H 36 7.770 7.770 7.354 0.416 19038 1071 1 4 . 1 1 37 37 GLY N N 37 110.000 110.000 105.259 4.741 19038 1072 1 4 . 1 1 37 37 GLY H H 37 7.370 7.370 7.338 0.032 19038 1073 1 4 . 1 1 39 39 GLN N N 39 122.900 122.900 117.737 5.163 19038 1074 1 4 . 1 1 39 39 GLN H H 39 7.700 7.700 8.940 -1.240 19038 1075 1 4 . 1 1 40 40 GLU N N 40 121.500 121.500 119.587 1.913 19038 1076 1 4 . 1 1 40 40 GLU H H 40 9.850 9.850 8.295 1.555 19038 1077 1 4 . 1 1 44 44 VAL N N 44 120.000 120.000 116.710 3.290 19038 1078 1 4 . 1 1 44 44 VAL H H 44 7.090 7.090 7.492 -0.402 19038 1079 1 4 . 1 1 46 46 GLN N N 46 112.500 112.500 114.751 -2.251 19038 1080 1 4 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 1081 1 4 . 1 1 47 47 GLU N N 47 121.500 121.500 121.537 -0.037 19038 1082 1 4 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 1083 1 4 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 1084 1 4 . 1 1 48 48 SER H H 48 8.560 8.560 8.813 -0.253 19038 1085 1 4 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 1086 1 4 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 1087 1 4 . 1 1 50 50 VAL N N 50 126.200 126.200 123.638 2.562 19038 1088 1 4 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 1089 1 4 . 1 1 52 52 ASP N N 52 118.000 118.000 117.605 0.395 19038 1090 1 4 . 1 1 52 52 ASP H H 52 8.040 8.040 8.467 -0.427 19038 1091 1 4 . 1 1 54 54 VAL N N 54 114.000 114.000 120.506 -6.506 19038 1092 1 4 . 1 1 54 54 VAL H H 54 8.530 8.530 8.027 0.503 19038 1093 1 4 . 1 1 55 55 TRP N N 55 123.300 123.300 123.109 0.191 19038 1094 1 4 . 1 1 55 55 TRP H H 55 8.920 8.920 9.314 -0.394 19038 1095 1 4 . 1 1 56 56 THR N N 56 120.300 120.300 122.418 -2.118 19038 1096 1 4 . 1 1 56 56 THR H H 56 7.860 7.860 7.845 0.015 19038 1097 1 4 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 1098 1 4 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 1099 1 4 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 1100 1 4 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 1101 1 4 . 1 1 61 61 GLY N N 61 112.200 112.200 110.004 2.196 19038 1102 1 4 . 1 1 61 61 GLY H H 61 7.430 7.430 7.722 -0.292 19038 1103 1 4 . 1 1 62 62 HIS N N 62 121.900 121.900 115.745 6.155 19038 1104 1 4 . 1 1 62 62 HIS H H 62 7.100 7.100 6.851 0.249 19038 1105 1 4 . 1 1 64 64 ILE N N 64 126.000 126.000 119.880 6.120 19038 1106 1 4 . 1 1 64 64 ILE H H 64 10.360 10.360 8.942 1.418 19038 1107 1 4 . 1 1 65 65 ALA N N 65 128.900 128.900 131.121 -2.221 19038 1108 1 4 . 1 1 65 65 ALA H H 65 7.840 7.840 8.113 -0.273 19038 1109 1 4 . 1 1 66 66 THR N N 66 109.300 109.300 115.553 -6.253 19038 1110 1 4 . 1 1 66 66 THR H H 66 8.600 8.600 8.640 -0.040 19038 1111 1 4 . 1 1 67 67 ARG N N 67 115.000 115.000 120.515 -5.515 19038 1112 1 4 . 1 1 67 67 ARG H H 67 6.420 6.420 7.296 -0.876 19038 1113 1 4 . 1 1 68 68 GLY N N 68 112.600 112.600 109.937 2.663 19038 1114 1 4 . 1 1 68 68 GLY H H 68 10.340 10.340 9.269 1.071 19038 1115 1 4 . 1 1 69 69 GLN N N 69 120.100 120.100 121.129 -1.029 19038 1116 1 4 . 1 1 69 69 GLN H H 69 8.910 8.910 8.114 0.796 19038 1117 1 4 . 1 1 70 70 LEU N N 70 117.400 117.400 119.224 -1.824 19038 1118 1 4 . 1 1 70 70 LEU H H 70 6.410 6.410 7.836 -1.426 19038 1119 1 4 . 1 1 73 73 GLU N N 73 115.100 115.100 119.602 -4.502 19038 1120 1 4 . 1 1 73 73 GLU H H 73 7.780 7.780 7.837 -0.057 19038 1121 1 4 . 1 1 74 74 ALA N N 74 121.500 121.500 121.395 0.105 19038 1122 1 4 . 1 1 74 74 ALA H H 74 8.150 8.150 7.744 0.406 19038 1123 1 4 . 1 1 78 78 TYR N N 78 121.800 121.800 122.772 -0.972 19038 1124 1 4 . 1 1 78 78 TYR H H 78 7.350 7.350 7.745 -0.395 19038 1125 1 4 . 1 1 83 83 SER N N 83 127.400 127.400 121.704 5.696 19038 1126 1 4 . 1 1 83 83 SER H H 83 9.970 9.970 9.388 0.582 19038 1127 1 4 . 1 1 85 85 CYS N N 85 111.600 111.600 116.954 -5.354 19038 1128 1 4 . 1 1 85 85 CYS H H 85 5.690 5.690 7.942 -2.252 19038 1129 1 4 . 1 1 90 90 ARG N N 90 124.800 124.800 127.215 -2.415 19038 1130 1 4 . 1 1 90 90 ARG H H 90 9.410 9.410 8.821 0.589 19038 1131 1 4 . 1 1 91 91 GLU N N 91 116.300 116.300 116.130 0.170 19038 1132 1 4 . 1 1 91 91 GLU H H 91 9.340 9.340 8.565 0.775 19038 1133 1 4 . 1 1 92 92 ALA N N 92 123.600 123.600 122.329 1.271 19038 1134 1 4 . 1 1 92 92 ALA H H 92 7.120 7.120 8.611 -1.491 19038 1135 1 4 . 1 1 93 93 GLY N N 93 104.600 104.600 106.350 -1.750 19038 1136 1 4 . 1 1 93 93 GLY H H 93 7.350 7.350 7.721 -0.371 19038 1137 1 4 . 1 1 95 95 ALA N N 95 120.400 120.400 121.640 -1.240 19038 1138 1 4 . 1 1 95 95 ALA H H 95 6.820 6.820 7.484 -0.664 19038 1139 1 4 . 1 1 96 96 TYR N N 96 121.800 121.800 120.712 1.088 19038 1140 1 4 . 1 1 96 96 TYR H H 96 7.300 7.300 7.412 -0.112 19038 1141 1 4 . 1 1 107 107 GLU N N 107 128.200 128.200 118.863 9.337 19038 1142 1 4 . 1 1 107 107 GLU H H 107 8.760 8.760 8.412 0.348 19038 1143 1 4 . 1 1 109 109 ARG N N 109 119.400 119.400 119.876 -0.476 19038 1144 1 4 . 1 1 109 109 ARG H H 109 7.590 7.590 8.201 -0.611 19038 1145 1 4 . 1 1 111 111 PHE N N 111 118.100 118.100 117.908 0.192 19038 1146 1 4 . 1 1 111 111 PHE H H 111 7.130 7.130 7.765 -0.635 19038 1147 1 4 . 1 1 126 126 LYS N N 126 119.200 119.200 120.309 -1.109 19038 1148 1 4 . 1 1 126 126 LYS H H 126 7.220 7.220 7.459 -0.239 19038 1149 1 4 . 1 1 130 130 ARG N N 130 121.500 121.500 119.671 1.829 19038 1150 1 4 . 1 1 130 130 ARG H H 130 7.790 7.790 8.245 -0.455 19038 1151 1 4 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 1152 1 4 . 1 1 137 137 SER H H 137 8.320 8.320 8.248 0.072 19038 1153 1 4 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 1154 1 4 . 1 1 140 140 GLU H H 140 8.590 8.590 8.079 0.511 19038 1155 1 4 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 1156 1 4 . 1 1 141 141 SER H H 141 7.480 7.480 7.877 -0.397 19038 1157 1 4 . 1 1 145 145 GLN N N 145 114.300 114.300 118.179 -3.879 19038 1158 1 4 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 1159 1 4 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 1160 1 4 . 1 1 146 146 GLY H H 146 6.490 6.490 7.892 -1.402 19038 1161 1 4 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 1162 1 4 . 1 1 147 147 GLN H H 147 5.880 5.880 6.833 -0.953 19038 1163 1 4 . 1 1 148 148 CYS N N 148 110.800 110.800 115.358 -4.558 19038 1164 1 4 . 1 1 148 148 CYS H H 148 8.230 8.230 8.541 -0.311 19038 1165 1 4 . 1 1 149 149 ASN N N 149 120.100 120.100 121.073 -0.973 19038 1166 1 4 . 1 1 149 149 ASN H H 149 9.130 9.130 9.073 0.057 19038 1167 1 4 . 1 1 150 150 PHE N N 150 124.300 124.300 125.444 -1.144 19038 1168 1 4 . 1 1 150 150 PHE H H 150 9.280 9.280 8.074 1.206 19038 1169 1 4 . 1 1 151 151 THR N N 151 109.000 109.000 110.574 -1.574 19038 1170 1 4 . 1 1 151 151 THR H H 151 7.180 7.180 8.227 -1.047 19038 1171 1 4 . 1 1 152 152 GLU N N 152 119.000 119.000 120.519 -1.519 19038 1172 1 4 . 1 1 152 152 GLU H H 152 6.250 6.250 7.791 -1.541 19038 1173 1 4 . 1 1 153 153 ASP N N 153 115.000 115.000 117.734 -2.734 19038 1174 1 4 . 1 1 153 153 ASP H H 153 8.580 8.580 8.370 0.210 19038 1175 1 4 . 1 1 154 154 TYR N N 154 116.500 116.500 118.353 -1.853 19038 1176 1 4 . 1 1 154 154 TYR H H 154 7.160 7.160 7.636 -0.476 19038 1177 1 4 . 1 1 156 156 GLU N N 156 106.900 106.900 117.008 -10.108 19038 1178 1 4 . 1 1 156 156 GLU H H 156 7.570 7.570 7.727 -0.157 19038 1179 1 4 . 1 1 163 163 PHE N N 163 121.800 121.800 121.927 -0.127 19038 1180 1 4 . 1 1 163 163 PHE H H 163 7.950 7.950 7.471 0.479 19038 1181 1 4 . 1 1 168 168 GLY N N 168 109.500 109.500 106.298 3.202 19038 1182 1 4 . 1 1 168 168 GLY H H 168 7.900 7.900 7.560 0.340 19038 1183 1 4 . 1 1 169 169 LEU N N 169 122.800 122.800 119.997 2.803 19038 1184 1 4 . 1 1 169 169 LEU H H 169 8.490 8.490 8.079 0.411 19038 1185 1 4 . 1 1 171 171 GLU N N 171 123.500 123.500 123.464 0.036 19038 1186 1 4 . 1 1 171 171 GLU H H 171 8.790 8.790 9.026 -0.236 19038 1187 1 4 . 1 1 172 172 GLU N N 172 120.500 120.500 118.333 2.167 19038 1188 1 4 . 1 1 172 172 GLU H H 172 9.410 9.410 8.557 0.853 19038 1189 1 4 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 1190 1 4 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 1191 1 4 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 1192 1 4 . 1 1 193 193 PHE H H 193 8.550 8.550 8.642 -0.092 19038 1193 1 4 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 1194 1 4 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 1195 1 4 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 1196 1 4 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 1197 1 4 . 1 1 200 200 LEU N N 200 124.400 124.400 120.126 4.274 19038 1198 1 4 . 1 1 200 200 LEU H H 200 7.850 7.850 7.635 0.215 19038 1199 1 4 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 1200 1 4 . 1 1 207 207 ILE H H 207 6.540 6.540 7.009 -0.469 19038 1201 1 4 . 1 1 209 209 GLU N N 209 117.200 117.200 119.667 -2.467 19038 1202 1 4 . 1 1 209 209 GLU H H 209 7.690 7.690 7.683 0.007 19038 1203 1 4 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 1204 1 4 . 1 1 214 214 LYS H H 214 8.040 8.040 8.149 -0.109 19038 1205 1 4 . 1 1 216 216 GLY N N 216 111.500 111.500 111.371 0.129 19038 1206 1 4 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 1207 1 4 . 1 1 219 219 ALA N N 219 118.900 118.900 121.639 -2.739 19038 1208 1 4 . 1 1 219 219 ALA H H 219 8.540 8.540 8.408 0.132 19038 1209 1 4 . 1 1 223 223 VAL N N 223 119.500 119.500 118.875 0.625 19038 1210 1 4 . 1 1 223 223 VAL H H 223 7.900 7.900 8.134 -0.234 19038 1211 1 4 . 1 1 224 224 ALA N N 224 116.800 116.800 122.675 -5.875 19038 1212 1 4 . 1 1 224 224 ALA H H 224 9.020 9.020 8.370 0.650 19038 1213 1 4 . 1 1 226 226 GLY N N 226 110.200 110.200 107.953 2.247 19038 1214 1 4 . 1 1 226 226 GLY H H 226 7.700 7.700 7.409 0.291 19038 1215 1 4 . 1 1 227 227 GLN N N 227 118.700 118.700 118.247 0.453 19038 1216 1 4 . 1 1 227 227 GLN H H 227 8.170 8.170 8.353 -0.183 19038 1217 1 4 . 1 1 228 228 VAL N N 228 117.900 117.900 118.817 -0.917 19038 1218 1 4 . 1 1 228 228 VAL H H 228 8.900 8.900 9.007 -0.107 19038 1219 1 4 . 1 1 229 229 ASN N N 229 121.900 121.900 127.041 -5.141 19038 1220 1 4 . 1 1 229 229 ASN H H 229 8.900 8.900 9.147 -0.247 19038 1221 1 4 . 1 1 230 230 GLY N N 230 103.600 103.600 101.742 1.858 19038 1222 1 4 . 1 1 230 230 GLY H H 230 8.580 8.580 8.413 0.167 19038 1223 1 4 . 1 1 231 231 ARG N N 231 119.300 119.300 120.012 -0.712 19038 1224 1 4 . 1 1 231 231 ARG H H 231 7.950 7.950 7.592 0.358 19038 1225 1 4 . 1 1 233 233 ILE N N 233 127.400 127.400 127.437 -0.037 19038 1226 1 4 . 1 1 233 233 ILE H H 233 8.250 8.250 8.356 -0.106 19038 1227 1 4 . 1 1 238 238 ALA N N 238 119.900 119.900 122.098 -2.198 19038 1228 1 4 . 1 1 238 238 ALA H H 238 8.610 8.610 8.164 0.446 19038 1229 1 4 . 1 1 239 239 LYS N N 239 122.500 122.500 118.693 3.807 19038 1230 1 4 . 1 1 239 239 LYS H H 239 8.180 8.180 7.958 0.222 19038 1231 1 4 . 1 1 241 241 MET N N 241 120.400 120.400 120.698 -0.298 19038 1232 1 4 . 1 1 241 241 MET H H 241 8.140 8.140 7.912 0.228 19038 1233 1 4 . 1 1 243 243 GLY N N 243 106.400 106.400 107.915 -1.515 19038 1234 1 4 . 1 1 243 243 GLY H H 243 8.740 8.740 8.205 0.535 19038 1235 1 4 . 1 1 254 254 VAL N N 254 118.500 118.500 119.155 -0.655 19038 1236 1 4 . 1 1 254 254 VAL H H 254 7.060 7.060 8.409 -1.349 19038 1237 1 4 . 1 1 260 260 SER N N 260 109.100 109.100 114.993 -5.893 19038 1238 1 4 . 1 1 260 260 SER H H 260 7.030 7.030 7.733 -0.703 19038 1239 1 4 . 1 1 261 261 MET N N 261 118.900 118.900 119.931 -1.031 19038 1240 1 4 . 1 1 261 261 MET H H 261 6.470 6.470 7.994 -1.524 19038 1241 1 4 . 1 1 266 266 LYS N N 266 116.400 116.400 116.354 0.046 19038 1242 1 4 . 1 1 266 266 LYS H H 266 7.260 7.260 7.287 -0.027 19038 1243 1 4 . 1 1 267 267 SER N N 267 114.800 114.800 114.609 0.191 19038 1244 1 4 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 1245 1 4 . 1 1 269 269 GLU N N 269 117.700 117.700 118.984 -1.284 19038 1246 1 4 . 1 1 269 269 GLU H H 269 8.990 8.990 8.586 0.404 19038 1247 1 4 . 1 1 271 271 ARG N N 271 117.900 117.900 119.295 -1.395 19038 1248 1 4 . 1 1 271 271 ARG H H 271 7.550 7.550 7.739 -0.189 19038 1249 1 4 . 1 1 273 273 GLU N N 273 119.200 119.200 120.702 -1.502 19038 1250 1 4 . 1 1 273 273 GLU H H 273 7.470 7.470 7.791 -0.321 19038 1251 1 4 . 1 1 274 274 LEU N N 274 115.700 115.700 118.589 -2.889 19038 1252 1 4 . 1 1 274 274 LEU H H 274 6.990 6.990 7.673 -0.683 19038 1253 1 4 . 1 1 275 275 ILE N N 275 122.000 122.000 118.918 3.082 19038 1254 1 4 . 1 1 275 275 ILE H H 275 7.570 7.570 7.922 -0.352 19038 1255 1 4 . 1 1 276 276 GLN N N 276 116.600 116.600 118.763 -2.163 19038 1256 1 4 . 1 1 276 276 GLN H H 276 7.500 7.500 8.033 -0.533 19038 1257 1 4 . 1 1 279 279 GLU N N 279 122.500 122.500 117.600 4.900 19038 1258 1 4 . 1 1 279 279 GLU H H 279 10.010 10.010 8.852 1.158 19038 1259 1 4 . 1 1 280 280 ARG N N 280 121.300 121.300 118.233 3.067 19038 1260 1 4 . 1 1 280 280 ARG H H 280 8.500 8.500 7.468 1.032 19038 1261 1 4 . 1 1 284 284 ALA N N 284 123.100 123.100 121.697 1.403 19038 1262 1 4 . 1 1 284 284 ALA H H 284 8.510 8.510 8.246 0.264 19038 1263 1 4 . 1 1 291 291 ARG N N 291 119.500 119.500 120.790 -1.290 19038 1264 1 4 . 1 1 291 291 ARG H H 291 8.210 8.210 7.799 0.411 19038 1265 1 4 . 1 1 292 292 PHE N N 292 115.500 115.500 117.256 -1.756 19038 1266 1 4 . 1 1 292 292 PHE H H 292 8.570 8.570 7.790 0.780 19038 1267 1 4 . 1 1 293 293 SER N N 293 110.600 110.600 115.959 -5.359 19038 1268 1 4 . 1 1 293 293 SER H H 293 5.950 5.950 7.432 -1.482 19038 1269 1 4 . 1 1 299 299 ARG N N 299 117.700 117.700 117.337 0.363 19038 1270 1 4 . 1 1 299 299 ARG H H 299 8.260 8.260 8.288 -0.028 19038 1271 1 4 . 1 1 300 300 ILE N N 300 122.000 122.000 120.207 1.793 19038 1272 1 4 . 1 1 300 300 ILE H H 300 9.560 9.560 8.442 1.118 19038 1273 1 4 . 1 1 301 301 LEU N N 301 131.900 131.900 128.508 3.392 19038 1274 1 4 . 1 1 301 301 LEU H H 301 8.800 8.800 8.938 -0.138 19038 1275 1 4 . 1 1 302 302 THR N N 302 116.800 116.800 116.144 0.656 19038 1276 1 4 . 1 1 302 302 THR H H 302 8.680 8.680 8.815 -0.135 19038 1277 1 4 . 1 1 303 303 SER N N 303 112.900 112.900 115.372 -2.472 19038 1278 1 4 . 1 1 303 303 SER H H 303 7.500 7.500 7.483 0.017 19038 1279 1 4 . 1 1 304 304 ASP N N 304 121.800 121.800 121.110 0.690 19038 1280 1 4 . 1 1 304 304 ASP H H 304 8.500 8.500 8.589 -0.089 19038 1281 1 4 . 1 1 305 305 TYR N N 305 126.500 126.500 123.408 3.092 19038 1282 1 4 . 1 1 305 305 TYR H H 305 8.390 8.390 8.486 -0.096 19038 1283 1 4 . 1 1 306 306 GLU N N 306 130.500 130.500 128.993 1.507 19038 1284 1 4 . 1 1 306 306 GLU H H 306 7.720 7.720 8.319 -0.599 19038 1285 1 4 . 1 1 307 307 PHE N N 307 130.200 130.200 128.930 1.270 19038 1286 1 4 . 1 1 307 307 PHE H H 307 8.480 8.480 8.629 -0.149 19038 1287 1 4 . 1 1 308 308 HIS N N 308 124.200 124.200 126.286 -2.086 19038 1288 1 4 . 1 1 308 308 HIS H H 308 8.980 8.980 8.834 0.146 19038 1289 1 4 . 1 1 309 309 GLY N N 309 102.900 102.900 103.447 -0.547 19038 1290 1 4 . 1 1 309 309 GLY H H 309 8.360 8.360 8.225 0.135 19038 1291 1 4 . 1 1 310 310 VAL N N 310 124.100 124.100 121.335 2.765 19038 1292 1 4 . 1 1 310 310 VAL H H 310 7.500 7.500 7.248 0.252 19038 1293 1 4 . 1 1 311 311 GLN N N 311 126.400 126.400 125.160 1.240 19038 1294 1 4 . 1 1 311 311 GLN H H 311 8.400 8.400 8.594 -0.194 19038 1295 1 4 . 1 1 312 312 LEU N N 312 128.800 128.800 126.150 2.650 19038 1296 1 4 . 1 1 312 312 LEU H H 312 8.630 8.630 8.378 0.252 19038 1297 1 4 . 1 1 313 313 LYS N N 313 125.100 125.100 121.583 3.517 19038 1298 1 4 . 1 1 313 313 LYS H H 313 8.550 8.550 8.957 -0.407 19038 1299 1 4 . 1 1 314 314 LYS N N 314 122.300 122.300 126.444 -4.144 19038 1300 1 4 . 1 1 314 314 LYS H H 314 8.730 8.730 8.916 -0.186 19038 1301 1 4 . 1 1 315 315 GLY N N 315 117.700 117.700 115.305 2.395 19038 1302 1 4 . 1 1 315 315 GLY H H 315 8.590 8.590 9.017 -0.426 19038 1303 1 4 . 1 1 316 316 ASP N N 316 123.100 123.100 123.050 0.050 19038 1304 1 4 . 1 1 316 316 ASP H H 316 8.960 8.960 8.350 0.610 19038 1305 1 4 . 1 1 317 317 GLN N N 317 119.300 119.300 121.614 -2.314 19038 1306 1 4 . 1 1 317 317 GLN H H 317 9.500 9.500 9.017 0.483 19038 1307 1 4 . 1 1 319 319 LEU N N 319 131.600 131.600 130.550 1.050 19038 1308 1 4 . 1 1 319 319 LEU H H 319 9.090 9.090 9.202 -0.112 19038 1309 1 4 . 1 1 320 320 LEU N N 320 132.200 132.200 128.697 3.503 19038 1310 1 4 . 1 1 320 320 LEU H H 320 8.860 8.860 7.950 0.910 19038 1311 1 4 . 1 1 323 323 MET N N 323 113.300 113.300 118.626 -5.326 19038 1312 1 4 . 1 1 323 323 MET H H 323 7.600 7.600 7.329 0.271 19038 1313 1 4 . 1 1 329 329 GLU N N 329 132.500 132.500 127.063 5.437 19038 1314 1 4 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 1315 1 4 . 1 1 330 330 ARG N N 330 119.300 119.300 117.002 2.298 19038 1316 1 4 . 1 1 330 330 ARG H H 330 8.630 8.630 8.144 0.486 19038 1317 1 4 . 1 1 332 332 ASN N N 332 117.000 117.000 117.702 -0.702 19038 1318 1 4 . 1 1 332 332 ASN H H 332 7.830 7.830 8.145 -0.315 19038 1319 1 4 . 1 1 333 333 ALA N N 333 124.700 124.700 125.332 -0.632 19038 1320 1 4 . 1 1 333 333 ALA H H 333 8.510 8.510 8.602 -0.092 19038 1321 1 4 . 1 1 334 334 CYS N N 334 123.200 123.200 118.640 4.560 19038 1322 1 4 . 1 1 334 334 CYS H H 334 9.200 9.200 9.215 -0.015 19038 1323 1 4 . 1 1 336 336 MET N N 336 116.200 116.200 114.134 2.066 19038 1324 1 4 . 1 1 336 336 MET H H 336 8.750 8.750 8.060 0.690 19038 1325 1 4 . 1 1 338 338 VAL N N 338 127.100 127.100 127.589 -0.489 19038 1326 1 4 . 1 1 338 338 VAL H H 338 8.060 8.060 8.160 -0.100 19038 1327 1 4 . 1 1 339 339 ASP N N 339 131.600 131.600 127.694 3.906 19038 1328 1 4 . 1 1 339 339 ASP H H 339 10.090 10.090 8.823 1.267 19038 1329 1 4 . 1 1 340 340 PHE N N 340 124.800 124.800 124.421 0.379 19038 1330 1 4 . 1 1 340 340 PHE H H 340 9.520 9.520 8.722 0.798 19038 1331 1 4 . 1 1 341 341 SER N N 341 116.500 116.500 112.009 4.491 19038 1332 1 4 . 1 1 341 341 SER H H 341 8.670 8.670 7.926 0.744 19038 1333 1 4 . 1 1 342 342 ARG N N 342 124.700 124.700 123.031 1.669 19038 1334 1 4 . 1 1 342 342 ARG H H 342 7.170 7.170 7.520 -0.350 19038 1335 1 4 . 1 1 347 347 HIS N N 347 121.900 121.900 120.088 1.812 19038 1336 1 4 . 1 1 347 347 HIS H H 347 8.190 8.190 8.636 -0.446 19038 1337 1 4 . 1 1 356 356 LEU N N 356 119.400 119.400 121.184 -1.784 19038 1338 1 4 . 1 1 356 356 LEU H H 356 6.890 6.890 7.488 -0.598 19038 1339 1 4 . 1 1 360 360 GLN N N 360 118.500 118.500 119.659 -1.159 19038 1340 1 4 . 1 1 360 360 GLN H H 360 8.690 8.690 7.411 1.279 19038 1341 1 4 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 1342 1 4 . 1 1 380 380 ASP H H 380 8.130 8.130 8.133 -0.003 19038 1343 1 4 . 1 1 381 381 PHE N N 381 119.400 119.400 119.209 0.191 19038 1344 1 4 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 1345 1 4 . 1 1 382 382 SER N N 382 111.600 111.600 114.344 -2.744 19038 1346 1 4 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 1347 1 4 . 1 1 384 384 ALA N N 384 132.000 132.000 130.855 1.145 19038 1348 1 4 . 1 1 384 384 ALA H H 384 8.150 8.150 8.637 -0.487 19038 1349 1 4 . 1 1 387 387 ALA N N 387 124.100 124.100 123.898 0.202 19038 1350 1 4 . 1 1 387 387 ALA H H 387 7.580 7.580 7.668 -0.088 19038 1351 1 4 . 1 1 388 388 GLN N N 388 123.000 123.000 121.729 1.271 19038 1352 1 4 . 1 1 388 388 GLN H H 388 8.410 8.410 8.487 -0.077 19038 1353 1 4 . 1 1 389 389 ILE N N 389 127.100 127.100 124.740 2.360 19038 1354 1 4 . 1 1 389 389 ILE H H 389 8.580 8.580 8.526 0.054 19038 1355 1 4 . 1 1 390 390 GLN N N 390 130.000 130.000 126.538 3.462 19038 1356 1 4 . 1 1 390 390 GLN H H 390 9.520 9.520 8.787 0.733 19038 1357 1 4 . 1 1 391 391 HIS N N 391 125.800 125.800 121.400 4.400 19038 1358 1 4 . 1 1 391 391 HIS H H 391 9.010 9.010 8.655 0.355 19038 1359 1 4 . 1 1 392 392 LYS N N 392 119.200 119.200 119.580 -0.380 19038 1360 1 4 . 1 1 392 392 LYS H H 392 8.890 8.890 8.894 -0.004 19038 1361 1 4 . 1 1 394 394 GLY N N 394 110.200 110.200 108.860 1.340 19038 1362 1 4 . 1 1 394 394 GLY H H 394 6.690 6.690 7.969 -1.279 19038 1363 1 4 . 1 1 395 395 ILE N N 395 125.600 125.600 120.780 4.820 19038 1364 1 4 . 1 1 395 395 ILE H H 395 8.330 8.330 8.017 0.313 19038 1365 1 4 . 1 1 398 398 GLY N N 398 103.000 103.000 107.684 -4.684 19038 1366 1 4 . 1 1 398 398 GLY H H 398 8.500 8.500 8.448 0.052 19038 1367 1 4 . 1 1 400 400 GLN N N 400 126.200 126.200 126.269 -0.069 19038 1368 1 4 . 1 1 400 400 GLN H H 400 8.900 8.900 8.841 0.059 19038 1369 1 4 . 1 1 401 401 ALA N N 401 117.600 117.600 117.671 -0.071 19038 1370 1 4 . 1 1 401 401 ALA H H 401 7.290 7.290 7.813 -0.523 19038 1371 1 4 . 1 1 402 402 LEU N N 402 119.900 119.900 121.747 -1.847 19038 1372 1 4 . 1 1 402 402 LEU H H 402 8.620 8.620 8.612 0.008 19038 1373 1 4 . 1 1 405 405 VAL N N 405 114.400 114.400 113.899 0.501 19038 1374 1 4 . 1 1 405 405 VAL H H 405 9.210 9.210 9.016 0.194 19038 1375 1 4 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 1376 1 4 . 1 1 409 409 ALA H H 409 8.630 8.630 7.882 0.748 19038 1377 1 4 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 1378 1 4 . 1 1 410 410 THR H H 410 8.120 8.120 7.857 0.263 19038 1379 1 4 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 1380 1 4 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 1381 1 4 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 1382 1 4 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 1383 1 4 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 1384 1 4 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 1385 1 5 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 1386 1 5 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 1387 1 5 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 1388 1 5 . 1 1 14 14 LEU H H 14 8.400 8.400 8.234 0.166 19038 1389 1 5 . 1 1 17 17 HIS N N 17 111.900 111.900 115.148 -3.248 19038 1390 1 5 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 1391 1 5 . 1 1 18 18 VAL N N 18 127.700 127.700 123.313 4.387 19038 1392 1 5 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 1393 1 5 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 1394 1 5 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 1395 1 5 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 1396 1 5 . 1 1 21 21 HIS H H 21 7.830 7.830 8.284 -0.454 19038 1397 1 5 . 1 1 22 22 LEU N N 22 119.300 119.300 119.787 -0.487 19038 1398 1 5 . 1 1 22 22 LEU H H 22 7.140 7.140 7.317 -0.177 19038 1399 1 5 . 1 1 23 23 VAL N N 23 120.900 120.900 120.676 0.224 19038 1400 1 5 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 1401 1 5 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 1402 1 5 . 1 1 24 24 PHE H H 24 9.200 9.200 8.817 0.383 19038 1403 1 5 . 1 1 25 25 ASP N N 25 126.600 126.600 129.536 -2.936 19038 1404 1 5 . 1 1 25 25 ASP H H 25 8.100 8.100 8.388 -0.288 19038 1405 1 5 . 1 1 26 26 PHE N N 26 125.200 125.200 123.457 1.743 19038 1406 1 5 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 1407 1 5 . 1 1 27 27 ASP N N 27 133.400 133.400 128.832 4.568 19038 1408 1 5 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 1409 1 5 . 1 1 30 30 ASN N N 30 116.600 116.600 117.240 -0.640 19038 1410 1 5 . 1 1 30 30 ASN H H 30 6.670 6.670 7.371 -0.701 19038 1411 1 5 . 1 1 34 34 LEU N N 34 120.200 120.200 122.730 -2.530 19038 1412 1 5 . 1 1 34 34 LEU H H 34 7.180 7.180 7.518 -0.338 19038 1413 1 5 . 1 1 35 35 SER N N 35 114.900 114.900 114.914 -0.014 19038 1414 1 5 . 1 1 35 35 SER H H 35 8.540 8.540 8.540 0.000 19038 1415 1 5 . 1 1 36 36 ALA N N 36 124.900 124.900 123.015 1.885 19038 1416 1 5 . 1 1 36 36 ALA H H 36 7.770 7.770 7.352 0.418 19038 1417 1 5 . 1 1 37 37 GLY N N 37 110.000 110.000 105.257 4.743 19038 1418 1 5 . 1 1 37 37 GLY H H 37 7.370 7.370 7.336 0.034 19038 1419 1 5 . 1 1 39 39 GLN N N 39 122.900 122.900 117.732 5.168 19038 1420 1 5 . 1 1 39 39 GLN H H 39 7.700 7.700 8.934 -1.234 19038 1421 1 5 . 1 1 40 40 GLU N N 40 121.500 121.500 119.584 1.916 19038 1422 1 5 . 1 1 40 40 GLU H H 40 9.850 9.850 8.292 1.558 19038 1423 1 5 . 1 1 44 44 VAL N N 44 120.000 120.000 116.709 3.291 19038 1424 1 5 . 1 1 44 44 VAL H H 44 7.090 7.090 7.490 -0.400 19038 1425 1 5 . 1 1 46 46 GLN N N 46 112.500 112.500 114.751 -2.251 19038 1426 1 5 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 1427 1 5 . 1 1 47 47 GLU N N 47 121.500 121.500 121.537 -0.037 19038 1428 1 5 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 1429 1 5 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 1430 1 5 . 1 1 48 48 SER H H 48 8.560 8.560 8.813 -0.253 19038 1431 1 5 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 1432 1 5 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 1433 1 5 . 1 1 50 50 VAL N N 50 126.200 126.200 123.638 2.562 19038 1434 1 5 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 1435 1 5 . 1 1 52 52 ASP N N 52 118.000 118.000 117.606 0.394 19038 1436 1 5 . 1 1 52 52 ASP H H 52 8.040 8.040 8.468 -0.428 19038 1437 1 5 . 1 1 54 54 VAL N N 54 114.000 114.000 120.507 -6.507 19038 1438 1 5 . 1 1 54 54 VAL H H 54 8.530 8.530 8.028 0.502 19038 1439 1 5 . 1 1 55 55 TRP N N 55 123.300 123.300 123.110 0.190 19038 1440 1 5 . 1 1 55 55 TRP H H 55 8.920 8.920 9.314 -0.394 19038 1441 1 5 . 1 1 56 56 THR N N 56 120.300 120.300 122.419 -2.119 19038 1442 1 5 . 1 1 56 56 THR H H 56 7.860 7.860 7.846 0.014 19038 1443 1 5 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 1444 1 5 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 1445 1 5 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 1446 1 5 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 1447 1 5 . 1 1 61 61 GLY N N 61 112.200 112.200 110.004 2.196 19038 1448 1 5 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 1449 1 5 . 1 1 62 62 HIS N N 62 121.900 121.900 115.746 6.154 19038 1450 1 5 . 1 1 62 62 HIS H H 62 7.100 7.100 6.852 0.248 19038 1451 1 5 . 1 1 64 64 ILE N N 64 126.000 126.000 119.882 6.118 19038 1452 1 5 . 1 1 64 64 ILE H H 64 10.360 10.360 8.944 1.416 19038 1453 1 5 . 1 1 65 65 ALA N N 65 128.900 128.900 131.123 -2.223 19038 1454 1 5 . 1 1 65 65 ALA H H 65 7.840 7.840 8.116 -0.276 19038 1455 1 5 . 1 1 66 66 THR N N 66 109.300 109.300 115.554 -6.254 19038 1456 1 5 . 1 1 66 66 THR H H 66 8.600 8.600 8.642 -0.042 19038 1457 1 5 . 1 1 67 67 ARG N N 67 115.000 115.000 120.516 -5.516 19038 1458 1 5 . 1 1 67 67 ARG H H 67 6.420 6.420 7.298 -0.878 19038 1459 1 5 . 1 1 68 68 GLY N N 68 112.600 112.600 109.877 2.723 19038 1460 1 5 . 1 1 68 68 GLY H H 68 10.340 10.340 9.266 1.074 19038 1461 1 5 . 1 1 69 69 GLN N N 69 120.100 120.100 121.300 -1.200 19038 1462 1 5 . 1 1 69 69 GLN H H 69 8.910 8.910 8.218 0.692 19038 1463 1 5 . 1 1 70 70 LEU N N 70 117.400 117.400 119.131 -1.731 19038 1464 1 5 . 1 1 70 70 LEU H H 70 6.410 6.410 7.828 -1.418 19038 1465 1 5 . 1 1 73 73 GLU N N 73 115.100 115.100 119.781 -4.681 19038 1466 1 5 . 1 1 73 73 GLU H H 73 7.780 7.780 7.880 -0.100 19038 1467 1 5 . 1 1 74 74 ALA N N 74 121.500 121.500 121.621 -0.121 19038 1468 1 5 . 1 1 74 74 ALA H H 74 8.150 8.150 7.805 0.345 19038 1469 1 5 . 1 1 78 78 TYR N N 78 121.800 121.800 122.656 -0.856 19038 1470 1 5 . 1 1 78 78 TYR H H 78 7.350 7.350 7.647 -0.297 19038 1471 1 5 . 1 1 83 83 SER N N 83 127.400 127.400 121.694 5.706 19038 1472 1 5 . 1 1 83 83 SER H H 83 9.970 9.970 9.385 0.585 19038 1473 1 5 . 1 1 85 85 CYS N N 85 111.600 111.600 116.957 -5.357 19038 1474 1 5 . 1 1 85 85 CYS H H 85 5.690 5.690 7.944 -2.254 19038 1475 1 5 . 1 1 90 90 ARG N N 90 124.800 124.800 127.216 -2.416 19038 1476 1 5 . 1 1 90 90 ARG H H 90 9.410 9.410 8.822 0.588 19038 1477 1 5 . 1 1 91 91 GLU N N 91 116.300 116.300 116.131 0.169 19038 1478 1 5 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 1479 1 5 . 1 1 92 92 ALA N N 92 123.600 123.600 122.330 1.270 19038 1480 1 5 . 1 1 92 92 ALA H H 92 7.120 7.120 8.612 -1.492 19038 1481 1 5 . 1 1 93 93 GLY N N 93 104.600 104.600 106.352 -1.752 19038 1482 1 5 . 1 1 93 93 GLY H H 93 7.350 7.350 7.723 -0.373 19038 1483 1 5 . 1 1 95 95 ALA N N 95 120.400 120.400 121.642 -1.242 19038 1484 1 5 . 1 1 95 95 ALA H H 95 6.820 6.820 7.486 -0.666 19038 1485 1 5 . 1 1 96 96 TYR N N 96 121.800 121.800 120.714 1.086 19038 1486 1 5 . 1 1 96 96 TYR H H 96 7.300 7.300 7.415 -0.115 19038 1487 1 5 . 1 1 107 107 GLU N N 107 128.200 128.200 118.886 9.314 19038 1488 1 5 . 1 1 107 107 GLU H H 107 8.760 8.760 8.394 0.366 19038 1489 1 5 . 1 1 109 109 ARG N N 109 119.400 119.400 119.211 0.189 19038 1490 1 5 . 1 1 109 109 ARG H H 109 7.590 7.590 8.234 -0.644 19038 1491 1 5 . 1 1 111 111 PHE N N 111 118.100 118.100 117.848 0.252 19038 1492 1 5 . 1 1 111 111 PHE H H 111 7.130 7.130 7.701 -0.571 19038 1493 1 5 . 1 1 126 126 LYS N N 126 119.200 119.200 120.511 -1.311 19038 1494 1 5 . 1 1 126 126 LYS H H 126 7.220 7.220 7.445 -0.225 19038 1495 1 5 . 1 1 130 130 ARG N N 130 121.500 121.500 119.547 1.953 19038 1496 1 5 . 1 1 130 130 ARG H H 130 7.790 7.790 8.260 -0.470 19038 1497 1 5 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 1498 1 5 . 1 1 137 137 SER H H 137 8.320 8.320 8.247 0.073 19038 1499 1 5 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 1500 1 5 . 1 1 140 140 GLU H H 140 8.590 8.590 8.078 0.512 19038 1501 1 5 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 1502 1 5 . 1 1 141 141 SER H H 141 7.480 7.480 7.876 -0.396 19038 1503 1 5 . 1 1 145 145 GLN N N 145 114.300 114.300 118.178 -3.878 19038 1504 1 5 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 1505 1 5 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 1506 1 5 . 1 1 146 146 GLY H H 146 6.490 6.490 7.891 -1.401 19038 1507 1 5 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 1508 1 5 . 1 1 147 147 GLN H H 147 5.880 5.880 6.832 -0.952 19038 1509 1 5 . 1 1 148 148 CYS N N 148 110.800 110.800 115.356 -4.556 19038 1510 1 5 . 1 1 148 148 CYS H H 148 8.230 8.230 8.540 -0.310 19038 1511 1 5 . 1 1 149 149 ASN N N 149 120.100 120.100 121.072 -0.972 19038 1512 1 5 . 1 1 149 149 ASN H H 149 9.130 9.130 9.072 0.058 19038 1513 1 5 . 1 1 150 150 PHE N N 150 124.300 124.300 125.442 -1.142 19038 1514 1 5 . 1 1 150 150 PHE H H 150 9.280 9.280 8.072 1.208 19038 1515 1 5 . 1 1 151 151 THR N N 151 109.000 109.000 110.571 -1.571 19038 1516 1 5 . 1 1 151 151 THR H H 151 7.180 7.180 8.224 -1.044 19038 1517 1 5 . 1 1 152 152 GLU N N 152 119.000 119.000 120.517 -1.517 19038 1518 1 5 . 1 1 152 152 GLU H H 152 6.250 6.250 7.789 -1.539 19038 1519 1 5 . 1 1 153 153 ASP N N 153 115.000 115.000 117.732 -2.732 19038 1520 1 5 . 1 1 153 153 ASP H H 153 8.580 8.580 8.368 0.212 19038 1521 1 5 . 1 1 154 154 TYR N N 154 116.500 116.500 118.351 -1.851 19038 1522 1 5 . 1 1 154 154 TYR H H 154 7.160 7.160 7.634 -0.474 19038 1523 1 5 . 1 1 156 156 GLU N N 156 106.900 106.900 117.005 -10.105 19038 1524 1 5 . 1 1 156 156 GLU H H 156 7.570 7.570 7.724 -0.154 19038 1525 1 5 . 1 1 163 163 PHE N N 163 121.800 121.800 121.925 -0.125 19038 1526 1 5 . 1 1 163 163 PHE H H 163 7.950 7.950 7.469 0.481 19038 1527 1 5 . 1 1 168 168 GLY N N 168 109.500 109.500 106.298 3.202 19038 1528 1 5 . 1 1 168 168 GLY H H 168 7.900 7.900 7.559 0.341 19038 1529 1 5 . 1 1 169 169 LEU N N 169 122.800 122.800 119.996 2.804 19038 1530 1 5 . 1 1 169 169 LEU H H 169 8.490 8.490 8.078 0.412 19038 1531 1 5 . 1 1 171 171 GLU N N 171 123.500 123.500 123.463 0.037 19038 1532 1 5 . 1 1 171 171 GLU H H 171 8.790 8.790 9.025 -0.235 19038 1533 1 5 . 1 1 172 172 GLU N N 172 120.500 120.500 118.332 2.168 19038 1534 1 5 . 1 1 172 172 GLU H H 172 9.410 9.410 8.556 0.854 19038 1535 1 5 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 1536 1 5 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 1537 1 5 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 1538 1 5 . 1 1 193 193 PHE H H 193 8.550 8.550 8.643 -0.093 19038 1539 1 5 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 1540 1 5 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 1541 1 5 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 1542 1 5 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 1543 1 5 . 1 1 200 200 LEU N N 200 124.400 124.400 120.125 4.275 19038 1544 1 5 . 1 1 200 200 LEU H H 200 7.850 7.850 7.635 0.215 19038 1545 1 5 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 1546 1 5 . 1 1 207 207 ILE H H 207 6.540 6.540 7.009 -0.469 19038 1547 1 5 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 1548 1 5 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 1549 1 5 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 1550 1 5 . 1 1 214 214 LYS H H 214 8.040 8.040 8.148 -0.108 19038 1551 1 5 . 1 1 216 216 GLY N N 216 111.500 111.500 111.374 0.126 19038 1552 1 5 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 1553 1 5 . 1 1 219 219 ALA N N 219 118.900 118.900 121.631 -2.731 19038 1554 1 5 . 1 1 219 219 ALA H H 219 8.540 8.540 8.406 0.134 19038 1555 1 5 . 1 1 223 223 VAL N N 223 119.500 119.500 118.686 0.814 19038 1556 1 5 . 1 1 223 223 VAL H H 223 7.900 7.900 8.131 -0.231 19038 1557 1 5 . 1 1 224 224 ALA N N 224 116.800 116.800 122.639 -5.839 19038 1558 1 5 . 1 1 224 224 ALA H H 224 9.020 9.020 8.378 0.642 19038 1559 1 5 . 1 1 226 226 GLY N N 226 110.200 110.200 107.947 2.253 19038 1560 1 5 . 1 1 226 226 GLY H H 226 7.700 7.700 7.419 0.281 19038 1561 1 5 . 1 1 227 227 GLN N N 227 118.700 118.700 118.326 0.374 19038 1562 1 5 . 1 1 227 227 GLN H H 227 8.170 8.170 8.371 -0.201 19038 1563 1 5 . 1 1 228 228 VAL N N 228 117.900 117.900 118.815 -0.915 19038 1564 1 5 . 1 1 228 228 VAL H H 228 8.900 8.900 8.990 -0.090 19038 1565 1 5 . 1 1 229 229 ASN N N 229 121.900 121.900 126.243 -4.343 19038 1566 1 5 . 1 1 229 229 ASN H H 229 8.900 8.900 9.230 -0.330 19038 1567 1 5 . 1 1 230 230 GLY N N 230 103.600 103.600 100.254 3.346 19038 1568 1 5 . 1 1 230 230 GLY H H 230 8.580 8.580 8.486 0.094 19038 1569 1 5 . 1 1 231 231 ARG N N 231 119.300 119.300 119.824 -0.524 19038 1570 1 5 . 1 1 231 231 ARG H H 231 7.950 7.950 7.588 0.362 19038 1571 1 5 . 1 1 233 233 ILE N N 233 127.400 127.400 127.369 0.031 19038 1572 1 5 . 1 1 233 233 ILE H H 233 8.250 8.250 8.359 -0.109 19038 1573 1 5 . 1 1 238 238 ALA N N 238 119.900 119.900 122.066 -2.166 19038 1574 1 5 . 1 1 238 238 ALA H H 238 8.610 8.610 8.201 0.409 19038 1575 1 5 . 1 1 239 239 LYS N N 239 122.500 122.500 118.690 3.810 19038 1576 1 5 . 1 1 239 239 LYS H H 239 8.180 8.180 7.954 0.226 19038 1577 1 5 . 1 1 241 241 MET N N 241 120.400 120.400 120.718 -0.318 19038 1578 1 5 . 1 1 241 241 MET H H 241 8.140 8.140 7.900 0.240 19038 1579 1 5 . 1 1 243 243 GLY N N 243 106.400 106.400 107.914 -1.514 19038 1580 1 5 . 1 1 243 243 GLY H H 243 8.740 8.740 8.203 0.537 19038 1581 1 5 . 1 1 254 254 VAL N N 254 118.500 118.500 119.148 -0.648 19038 1582 1 5 . 1 1 254 254 VAL H H 254 7.060 7.060 8.403 -1.343 19038 1583 1 5 . 1 1 260 260 SER N N 260 109.100 109.100 114.983 -5.883 19038 1584 1 5 . 1 1 260 260 SER H H 260 7.030 7.030 7.722 -0.692 19038 1585 1 5 . 1 1 261 261 MET N N 261 118.900 118.900 119.926 -1.026 19038 1586 1 5 . 1 1 261 261 MET H H 261 6.470 6.470 7.988 -1.518 19038 1587 1 5 . 1 1 266 266 LYS N N 266 116.400 116.400 116.353 0.047 19038 1588 1 5 . 1 1 266 266 LYS H H 266 7.260 7.260 7.286 -0.026 19038 1589 1 5 . 1 1 267 267 SER N N 267 114.800 114.800 114.610 0.190 19038 1590 1 5 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 1591 1 5 . 1 1 269 269 GLU N N 269 117.700 117.700 118.986 -1.286 19038 1592 1 5 . 1 1 269 269 GLU H H 269 8.990 8.990 8.587 0.403 19038 1593 1 5 . 1 1 271 271 ARG N N 271 117.900 117.900 119.297 -1.397 19038 1594 1 5 . 1 1 271 271 ARG H H 271 7.550 7.550 7.740 -0.190 19038 1595 1 5 . 1 1 273 273 GLU N N 273 119.200 119.200 120.704 -1.504 19038 1596 1 5 . 1 1 273 273 GLU H H 273 7.470 7.470 7.793 -0.323 19038 1597 1 5 . 1 1 274 274 LEU N N 274 115.700 115.700 118.592 -2.892 19038 1598 1 5 . 1 1 274 274 LEU H H 274 6.990 6.990 7.676 -0.686 19038 1599 1 5 . 1 1 275 275 ILE N N 275 122.000 122.000 118.920 3.080 19038 1600 1 5 . 1 1 275 275 ILE H H 275 7.570 7.570 7.923 -0.353 19038 1601 1 5 . 1 1 276 276 GLN N N 276 116.600 116.600 118.764 -2.164 19038 1602 1 5 . 1 1 276 276 GLN H H 276 7.500 7.500 8.035 -0.535 19038 1603 1 5 . 1 1 279 279 GLU N N 279 122.500 122.500 117.021 5.479 19038 1604 1 5 . 1 1 279 279 GLU H H 279 10.010 10.010 8.855 1.155 19038 1605 1 5 . 1 1 280 280 ARG N N 280 121.300 121.300 118.230 3.070 19038 1606 1 5 . 1 1 280 280 ARG H H 280 8.500 8.500 7.470 1.030 19038 1607 1 5 . 1 1 284 284 ALA N N 284 123.100 123.100 121.714 1.386 19038 1608 1 5 . 1 1 284 284 ALA H H 284 8.510 8.510 8.258 0.252 19038 1609 1 5 . 1 1 291 291 ARG N N 291 119.500 119.500 120.790 -1.290 19038 1610 1 5 . 1 1 291 291 ARG H H 291 8.210 8.210 7.813 0.397 19038 1611 1 5 . 1 1 292 292 PHE N N 292 115.500 115.500 117.232 -1.732 19038 1612 1 5 . 1 1 292 292 PHE H H 292 8.570 8.570 7.764 0.806 19038 1613 1 5 . 1 1 293 293 SER N N 293 110.600 110.600 115.909 -5.309 19038 1614 1 5 . 1 1 293 293 SER H H 293 5.950 5.950 7.385 -1.435 19038 1615 1 5 . 1 1 299 299 ARG N N 299 117.700 117.700 117.339 0.361 19038 1616 1 5 . 1 1 299 299 ARG H H 299 8.260 8.260 8.290 -0.030 19038 1617 1 5 . 1 1 300 300 ILE N N 300 122.000 122.000 120.209 1.791 19038 1618 1 5 . 1 1 300 300 ILE H H 300 9.560 9.560 8.443 1.117 19038 1619 1 5 . 1 1 301 301 LEU N N 301 131.900 131.900 128.510 3.390 19038 1620 1 5 . 1 1 301 301 LEU H H 301 8.800 8.800 8.940 -0.140 19038 1621 1 5 . 1 1 302 302 THR N N 302 116.800 116.800 116.147 0.653 19038 1622 1 5 . 1 1 302 302 THR H H 302 8.680 8.680 8.819 -0.139 19038 1623 1 5 . 1 1 303 303 SER N N 303 112.900 112.900 115.375 -2.475 19038 1624 1 5 . 1 1 303 303 SER H H 303 7.500 7.500 7.487 0.013 19038 1625 1 5 . 1 1 304 304 ASP N N 304 121.800 121.800 121.112 0.688 19038 1626 1 5 . 1 1 304 304 ASP H H 304 8.500 8.500 8.591 -0.091 19038 1627 1 5 . 1 1 305 305 TYR N N 305 126.500 126.500 123.411 3.089 19038 1628 1 5 . 1 1 305 305 TYR H H 305 8.390 8.390 8.490 -0.100 19038 1629 1 5 . 1 1 306 306 GLU N N 306 130.500 130.500 128.995 1.505 19038 1630 1 5 . 1 1 306 306 GLU H H 306 7.720 7.720 8.321 -0.601 19038 1631 1 5 . 1 1 307 307 PHE N N 307 130.200 130.200 128.931 1.269 19038 1632 1 5 . 1 1 307 307 PHE H H 307 8.480 8.480 8.630 -0.150 19038 1633 1 5 . 1 1 308 308 HIS N N 308 124.200 124.200 126.289 -2.089 19038 1634 1 5 . 1 1 308 308 HIS H H 308 8.980 8.980 8.835 0.145 19038 1635 1 5 . 1 1 309 309 GLY N N 309 102.900 102.900 103.452 -0.552 19038 1636 1 5 . 1 1 309 309 GLY H H 309 8.360 8.360 8.226 0.134 19038 1637 1 5 . 1 1 310 310 VAL N N 310 124.100 124.100 121.336 2.764 19038 1638 1 5 . 1 1 310 310 VAL H H 310 7.500 7.500 7.249 0.251 19038 1639 1 5 . 1 1 311 311 GLN N N 311 126.400 126.400 125.161 1.239 19038 1640 1 5 . 1 1 311 311 GLN H H 311 8.400 8.400 8.595 -0.195 19038 1641 1 5 . 1 1 312 312 LEU N N 312 128.800 128.800 126.151 2.649 19038 1642 1 5 . 1 1 312 312 LEU H H 312 8.630 8.630 8.380 0.250 19038 1643 1 5 . 1 1 313 313 LYS N N 313 125.100 125.100 121.584 3.516 19038 1644 1 5 . 1 1 313 313 LYS H H 313 8.550 8.550 8.959 -0.409 19038 1645 1 5 . 1 1 314 314 LYS N N 314 122.300 122.300 126.446 -4.146 19038 1646 1 5 . 1 1 314 314 LYS H H 314 8.730 8.730 8.917 -0.187 19038 1647 1 5 . 1 1 315 315 GLY N N 315 117.700 117.700 115.307 2.393 19038 1648 1 5 . 1 1 315 315 GLY H H 315 8.590 8.590 9.018 -0.428 19038 1649 1 5 . 1 1 316 316 ASP N N 316 123.100 123.100 123.052 0.048 19038 1650 1 5 . 1 1 316 316 ASP H H 316 8.960 8.960 8.351 0.609 19038 1651 1 5 . 1 1 317 317 GLN N N 317 119.300 119.300 121.615 -2.315 19038 1652 1 5 . 1 1 317 317 GLN H H 317 9.500 9.500 9.018 0.482 19038 1653 1 5 . 1 1 319 319 LEU N N 319 131.600 131.600 130.552 1.048 19038 1654 1 5 . 1 1 319 319 LEU H H 319 9.090 9.090 9.204 -0.114 19038 1655 1 5 . 1 1 320 320 LEU N N 320 132.200 132.200 128.702 3.498 19038 1656 1 5 . 1 1 320 320 LEU H H 320 8.860 8.860 7.955 0.905 19038 1657 1 5 . 1 1 323 323 MET N N 323 113.300 113.300 118.624 -5.324 19038 1658 1 5 . 1 1 323 323 MET H H 323 7.600 7.600 7.328 0.272 19038 1659 1 5 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 1660 1 5 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 1661 1 5 . 1 1 330 330 ARG N N 330 119.300 119.300 117.084 2.216 19038 1662 1 5 . 1 1 330 330 ARG H H 330 8.630 8.630 8.145 0.485 19038 1663 1 5 . 1 1 332 332 ASN N N 332 117.000 117.000 117.437 -0.437 19038 1664 1 5 . 1 1 332 332 ASN H H 332 7.830 7.830 8.158 -0.328 19038 1665 1 5 . 1 1 333 333 ALA N N 333 124.700 124.700 125.331 -0.631 19038 1666 1 5 . 1 1 333 333 ALA H H 333 8.510 8.510 8.606 -0.096 19038 1667 1 5 . 1 1 334 334 CYS N N 334 123.200 123.200 118.643 4.557 19038 1668 1 5 . 1 1 334 334 CYS H H 334 9.200 9.200 9.219 -0.019 19038 1669 1 5 . 1 1 336 336 MET N N 336 116.200 116.200 114.139 2.061 19038 1670 1 5 . 1 1 336 336 MET H H 336 8.750 8.750 8.064 0.686 19038 1671 1 5 . 1 1 338 338 VAL N N 338 127.100 127.100 127.598 -0.498 19038 1672 1 5 . 1 1 338 338 VAL H H 338 8.060 8.060 8.167 -0.107 19038 1673 1 5 . 1 1 339 339 ASP N N 339 131.600 131.600 127.710 3.890 19038 1674 1 5 . 1 1 339 339 ASP H H 339 10.090 10.090 8.843 1.247 19038 1675 1 5 . 1 1 340 340 PHE N N 340 124.800 124.800 124.437 0.363 19038 1676 1 5 . 1 1 340 340 PHE H H 340 9.520 9.520 8.735 0.785 19038 1677 1 5 . 1 1 341 341 SER N N 341 116.500 116.500 112.023 4.477 19038 1678 1 5 . 1 1 341 341 SER H H 341 8.670 8.670 7.939 0.731 19038 1679 1 5 . 1 1 342 342 ARG N N 342 124.700 124.700 123.043 1.657 19038 1680 1 5 . 1 1 342 342 ARG H H 342 7.170 7.170 7.542 -0.372 19038 1681 1 5 . 1 1 347 347 HIS N N 347 121.900 121.900 121.038 0.862 19038 1682 1 5 . 1 1 347 347 HIS H H 347 8.190 8.190 8.251 -0.061 19038 1683 1 5 . 1 1 356 356 LEU N N 356 119.400 119.400 121.447 -2.047 19038 1684 1 5 . 1 1 356 356 LEU H H 356 6.890 6.890 7.559 -0.669 19038 1685 1 5 . 1 1 360 360 GLN N N 360 118.500 118.500 119.728 -1.228 19038 1686 1 5 . 1 1 360 360 GLN H H 360 8.690 8.690 7.467 1.223 19038 1687 1 5 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 1688 1 5 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 1689 1 5 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 1690 1 5 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 1691 1 5 . 1 1 382 382 SER N N 382 111.600 111.600 114.343 -2.743 19038 1692 1 5 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 1693 1 5 . 1 1 384 384 ALA N N 384 132.000 132.000 130.854 1.146 19038 1694 1 5 . 1 1 384 384 ALA H H 384 8.150 8.150 8.636 -0.486 19038 1695 1 5 . 1 1 387 387 ALA N N 387 124.100 124.100 123.897 0.203 19038 1696 1 5 . 1 1 387 387 ALA H H 387 7.580 7.580 7.667 -0.087 19038 1697 1 5 . 1 1 388 388 GLN N N 388 123.000 123.000 121.728 1.272 19038 1698 1 5 . 1 1 388 388 GLN H H 388 8.410 8.410 8.486 -0.076 19038 1699 1 5 . 1 1 389 389 ILE N N 389 127.100 127.100 124.738 2.362 19038 1700 1 5 . 1 1 389 389 ILE H H 389 8.580 8.580 8.524 0.056 19038 1701 1 5 . 1 1 390 390 GLN N N 390 130.000 130.000 126.536 3.464 19038 1702 1 5 . 1 1 390 390 GLN H H 390 9.520 9.520 8.785 0.735 19038 1703 1 5 . 1 1 391 391 HIS N N 391 125.800 125.800 121.397 4.403 19038 1704 1 5 . 1 1 391 391 HIS H H 391 9.010 9.010 8.652 0.358 19038 1705 1 5 . 1 1 392 392 LYS N N 392 119.200 119.200 119.577 -0.377 19038 1706 1 5 . 1 1 392 392 LYS H H 392 8.890 8.890 8.890 -0.000 19038 1707 1 5 . 1 1 394 394 GLY N N 394 110.200 110.200 108.858 1.342 19038 1708 1 5 . 1 1 394 394 GLY H H 394 6.690 6.690 7.966 -1.276 19038 1709 1 5 . 1 1 395 395 ILE N N 395 125.600 125.600 120.779 4.821 19038 1710 1 5 . 1 1 395 395 ILE H H 395 8.330 8.330 8.016 0.314 19038 1711 1 5 . 1 1 398 398 GLY N N 398 103.000 103.000 107.678 -4.678 19038 1712 1 5 . 1 1 398 398 GLY H H 398 8.500 8.500 8.443 0.057 19038 1713 1 5 . 1 1 400 400 GLN N N 400 126.200 126.200 126.265 -0.065 19038 1714 1 5 . 1 1 400 400 GLN H H 400 8.900 8.900 8.838 0.062 19038 1715 1 5 . 1 1 401 401 ALA N N 401 117.600 117.600 117.668 -0.068 19038 1716 1 5 . 1 1 401 401 ALA H H 401 7.290 7.290 7.810 -0.520 19038 1717 1 5 . 1 1 402 402 LEU N N 402 119.900 119.900 121.745 -1.845 19038 1718 1 5 . 1 1 402 402 LEU H H 402 8.620 8.620 8.610 0.010 19038 1719 1 5 . 1 1 405 405 VAL N N 405 114.400 114.400 113.898 0.502 19038 1720 1 5 . 1 1 405 405 VAL H H 405 9.210 9.210 9.015 0.195 19038 1721 1 5 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 1722 1 5 . 1 1 409 409 ALA H H 409 8.630 8.630 7.881 0.749 19038 1723 1 5 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 1724 1 5 . 1 1 410 410 THR H H 410 8.120 8.120 7.856 0.264 19038 1725 1 5 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 1726 1 5 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 1727 1 5 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 1728 1 5 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 1729 1 5 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 1730 1 5 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 1731 1 6 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 1732 1 6 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 1733 1 6 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 1734 1 6 . 1 1 14 14 LEU H H 14 8.400 8.400 8.233 0.167 19038 1735 1 6 . 1 1 17 17 HIS N N 17 111.900 111.900 115.147 -3.247 19038 1736 1 6 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 1737 1 6 . 1 1 18 18 VAL N N 18 127.700 127.700 123.312 4.388 19038 1738 1 6 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 1739 1 6 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 1740 1 6 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 1741 1 6 . 1 1 21 21 HIS N N 21 114.200 114.200 114.436 -0.236 19038 1742 1 6 . 1 1 21 21 HIS H H 21 7.830 7.830 8.284 -0.454 19038 1743 1 6 . 1 1 22 22 LEU N N 22 119.300 119.300 119.787 -0.487 19038 1744 1 6 . 1 1 22 22 LEU H H 22 7.140 7.140 7.317 -0.177 19038 1745 1 6 . 1 1 23 23 VAL N N 23 120.900 120.900 120.675 0.225 19038 1746 1 6 . 1 1 23 23 VAL H H 23 7.080 7.080 7.401 -0.321 19038 1747 1 6 . 1 1 24 24 PHE N N 24 133.900 133.900 128.588 5.312 19038 1748 1 6 . 1 1 24 24 PHE H H 24 9.200 9.200 8.817 0.383 19038 1749 1 6 . 1 1 25 25 ASP N N 25 126.600 126.600 129.535 -2.935 19038 1750 1 6 . 1 1 25 25 ASP H H 25 8.100 8.100 8.387 -0.287 19038 1751 1 6 . 1 1 26 26 PHE N N 26 125.200 125.200 123.457 1.743 19038 1752 1 6 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 1753 1 6 . 1 1 27 27 ASP N N 27 133.400 133.400 128.832 4.568 19038 1754 1 6 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 1755 1 6 . 1 1 30 30 ASN N N 30 116.600 116.600 117.241 -0.641 19038 1756 1 6 . 1 1 30 30 ASN H H 30 6.670 6.670 7.372 -0.702 19038 1757 1 6 . 1 1 34 34 LEU N N 34 120.200 120.200 122.732 -2.532 19038 1758 1 6 . 1 1 34 34 LEU H H 34 7.180 7.180 7.520 -0.340 19038 1759 1 6 . 1 1 35 35 SER N N 35 114.900 114.900 114.916 -0.016 19038 1760 1 6 . 1 1 35 35 SER H H 35 8.540 8.540 8.542 -0.002 19038 1761 1 6 . 1 1 36 36 ALA N N 36 124.900 124.900 123.017 1.883 19038 1762 1 6 . 1 1 36 36 ALA H H 36 7.770 7.770 7.354 0.416 19038 1763 1 6 . 1 1 37 37 GLY N N 37 110.000 110.000 105.259 4.741 19038 1764 1 6 . 1 1 37 37 GLY H H 37 7.370 7.370 7.338 0.032 19038 1765 1 6 . 1 1 39 39 GLN N N 39 122.900 122.900 117.738 5.162 19038 1766 1 6 . 1 1 39 39 GLN H H 39 7.700 7.700 8.941 -1.241 19038 1767 1 6 . 1 1 40 40 GLU N N 40 121.500 121.500 119.588 1.912 19038 1768 1 6 . 1 1 40 40 GLU H H 40 9.850 9.850 8.296 1.554 19038 1769 1 6 . 1 1 44 44 VAL N N 44 120.000 120.000 116.710 3.290 19038 1770 1 6 . 1 1 44 44 VAL H H 44 7.090 7.090 7.492 -0.402 19038 1771 1 6 . 1 1 46 46 GLN N N 46 112.500 112.500 114.750 -2.250 19038 1772 1 6 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 1773 1 6 . 1 1 47 47 GLU N N 47 121.500 121.500 121.536 -0.036 19038 1774 1 6 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 1775 1 6 . 1 1 48 48 SER N N 48 116.000 116.000 118.300 -2.300 19038 1776 1 6 . 1 1 48 48 SER H H 48 8.560 8.560 8.812 -0.252 19038 1777 1 6 . 1 1 49 49 ASN N N 49 116.900 116.900 117.472 -0.572 19038 1778 1 6 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 1779 1 6 . 1 1 50 50 VAL N N 50 126.200 126.200 123.637 2.563 19038 1780 1 6 . 1 1 50 50 VAL H H 50 7.700 7.700 7.501 0.199 19038 1781 1 6 . 1 1 52 52 ASP N N 52 118.000 118.000 117.602 0.398 19038 1782 1 6 . 1 1 52 52 ASP H H 52 8.040 8.040 8.464 -0.424 19038 1783 1 6 . 1 1 54 54 VAL N N 54 114.000 114.000 120.505 -6.505 19038 1784 1 6 . 1 1 54 54 VAL H H 54 8.530 8.530 8.026 0.504 19038 1785 1 6 . 1 1 55 55 TRP N N 55 123.300 123.300 123.109 0.191 19038 1786 1 6 . 1 1 55 55 TRP H H 55 8.920 8.920 9.313 -0.393 19038 1787 1 6 . 1 1 56 56 THR N N 56 120.300 120.300 122.418 -2.118 19038 1788 1 6 . 1 1 56 56 THR H H 56 7.860 7.860 7.845 0.015 19038 1789 1 6 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 1790 1 6 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 1791 1 6 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 1792 1 6 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 1793 1 6 . 1 1 61 61 GLY N N 61 112.200 112.200 110.004 2.196 19038 1794 1 6 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 1795 1 6 . 1 1 62 62 HIS N N 62 121.900 121.900 115.745 6.155 19038 1796 1 6 . 1 1 62 62 HIS H H 62 7.100 7.100 6.851 0.249 19038 1797 1 6 . 1 1 64 64 ILE N N 64 126.000 126.000 119.879 6.121 19038 1798 1 6 . 1 1 64 64 ILE H H 64 10.360 10.360 8.942 1.418 19038 1799 1 6 . 1 1 65 65 ALA N N 65 128.900 128.900 131.120 -2.220 19038 1800 1 6 . 1 1 65 65 ALA H H 65 7.840 7.840 8.112 -0.272 19038 1801 1 6 . 1 1 66 66 THR N N 66 109.300 109.300 115.551 -6.251 19038 1802 1 6 . 1 1 66 66 THR H H 66 8.600 8.600 8.638 -0.038 19038 1803 1 6 . 1 1 67 67 ARG N N 67 115.000 115.000 120.513 -5.513 19038 1804 1 6 . 1 1 67 67 ARG H H 67 6.420 6.420 7.294 -0.874 19038 1805 1 6 . 1 1 68 68 GLY N N 68 112.600 112.600 109.936 2.664 19038 1806 1 6 . 1 1 68 68 GLY H H 68 10.340 10.340 9.269 1.071 19038 1807 1 6 . 1 1 69 69 GLN N N 69 120.100 120.100 121.127 -1.027 19038 1808 1 6 . 1 1 69 69 GLN H H 69 8.910 8.910 8.113 0.797 19038 1809 1 6 . 1 1 70 70 LEU N N 70 117.400 117.400 119.222 -1.822 19038 1810 1 6 . 1 1 70 70 LEU H H 70 6.410 6.410 7.838 -1.428 19038 1811 1 6 . 1 1 73 73 GLU N N 73 115.100 115.100 119.610 -4.510 19038 1812 1 6 . 1 1 73 73 GLU H H 73 7.780 7.780 7.835 -0.055 19038 1813 1 6 . 1 1 74 74 ALA N N 74 121.500 121.500 121.386 0.114 19038 1814 1 6 . 1 1 74 74 ALA H H 74 8.150 8.150 7.738 0.412 19038 1815 1 6 . 1 1 78 78 TYR N N 78 121.800 121.800 122.374 -0.574 19038 1816 1 6 . 1 1 78 78 TYR H H 78 7.350 7.350 7.503 -0.153 19038 1817 1 6 . 1 1 83 83 SER N N 83 127.400 127.400 121.692 5.708 19038 1818 1 6 . 1 1 83 83 SER H H 83 9.970 9.970 9.386 0.584 19038 1819 1 6 . 1 1 85 85 CYS N N 85 111.600 111.600 116.953 -5.353 19038 1820 1 6 . 1 1 85 85 CYS H H 85 5.690 5.690 7.941 -2.251 19038 1821 1 6 . 1 1 90 90 ARG N N 90 124.800 124.800 127.215 -2.415 19038 1822 1 6 . 1 1 90 90 ARG H H 90 9.410 9.410 8.821 0.589 19038 1823 1 6 . 1 1 91 91 GLU N N 91 116.300 116.300 116.130 0.170 19038 1824 1 6 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 1825 1 6 . 1 1 92 92 ALA N N 92 123.600 123.600 122.329 1.271 19038 1826 1 6 . 1 1 92 92 ALA H H 92 7.120 7.120 8.611 -1.491 19038 1827 1 6 . 1 1 93 93 GLY N N 93 104.600 104.600 106.351 -1.751 19038 1828 1 6 . 1 1 93 93 GLY H H 93 7.350 7.350 7.722 -0.372 19038 1829 1 6 . 1 1 95 95 ALA N N 95 120.400 120.400 121.640 -1.240 19038 1830 1 6 . 1 1 95 95 ALA H H 95 6.820 6.820 7.484 -0.664 19038 1831 1 6 . 1 1 96 96 TYR N N 96 121.800 121.800 120.712 1.088 19038 1832 1 6 . 1 1 96 96 TYR H H 96 7.300 7.300 7.412 -0.112 19038 1833 1 6 . 1 1 107 107 GLU N N 107 128.200 128.200 119.012 9.188 19038 1834 1 6 . 1 1 107 107 GLU H H 107 8.760 8.760 8.404 0.356 19038 1835 1 6 . 1 1 109 109 ARG N N 109 119.400 119.400 118.993 0.407 19038 1836 1 6 . 1 1 109 109 ARG H H 109 7.590 7.590 8.176 -0.586 19038 1837 1 6 . 1 1 111 111 PHE N N 111 118.100 118.100 117.875 0.225 19038 1838 1 6 . 1 1 111 111 PHE H H 111 7.130 7.130 7.763 -0.633 19038 1839 1 6 . 1 1 126 126 LYS N N 126 119.200 119.200 120.312 -1.112 19038 1840 1 6 . 1 1 126 126 LYS H H 126 7.220 7.220 7.459 -0.239 19038 1841 1 6 . 1 1 130 130 ARG N N 130 121.500 121.500 119.671 1.829 19038 1842 1 6 . 1 1 130 130 ARG H H 130 7.790 7.790 8.245 -0.455 19038 1843 1 6 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 1844 1 6 . 1 1 137 137 SER H H 137 8.320 8.320 8.248 0.072 19038 1845 1 6 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 1846 1 6 . 1 1 140 140 GLU H H 140 8.590 8.590 8.079 0.511 19038 1847 1 6 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 1848 1 6 . 1 1 141 141 SER H H 141 7.480 7.480 7.877 -0.397 19038 1849 1 6 . 1 1 145 145 GLN N N 145 114.300 114.300 118.179 -3.879 19038 1850 1 6 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 1851 1 6 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 1852 1 6 . 1 1 146 146 GLY H H 146 6.490 6.490 7.892 -1.402 19038 1853 1 6 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 1854 1 6 . 1 1 147 147 GLN H H 147 5.880 5.880 6.833 -0.953 19038 1855 1 6 . 1 1 148 148 CYS N N 148 110.800 110.800 115.358 -4.558 19038 1856 1 6 . 1 1 148 148 CYS H H 148 8.230 8.230 8.541 -0.311 19038 1857 1 6 . 1 1 149 149 ASN N N 149 120.100 120.100 121.073 -0.973 19038 1858 1 6 . 1 1 149 149 ASN H H 149 9.130 9.130 9.073 0.057 19038 1859 1 6 . 1 1 150 150 PHE N N 150 124.300 124.300 125.444 -1.144 19038 1860 1 6 . 1 1 150 150 PHE H H 150 9.280 9.280 8.074 1.206 19038 1861 1 6 . 1 1 151 151 THR N N 151 109.000 109.000 110.574 -1.574 19038 1862 1 6 . 1 1 151 151 THR H H 151 7.180 7.180 8.227 -1.047 19038 1863 1 6 . 1 1 152 152 GLU N N 152 119.000 119.000 120.519 -1.519 19038 1864 1 6 . 1 1 152 152 GLU H H 152 6.250 6.250 7.791 -1.541 19038 1865 1 6 . 1 1 153 153 ASP N N 153 115.000 115.000 117.734 -2.734 19038 1866 1 6 . 1 1 153 153 ASP H H 153 8.580 8.580 8.370 0.210 19038 1867 1 6 . 1 1 154 154 TYR N N 154 116.500 116.500 118.354 -1.854 19038 1868 1 6 . 1 1 154 154 TYR H H 154 7.160 7.160 7.636 -0.476 19038 1869 1 6 . 1 1 156 156 GLU N N 156 106.900 106.900 117.008 -10.108 19038 1870 1 6 . 1 1 156 156 GLU H H 156 7.570 7.570 7.728 -0.158 19038 1871 1 6 . 1 1 163 163 PHE N N 163 121.800 121.800 121.927 -0.127 19038 1872 1 6 . 1 1 163 163 PHE H H 163 7.950 7.950 7.471 0.479 19038 1873 1 6 . 1 1 168 168 GLY N N 168 109.500 109.500 106.298 3.202 19038 1874 1 6 . 1 1 168 168 GLY H H 168 7.900 7.900 7.560 0.340 19038 1875 1 6 . 1 1 169 169 LEU N N 169 122.800 122.800 119.997 2.803 19038 1876 1 6 . 1 1 169 169 LEU H H 169 8.490 8.490 8.079 0.411 19038 1877 1 6 . 1 1 171 171 GLU N N 171 123.500 123.500 123.464 0.036 19038 1878 1 6 . 1 1 171 171 GLU H H 171 8.790 8.790 9.026 -0.236 19038 1879 1 6 . 1 1 172 172 GLU N N 172 120.500 120.500 118.333 2.167 19038 1880 1 6 . 1 1 172 172 GLU H H 172 9.410 9.410 8.557 0.853 19038 1881 1 6 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 1882 1 6 . 1 1 189 189 GLY H H 189 8.490 8.490 8.235 0.255 19038 1883 1 6 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 1884 1 6 . 1 1 193 193 PHE H H 193 8.550 8.550 8.642 -0.092 19038 1885 1 6 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 1886 1 6 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 1887 1 6 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 1888 1 6 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 1889 1 6 . 1 1 200 200 LEU N N 200 124.400 124.400 120.126 4.274 19038 1890 1 6 . 1 1 200 200 LEU H H 200 7.850 7.850 7.636 0.214 19038 1891 1 6 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 1892 1 6 . 1 1 207 207 ILE H H 207 6.540 6.540 7.009 -0.469 19038 1893 1 6 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 1894 1 6 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 1895 1 6 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 1896 1 6 . 1 1 214 214 LYS H H 214 8.040 8.040 8.148 -0.108 19038 1897 1 6 . 1 1 216 216 GLY N N 216 111.500 111.500 111.374 0.126 19038 1898 1 6 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 1899 1 6 . 1 1 219 219 ALA N N 219 118.900 118.900 121.638 -2.738 19038 1900 1 6 . 1 1 219 219 ALA H H 219 8.540 8.540 8.407 0.133 19038 1901 1 6 . 1 1 223 223 VAL N N 223 119.500 119.500 118.796 0.704 19038 1902 1 6 . 1 1 223 223 VAL H H 223 7.900 7.900 8.129 -0.229 19038 1903 1 6 . 1 1 224 224 ALA N N 224 116.800 116.800 122.675 -5.875 19038 1904 1 6 . 1 1 224 224 ALA H H 224 9.020 9.020 8.369 0.651 19038 1905 1 6 . 1 1 226 226 GLY N N 226 110.200 110.200 107.869 2.331 19038 1906 1 6 . 1 1 226 226 GLY H H 226 7.700 7.700 7.423 0.277 19038 1907 1 6 . 1 1 227 227 GLN N N 227 118.700 118.700 118.165 0.535 19038 1908 1 6 . 1 1 227 227 GLN H H 227 8.170 8.170 8.452 -0.282 19038 1909 1 6 . 1 1 228 228 VAL N N 228 117.900 117.900 118.757 -0.857 19038 1910 1 6 . 1 1 228 228 VAL H H 228 8.900 8.900 8.983 -0.083 19038 1911 1 6 . 1 1 229 229 ASN N N 229 121.900 121.900 126.714 -4.814 19038 1912 1 6 . 1 1 229 229 ASN H H 229 8.900 8.900 9.136 -0.236 19038 1913 1 6 . 1 1 230 230 GLY N N 230 103.600 103.600 101.655 1.945 19038 1914 1 6 . 1 1 230 230 GLY H H 230 8.580 8.580 8.386 0.194 19038 1915 1 6 . 1 1 231 231 ARG N N 231 119.300 119.300 119.882 -0.582 19038 1916 1 6 . 1 1 231 231 ARG H H 231 7.950 7.950 7.584 0.366 19038 1917 1 6 . 1 1 233 233 ILE N N 233 127.400 127.400 127.400 0.000 19038 1918 1 6 . 1 1 233 233 ILE H H 233 8.250 8.250 8.352 -0.102 19038 1919 1 6 . 1 1 238 238 ALA N N 238 119.900 119.900 122.098 -2.198 19038 1920 1 6 . 1 1 238 238 ALA H H 238 8.610 8.610 8.164 0.446 19038 1921 1 6 . 1 1 239 239 LYS N N 239 122.500 122.500 118.693 3.807 19038 1922 1 6 . 1 1 239 239 LYS H H 239 8.180 8.180 7.957 0.223 19038 1923 1 6 . 1 1 241 241 MET N N 241 120.400 120.400 120.698 -0.298 19038 1924 1 6 . 1 1 241 241 MET H H 241 8.140 8.140 7.911 0.229 19038 1925 1 6 . 1 1 243 243 GLY N N 243 106.400 106.400 107.915 -1.515 19038 1926 1 6 . 1 1 243 243 GLY H H 243 8.740 8.740 8.205 0.535 19038 1927 1 6 . 1 1 254 254 VAL N N 254 118.500 118.500 119.156 -0.656 19038 1928 1 6 . 1 1 254 254 VAL H H 254 7.060 7.060 8.410 -1.350 19038 1929 1 6 . 1 1 260 260 SER N N 260 109.100 109.100 114.993 -5.893 19038 1930 1 6 . 1 1 260 260 SER H H 260 7.030 7.030 7.733 -0.703 19038 1931 1 6 . 1 1 261 261 MET N N 261 118.900 118.900 119.931 -1.031 19038 1932 1 6 . 1 1 261 261 MET H H 261 6.470 6.470 7.994 -1.524 19038 1933 1 6 . 1 1 266 266 LYS N N 266 116.400 116.400 116.354 0.046 19038 1934 1 6 . 1 1 266 266 LYS H H 266 7.260 7.260 7.287 -0.027 19038 1935 1 6 . 1 1 267 267 SER N N 267 114.800 114.800 114.609 0.191 19038 1936 1 6 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 1937 1 6 . 1 1 269 269 GLU N N 269 117.700 117.700 118.984 -1.284 19038 1938 1 6 . 1 1 269 269 GLU H H 269 8.990 8.990 8.585 0.405 19038 1939 1 6 . 1 1 271 271 ARG N N 271 117.900 117.900 119.294 -1.394 19038 1940 1 6 . 1 1 271 271 ARG H H 271 7.550 7.550 7.738 -0.188 19038 1941 1 6 . 1 1 273 273 GLU N N 273 119.200 119.200 120.701 -1.501 19038 1942 1 6 . 1 1 273 273 GLU H H 273 7.470 7.470 7.790 -0.320 19038 1943 1 6 . 1 1 274 274 LEU N N 274 115.700 115.700 118.589 -2.889 19038 1944 1 6 . 1 1 274 274 LEU H H 274 6.990 6.990 7.673 -0.683 19038 1945 1 6 . 1 1 275 275 ILE N N 275 122.000 122.000 118.918 3.082 19038 1946 1 6 . 1 1 275 275 ILE H H 275 7.570 7.570 7.921 -0.351 19038 1947 1 6 . 1 1 276 276 GLN N N 276 116.600 116.600 118.763 -2.163 19038 1948 1 6 . 1 1 276 276 GLN H H 276 7.500 7.500 8.032 -0.532 19038 1949 1 6 . 1 1 279 279 GLU N N 279 122.500 122.500 117.424 5.076 19038 1950 1 6 . 1 1 279 279 GLU H H 279 10.010 10.010 8.849 1.161 19038 1951 1 6 . 1 1 280 280 ARG N N 280 121.300 121.300 118.223 3.077 19038 1952 1 6 . 1 1 280 280 ARG H H 280 8.500 8.500 7.469 1.031 19038 1953 1 6 . 1 1 284 284 ALA N N 284 123.100 123.100 121.686 1.414 19038 1954 1 6 . 1 1 284 284 ALA H H 284 8.510 8.510 8.245 0.265 19038 1955 1 6 . 1 1 291 291 ARG N N 291 119.500 119.500 120.794 -1.294 19038 1956 1 6 . 1 1 291 291 ARG H H 291 8.210 8.210 7.802 0.408 19038 1957 1 6 . 1 1 292 292 PHE N N 292 115.500 115.500 117.258 -1.758 19038 1958 1 6 . 1 1 292 292 PHE H H 292 8.570 8.570 7.792 0.778 19038 1959 1 6 . 1 1 293 293 SER N N 293 110.600 110.600 115.963 -5.363 19038 1960 1 6 . 1 1 293 293 SER H H 293 5.950 5.950 7.435 -1.485 19038 1961 1 6 . 1 1 299 299 ARG N N 299 117.700 117.700 117.336 0.364 19038 1962 1 6 . 1 1 299 299 ARG H H 299 8.260 8.260 8.287 -0.027 19038 1963 1 6 . 1 1 300 300 ILE N N 300 122.000 122.000 120.207 1.793 19038 1964 1 6 . 1 1 300 300 ILE H H 300 9.560 9.560 8.441 1.119 19038 1965 1 6 . 1 1 301 301 LEU N N 301 131.900 131.900 128.508 3.392 19038 1966 1 6 . 1 1 301 301 LEU H H 301 8.800 8.800 8.938 -0.138 19038 1967 1 6 . 1 1 302 302 THR N N 302 116.800 116.800 116.146 0.654 19038 1968 1 6 . 1 1 302 302 THR H H 302 8.680 8.680 8.818 -0.138 19038 1969 1 6 . 1 1 303 303 SER N N 303 112.900 112.900 115.374 -2.474 19038 1970 1 6 . 1 1 303 303 SER H H 303 7.500 7.500 7.486 0.014 19038 1971 1 6 . 1 1 304 304 ASP N N 304 121.800 121.800 121.111 0.689 19038 1972 1 6 . 1 1 304 304 ASP H H 304 8.500 8.500 8.590 -0.090 19038 1973 1 6 . 1 1 305 305 TYR N N 305 126.500 126.500 123.410 3.090 19038 1974 1 6 . 1 1 305 305 TYR H H 305 8.390 8.390 8.489 -0.099 19038 1975 1 6 . 1 1 306 306 GLU N N 306 130.500 130.500 128.993 1.507 19038 1976 1 6 . 1 1 306 306 GLU H H 306 7.720 7.720 8.319 -0.599 19038 1977 1 6 . 1 1 307 307 PHE N N 307 130.200 130.200 128.936 1.264 19038 1978 1 6 . 1 1 307 307 PHE H H 307 8.480 8.480 8.628 -0.148 19038 1979 1 6 . 1 1 308 308 HIS N N 308 124.200 124.200 126.291 -2.091 19038 1980 1 6 . 1 1 308 308 HIS H H 308 8.980 8.980 8.826 0.154 19038 1981 1 6 . 1 1 309 309 GLY N N 309 102.900 102.900 103.442 -0.542 19038 1982 1 6 . 1 1 309 309 GLY H H 309 8.360 8.360 8.227 0.133 19038 1983 1 6 . 1 1 310 310 VAL N N 310 124.100 124.100 121.335 2.765 19038 1984 1 6 . 1 1 310 310 VAL H H 310 7.500 7.500 7.248 0.252 19038 1985 1 6 . 1 1 311 311 GLN N N 311 126.400 126.400 125.160 1.240 19038 1986 1 6 . 1 1 311 311 GLN H H 311 8.400 8.400 8.594 -0.194 19038 1987 1 6 . 1 1 312 312 LEU N N 312 128.800 128.800 126.150 2.650 19038 1988 1 6 . 1 1 312 312 LEU H H 312 8.630 8.630 8.378 0.252 19038 1989 1 6 . 1 1 313 313 LYS N N 313 125.100 125.100 121.583 3.517 19038 1990 1 6 . 1 1 313 313 LYS H H 313 8.550 8.550 8.958 -0.408 19038 1991 1 6 . 1 1 314 314 LYS N N 314 122.300 122.300 126.445 -4.145 19038 1992 1 6 . 1 1 314 314 LYS H H 314 8.730 8.730 8.917 -0.187 19038 1993 1 6 . 1 1 315 315 GLY N N 315 117.700 117.700 115.306 2.394 19038 1994 1 6 . 1 1 315 315 GLY H H 315 8.590 8.590 9.017 -0.427 19038 1995 1 6 . 1 1 316 316 ASP N N 316 123.100 123.100 123.050 0.050 19038 1996 1 6 . 1 1 316 316 ASP H H 316 8.960 8.960 8.350 0.610 19038 1997 1 6 . 1 1 317 317 GLN N N 317 119.300 119.300 121.614 -2.314 19038 1998 1 6 . 1 1 317 317 GLN H H 317 9.500 9.500 9.017 0.483 19038 1999 1 6 . 1 1 319 319 LEU N N 319 131.600 131.600 130.550 1.050 19038 2000 1 6 . 1 1 319 319 LEU H H 319 9.090 9.090 9.202 -0.112 19038 2001 1 6 . 1 1 320 320 LEU N N 320 132.200 132.200 128.697 3.503 19038 2002 1 6 . 1 1 320 320 LEU H H 320 8.860 8.860 7.950 0.910 19038 2003 1 6 . 1 1 323 323 MET N N 323 113.300 113.300 118.629 -5.329 19038 2004 1 6 . 1 1 323 323 MET H H 323 7.600 7.600 7.330 0.270 19038 2005 1 6 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 2006 1 6 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 2007 1 6 . 1 1 330 330 ARG N N 330 119.300 119.300 117.081 2.219 19038 2008 1 6 . 1 1 330 330 ARG H H 330 8.630 8.630 8.141 0.489 19038 2009 1 6 . 1 1 332 332 ASN N N 332 117.000 117.000 117.467 -0.467 19038 2010 1 6 . 1 1 332 332 ASN H H 332 7.830 7.830 8.159 -0.329 19038 2011 1 6 . 1 1 333 333 ALA N N 333 124.700 124.700 125.331 -0.631 19038 2012 1 6 . 1 1 333 333 ALA H H 333 8.510 8.510 8.602 -0.092 19038 2013 1 6 . 1 1 334 334 CYS N N 334 123.200 123.200 118.640 4.560 19038 2014 1 6 . 1 1 334 334 CYS H H 334 9.200 9.200 9.215 -0.015 19038 2015 1 6 . 1 1 336 336 MET N N 336 116.200 116.200 114.134 2.066 19038 2016 1 6 . 1 1 336 336 MET H H 336 8.750 8.750 8.060 0.690 19038 2017 1 6 . 1 1 338 338 VAL N N 338 127.100 127.100 127.589 -0.489 19038 2018 1 6 . 1 1 338 338 VAL H H 338 8.060 8.060 8.160 -0.100 19038 2019 1 6 . 1 1 339 339 ASP N N 339 131.600 131.600 127.693 3.907 19038 2020 1 6 . 1 1 339 339 ASP H H 339 10.090 10.090 8.822 1.268 19038 2021 1 6 . 1 1 340 340 PHE N N 340 124.800 124.800 124.420 0.380 19038 2022 1 6 . 1 1 340 340 PHE H H 340 9.520 9.520 8.721 0.799 19038 2023 1 6 . 1 1 341 341 SER N N 341 116.500 116.500 112.007 4.493 19038 2024 1 6 . 1 1 341 341 SER H H 341 8.670 8.670 7.924 0.746 19038 2025 1 6 . 1 1 342 342 ARG N N 342 124.700 124.700 123.029 1.671 19038 2026 1 6 . 1 1 342 342 ARG H H 342 7.170 7.170 7.519 -0.349 19038 2027 1 6 . 1 1 347 347 HIS N N 347 121.900 121.900 121.273 0.627 19038 2028 1 6 . 1 1 347 347 HIS H H 347 8.190 8.190 8.811 -0.621 19038 2029 1 6 . 1 1 356 356 LEU N N 356 119.400 119.400 121.963 -2.563 19038 2030 1 6 . 1 1 356 356 LEU H H 356 6.890 6.890 7.444 -0.554 19038 2031 1 6 . 1 1 360 360 GLN N N 360 118.500 118.500 119.611 -1.111 19038 2032 1 6 . 1 1 360 360 GLN H H 360 8.690 8.690 7.435 1.255 19038 2033 1 6 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 2034 1 6 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 2035 1 6 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 2036 1 6 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 2037 1 6 . 1 1 382 382 SER N N 382 111.600 111.600 114.344 -2.744 19038 2038 1 6 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 2039 1 6 . 1 1 384 384 ALA N N 384 132.000 132.000 130.855 1.145 19038 2040 1 6 . 1 1 384 384 ALA H H 384 8.150 8.150 8.637 -0.487 19038 2041 1 6 . 1 1 387 387 ALA N N 387 124.100 124.100 123.898 0.202 19038 2042 1 6 . 1 1 387 387 ALA H H 387 7.580 7.580 7.668 -0.088 19038 2043 1 6 . 1 1 388 388 GLN N N 388 123.000 123.000 121.729 1.271 19038 2044 1 6 . 1 1 388 388 GLN H H 388 8.410 8.410 8.487 -0.077 19038 2045 1 6 . 1 1 389 389 ILE N N 389 127.100 127.100 124.740 2.360 19038 2046 1 6 . 1 1 389 389 ILE H H 389 8.580 8.580 8.526 0.054 19038 2047 1 6 . 1 1 390 390 GLN N N 390 130.000 130.000 126.538 3.462 19038 2048 1 6 . 1 1 390 390 GLN H H 390 9.520 9.520 8.787 0.733 19038 2049 1 6 . 1 1 391 391 HIS N N 391 125.800 125.800 121.400 4.400 19038 2050 1 6 . 1 1 391 391 HIS H H 391 9.010 9.010 8.655 0.355 19038 2051 1 6 . 1 1 392 392 LYS N N 392 119.200 119.200 119.581 -0.381 19038 2052 1 6 . 1 1 392 392 LYS H H 392 8.890 8.890 8.895 -0.005 19038 2053 1 6 . 1 1 394 394 GLY N N 394 110.200 110.200 108.861 1.339 19038 2054 1 6 . 1 1 394 394 GLY H H 394 6.690 6.690 7.970 -1.280 19038 2055 1 6 . 1 1 395 395 ILE N N 395 125.600 125.600 120.781 4.819 19038 2056 1 6 . 1 1 395 395 ILE H H 395 8.330 8.330 8.018 0.312 19038 2057 1 6 . 1 1 398 398 GLY N N 398 103.000 103.000 107.685 -4.685 19038 2058 1 6 . 1 1 398 398 GLY H H 398 8.500 8.500 8.449 0.051 19038 2059 1 6 . 1 1 400 400 GLN N N 400 126.200 126.200 126.269 -0.069 19038 2060 1 6 . 1 1 400 400 GLN H H 400 8.900 8.900 8.842 0.058 19038 2061 1 6 . 1 1 401 401 ALA N N 401 117.600 117.600 117.671 -0.071 19038 2062 1 6 . 1 1 401 401 ALA H H 401 7.290 7.290 7.813 -0.523 19038 2063 1 6 . 1 1 402 402 LEU N N 402 119.900 119.900 121.747 -1.847 19038 2064 1 6 . 1 1 402 402 LEU H H 402 8.620 8.620 8.613 0.007 19038 2065 1 6 . 1 1 405 405 VAL N N 405 114.400 114.400 113.899 0.501 19038 2066 1 6 . 1 1 405 405 VAL H H 405 9.210 9.210 9.016 0.194 19038 2067 1 6 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 2068 1 6 . 1 1 409 409 ALA H H 409 8.630 8.630 7.882 0.748 19038 2069 1 6 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 2070 1 6 . 1 1 410 410 THR H H 410 8.120 8.120 7.857 0.263 19038 2071 1 6 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 2072 1 6 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 2073 1 6 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 2074 1 6 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 2075 1 6 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 2076 1 6 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 2077 1 7 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 2078 1 7 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 2079 1 7 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 2080 1 7 . 1 1 14 14 LEU H H 14 8.400 8.400 8.233 0.167 19038 2081 1 7 . 1 1 17 17 HIS N N 17 111.900 111.900 115.147 -3.247 19038 2082 1 7 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.153 19038 2083 1 7 . 1 1 18 18 VAL N N 18 127.700 127.700 123.312 4.388 19038 2084 1 7 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 2085 1 7 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 2086 1 7 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 2087 1 7 . 1 1 21 21 HIS N N 21 114.200 114.200 114.436 -0.236 19038 2088 1 7 . 1 1 21 21 HIS H H 21 7.830 7.830 8.284 -0.454 19038 2089 1 7 . 1 1 22 22 LEU N N 22 119.300 119.300 119.787 -0.487 19038 2090 1 7 . 1 1 22 22 LEU H H 22 7.140 7.140 7.317 -0.177 19038 2091 1 7 . 1 1 23 23 VAL N N 23 120.900 120.900 120.675 0.225 19038 2092 1 7 . 1 1 23 23 VAL H H 23 7.080 7.080 7.401 -0.321 19038 2093 1 7 . 1 1 24 24 PHE N N 24 133.900 133.900 128.588 5.312 19038 2094 1 7 . 1 1 24 24 PHE H H 24 9.200 9.200 8.817 0.383 19038 2095 1 7 . 1 1 25 25 ASP N N 25 126.600 126.600 129.535 -2.935 19038 2096 1 7 . 1 1 25 25 ASP H H 25 8.100 8.100 8.387 -0.287 19038 2097 1 7 . 1 1 26 26 PHE N N 26 125.200 125.200 123.457 1.743 19038 2098 1 7 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 2099 1 7 . 1 1 27 27 ASP N N 27 133.400 133.400 128.832 4.568 19038 2100 1 7 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 2101 1 7 . 1 1 30 30 ASN N N 30 116.600 116.600 117.241 -0.641 19038 2102 1 7 . 1 1 30 30 ASN H H 30 6.670 6.670 7.372 -0.702 19038 2103 1 7 . 1 1 34 34 LEU N N 34 120.200 120.200 122.732 -2.532 19038 2104 1 7 . 1 1 34 34 LEU H H 34 7.180 7.180 7.520 -0.340 19038 2105 1 7 . 1 1 35 35 SER N N 35 114.900 114.900 114.916 -0.016 19038 2106 1 7 . 1 1 35 35 SER H H 35 8.540 8.540 8.542 -0.002 19038 2107 1 7 . 1 1 36 36 ALA N N 36 124.900 124.900 123.017 1.883 19038 2108 1 7 . 1 1 36 36 ALA H H 36 7.770 7.770 7.354 0.416 19038 2109 1 7 . 1 1 37 37 GLY N N 37 110.000 110.000 105.259 4.741 19038 2110 1 7 . 1 1 37 37 GLY H H 37 7.370 7.370 7.338 0.032 19038 2111 1 7 . 1 1 39 39 GLN N N 39 122.900 122.900 117.738 5.162 19038 2112 1 7 . 1 1 39 39 GLN H H 39 7.700 7.700 8.941 -1.241 19038 2113 1 7 . 1 1 40 40 GLU N N 40 121.500 121.500 119.588 1.912 19038 2114 1 7 . 1 1 40 40 GLU H H 40 9.850 9.850 8.296 1.554 19038 2115 1 7 . 1 1 44 44 VAL N N 44 120.000 120.000 116.710 3.290 19038 2116 1 7 . 1 1 44 44 VAL H H 44 7.090 7.090 7.492 -0.402 19038 2117 1 7 . 1 1 46 46 GLN N N 46 112.500 112.500 114.750 -2.250 19038 2118 1 7 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 2119 1 7 . 1 1 47 47 GLU N N 47 121.500 121.500 121.536 -0.036 19038 2120 1 7 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 2121 1 7 . 1 1 48 48 SER N N 48 116.000 116.000 118.300 -2.300 19038 2122 1 7 . 1 1 48 48 SER H H 48 8.560 8.560 8.812 -0.252 19038 2123 1 7 . 1 1 49 49 ASN N N 49 116.900 116.900 117.472 -0.572 19038 2124 1 7 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 2125 1 7 . 1 1 50 50 VAL N N 50 126.200 126.200 123.637 2.563 19038 2126 1 7 . 1 1 50 50 VAL H H 50 7.700 7.700 7.501 0.199 19038 2127 1 7 . 1 1 52 52 ASP N N 52 118.000 118.000 117.602 0.398 19038 2128 1 7 . 1 1 52 52 ASP H H 52 8.040 8.040 8.465 -0.425 19038 2129 1 7 . 1 1 54 54 VAL N N 54 114.000 114.000 120.505 -6.505 19038 2130 1 7 . 1 1 54 54 VAL H H 54 8.530 8.530 8.026 0.504 19038 2131 1 7 . 1 1 55 55 TRP N N 55 123.300 123.300 123.109 0.191 19038 2132 1 7 . 1 1 55 55 TRP H H 55 8.920 8.920 9.313 -0.393 19038 2133 1 7 . 1 1 56 56 THR N N 56 120.300 120.300 122.418 -2.118 19038 2134 1 7 . 1 1 56 56 THR H H 56 7.860 7.860 7.845 0.015 19038 2135 1 7 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 2136 1 7 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 2137 1 7 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 2138 1 7 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 2139 1 7 . 1 1 61 61 GLY N N 61 112.200 112.200 110.004 2.196 19038 2140 1 7 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 2141 1 7 . 1 1 62 62 HIS N N 62 121.900 121.900 115.745 6.155 19038 2142 1 7 . 1 1 62 62 HIS H H 62 7.100 7.100 6.851 0.249 19038 2143 1 7 . 1 1 64 64 ILE N N 64 126.000 126.000 119.880 6.120 19038 2144 1 7 . 1 1 64 64 ILE H H 64 10.360 10.360 8.942 1.418 19038 2145 1 7 . 1 1 65 65 ALA N N 65 128.900 128.900 131.120 -2.220 19038 2146 1 7 . 1 1 65 65 ALA H H 65 7.840 7.840 8.113 -0.273 19038 2147 1 7 . 1 1 66 66 THR N N 66 109.300 109.300 115.551 -6.251 19038 2148 1 7 . 1 1 66 66 THR H H 66 8.600 8.600 8.638 -0.038 19038 2149 1 7 . 1 1 67 67 ARG N N 67 115.000 115.000 120.513 -5.513 19038 2150 1 7 . 1 1 67 67 ARG H H 67 6.420 6.420 7.294 -0.874 19038 2151 1 7 . 1 1 68 68 GLY N N 68 112.600 112.600 109.936 2.664 19038 2152 1 7 . 1 1 68 68 GLY H H 68 10.340 10.340 9.268 1.072 19038 2153 1 7 . 1 1 69 69 GLN N N 69 120.100 120.100 121.127 -1.027 19038 2154 1 7 . 1 1 69 69 GLN H H 69 8.910 8.910 8.113 0.797 19038 2155 1 7 . 1 1 70 70 LEU N N 70 117.400 117.400 119.224 -1.824 19038 2156 1 7 . 1 1 70 70 LEU H H 70 6.410 6.410 7.839 -1.429 19038 2157 1 7 . 1 1 73 73 GLU N N 73 115.100 115.100 119.623 -4.523 19038 2158 1 7 . 1 1 73 73 GLU H H 73 7.780 7.780 7.840 -0.060 19038 2159 1 7 . 1 1 74 74 ALA N N 74 121.500 121.500 121.391 0.109 19038 2160 1 7 . 1 1 74 74 ALA H H 74 8.150 8.150 7.742 0.408 19038 2161 1 7 . 1 1 78 78 TYR N N 78 121.800 121.800 122.588 -0.788 19038 2162 1 7 . 1 1 78 78 TYR H H 78 7.350 7.350 7.633 -0.283 19038 2163 1 7 . 1 1 83 83 SER N N 83 127.400 127.400 121.692 5.708 19038 2164 1 7 . 1 1 83 83 SER H H 83 9.970 9.970 9.386 0.584 19038 2165 1 7 . 1 1 85 85 CYS N N 85 111.600 111.600 116.954 -5.354 19038 2166 1 7 . 1 1 85 85 CYS H H 85 5.690 5.690 7.941 -2.251 19038 2167 1 7 . 1 1 90 90 ARG N N 90 124.800 124.800 127.215 -2.415 19038 2168 1 7 . 1 1 90 90 ARG H H 90 9.410 9.410 8.821 0.589 19038 2169 1 7 . 1 1 91 91 GLU N N 91 116.300 116.300 116.130 0.170 19038 2170 1 7 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 2171 1 7 . 1 1 92 92 ALA N N 92 123.600 123.600 122.329 1.271 19038 2172 1 7 . 1 1 92 92 ALA H H 92 7.120 7.120 8.611 -1.491 19038 2173 1 7 . 1 1 93 93 GLY N N 93 104.600 104.600 106.351 -1.751 19038 2174 1 7 . 1 1 93 93 GLY H H 93 7.350 7.350 7.722 -0.372 19038 2175 1 7 . 1 1 95 95 ALA N N 95 120.400 120.400 121.640 -1.240 19038 2176 1 7 . 1 1 95 95 ALA H H 95 6.820 6.820 7.484 -0.664 19038 2177 1 7 . 1 1 96 96 TYR N N 96 121.800 121.800 120.712 1.088 19038 2178 1 7 . 1 1 96 96 TYR H H 96 7.300 7.300 7.412 -0.112 19038 2179 1 7 . 1 1 107 107 GLU N N 107 128.200 128.200 118.927 9.273 19038 2180 1 7 . 1 1 107 107 GLU H H 107 8.760 8.760 8.400 0.360 19038 2181 1 7 . 1 1 109 109 ARG N N 109 119.400 119.400 119.241 0.159 19038 2182 1 7 . 1 1 109 109 ARG H H 109 7.590 7.590 8.139 -0.549 19038 2183 1 7 . 1 1 111 111 PHE N N 111 118.100 118.100 117.895 0.205 19038 2184 1 7 . 1 1 111 111 PHE H H 111 7.130 7.130 7.756 -0.626 19038 2185 1 7 . 1 1 126 126 LYS N N 126 119.200 119.200 120.312 -1.112 19038 2186 1 7 . 1 1 126 126 LYS H H 126 7.220 7.220 7.459 -0.239 19038 2187 1 7 . 1 1 130 130 ARG N N 130 121.500 121.500 119.671 1.829 19038 2188 1 7 . 1 1 130 130 ARG H H 130 7.790 7.790 8.245 -0.455 19038 2189 1 7 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 2190 1 7 . 1 1 137 137 SER H H 137 8.320 8.320 8.248 0.072 19038 2191 1 7 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 2192 1 7 . 1 1 140 140 GLU H H 140 8.590 8.590 8.079 0.511 19038 2193 1 7 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 2194 1 7 . 1 1 141 141 SER H H 141 7.480 7.480 7.877 -0.397 19038 2195 1 7 . 1 1 145 145 GLN N N 145 114.300 114.300 118.179 -3.879 19038 2196 1 7 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 2197 1 7 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 2198 1 7 . 1 1 146 146 GLY H H 146 6.490 6.490 7.892 -1.402 19038 2199 1 7 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 2200 1 7 . 1 1 147 147 GLN H H 147 5.880 5.880 6.833 -0.953 19038 2201 1 7 . 1 1 148 148 CYS N N 148 110.800 110.800 115.358 -4.558 19038 2202 1 7 . 1 1 148 148 CYS H H 148 8.230 8.230 8.541 -0.311 19038 2203 1 7 . 1 1 149 149 ASN N N 149 120.100 120.100 121.073 -0.973 19038 2204 1 7 . 1 1 149 149 ASN H H 149 9.130 9.130 9.073 0.057 19038 2205 1 7 . 1 1 150 150 PHE N N 150 124.300 124.300 125.444 -1.144 19038 2206 1 7 . 1 1 150 150 PHE H H 150 9.280 9.280 8.074 1.206 19038 2207 1 7 . 1 1 151 151 THR N N 151 109.000 109.000 110.574 -1.574 19038 2208 1 7 . 1 1 151 151 THR H H 151 7.180 7.180 8.227 -1.047 19038 2209 1 7 . 1 1 152 152 GLU N N 152 119.000 119.000 120.519 -1.519 19038 2210 1 7 . 1 1 152 152 GLU H H 152 6.250 6.250 7.791 -1.541 19038 2211 1 7 . 1 1 153 153 ASP N N 153 115.000 115.000 117.734 -2.734 19038 2212 1 7 . 1 1 153 153 ASP H H 153 8.580 8.580 8.370 0.210 19038 2213 1 7 . 1 1 154 154 TYR N N 154 116.500 116.500 118.354 -1.854 19038 2214 1 7 . 1 1 154 154 TYR H H 154 7.160 7.160 7.636 -0.476 19038 2215 1 7 . 1 1 156 156 GLU N N 156 106.900 106.900 117.008 -10.108 19038 2216 1 7 . 1 1 156 156 GLU H H 156 7.570 7.570 7.728 -0.158 19038 2217 1 7 . 1 1 163 163 PHE N N 163 121.800 121.800 121.927 -0.127 19038 2218 1 7 . 1 1 163 163 PHE H H 163 7.950 7.950 7.471 0.479 19038 2219 1 7 . 1 1 168 168 GLY N N 168 109.500 109.500 106.298 3.202 19038 2220 1 7 . 1 1 168 168 GLY H H 168 7.900 7.900 7.560 0.340 19038 2221 1 7 . 1 1 169 169 LEU N N 169 122.800 122.800 119.997 2.803 19038 2222 1 7 . 1 1 169 169 LEU H H 169 8.490 8.490 8.079 0.411 19038 2223 1 7 . 1 1 171 171 GLU N N 171 123.500 123.500 123.464 0.036 19038 2224 1 7 . 1 1 171 171 GLU H H 171 8.790 8.790 9.026 -0.236 19038 2225 1 7 . 1 1 172 172 GLU N N 172 120.500 120.500 118.333 2.167 19038 2226 1 7 . 1 1 172 172 GLU H H 172 9.410 9.410 8.557 0.853 19038 2227 1 7 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 2228 1 7 . 1 1 189 189 GLY H H 189 8.490 8.490 8.235 0.255 19038 2229 1 7 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 2230 1 7 . 1 1 193 193 PHE H H 193 8.550 8.550 8.642 -0.092 19038 2231 1 7 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 2232 1 7 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 2233 1 7 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 2234 1 7 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 2235 1 7 . 1 1 200 200 LEU N N 200 124.400 124.400 120.126 4.274 19038 2236 1 7 . 1 1 200 200 LEU H H 200 7.850 7.850 7.636 0.214 19038 2237 1 7 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 2238 1 7 . 1 1 207 207 ILE H H 207 6.540 6.540 7.009 -0.469 19038 2239 1 7 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 2240 1 7 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 2241 1 7 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 2242 1 7 . 1 1 214 214 LYS H H 214 8.040 8.040 8.148 -0.108 19038 2243 1 7 . 1 1 216 216 GLY N N 216 111.500 111.500 111.374 0.126 19038 2244 1 7 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 2245 1 7 . 1 1 219 219 ALA N N 219 118.900 118.900 121.639 -2.739 19038 2246 1 7 . 1 1 219 219 ALA H H 219 8.540 8.540 8.407 0.133 19038 2247 1 7 . 1 1 223 223 VAL N N 223 119.500 119.500 118.796 0.704 19038 2248 1 7 . 1 1 223 223 VAL H H 223 7.900 7.900 8.129 -0.229 19038 2249 1 7 . 1 1 224 224 ALA N N 224 116.800 116.800 122.675 -5.875 19038 2250 1 7 . 1 1 224 224 ALA H H 224 9.020 9.020 8.370 0.650 19038 2251 1 7 . 1 1 226 226 GLY N N 226 110.200 110.200 107.869 2.331 19038 2252 1 7 . 1 1 226 226 GLY H H 226 7.700 7.700 7.423 0.277 19038 2253 1 7 . 1 1 227 227 GLN N N 227 118.700 118.700 118.165 0.535 19038 2254 1 7 . 1 1 227 227 GLN H H 227 8.170 8.170 8.453 -0.282 19038 2255 1 7 . 1 1 228 228 VAL N N 228 117.900 117.900 118.707 -0.807 19038 2256 1 7 . 1 1 228 228 VAL H H 228 8.900 8.900 8.976 -0.076 19038 2257 1 7 . 1 1 229 229 ASN N N 229 121.900 121.900 126.602 -4.702 19038 2258 1 7 . 1 1 229 229 ASN H H 229 8.900 8.900 9.136 -0.236 19038 2259 1 7 . 1 1 230 230 GLY N N 230 103.600 103.600 101.731 1.869 19038 2260 1 7 . 1 1 230 230 GLY H H 230 8.580 8.580 8.379 0.201 19038 2261 1 7 . 1 1 231 231 ARG N N 231 119.300 119.300 119.881 -0.581 19038 2262 1 7 . 1 1 231 231 ARG H H 231 7.950 7.950 7.584 0.366 19038 2263 1 7 . 1 1 233 233 ILE N N 233 127.400 127.400 127.400 0.000 19038 2264 1 7 . 1 1 233 233 ILE H H 233 8.250 8.250 8.352 -0.102 19038 2265 1 7 . 1 1 238 238 ALA N N 238 119.900 119.900 122.098 -2.198 19038 2266 1 7 . 1 1 238 238 ALA H H 238 8.610 8.610 8.164 0.446 19038 2267 1 7 . 1 1 239 239 LYS N N 239 122.500 122.500 118.693 3.807 19038 2268 1 7 . 1 1 239 239 LYS H H 239 8.180 8.180 7.957 0.223 19038 2269 1 7 . 1 1 241 241 MET N N 241 120.400 120.400 120.698 -0.298 19038 2270 1 7 . 1 1 241 241 MET H H 241 8.140 8.140 7.911 0.229 19038 2271 1 7 . 1 1 243 243 GLY N N 243 106.400 106.400 107.915 -1.515 19038 2272 1 7 . 1 1 243 243 GLY H H 243 8.740 8.740 8.205 0.535 19038 2273 1 7 . 1 1 254 254 VAL N N 254 118.500 118.500 119.156 -0.656 19038 2274 1 7 . 1 1 254 254 VAL H H 254 7.060 7.060 8.410 -1.350 19038 2275 1 7 . 1 1 260 260 SER N N 260 109.100 109.100 114.993 -5.893 19038 2276 1 7 . 1 1 260 260 SER H H 260 7.030 7.030 7.733 -0.703 19038 2277 1 7 . 1 1 261 261 MET N N 261 118.900 118.900 119.931 -1.031 19038 2278 1 7 . 1 1 261 261 MET H H 261 6.470 6.470 7.994 -1.524 19038 2279 1 7 . 1 1 266 266 LYS N N 266 116.400 116.400 116.354 0.046 19038 2280 1 7 . 1 1 266 266 LYS H H 266 7.260 7.260 7.287 -0.027 19038 2281 1 7 . 1 1 267 267 SER N N 267 114.800 114.800 114.609 0.191 19038 2282 1 7 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 2283 1 7 . 1 1 269 269 GLU N N 269 117.700 117.700 118.984 -1.284 19038 2284 1 7 . 1 1 269 269 GLU H H 269 8.990 8.990 8.585 0.405 19038 2285 1 7 . 1 1 271 271 ARG N N 271 117.900 117.900 119.294 -1.394 19038 2286 1 7 . 1 1 271 271 ARG H H 271 7.550 7.550 7.738 -0.188 19038 2287 1 7 . 1 1 273 273 GLU N N 273 119.200 119.200 120.701 -1.501 19038 2288 1 7 . 1 1 273 273 GLU H H 273 7.470 7.470 7.790 -0.320 19038 2289 1 7 . 1 1 274 274 LEU N N 274 115.700 115.700 118.589 -2.889 19038 2290 1 7 . 1 1 274 274 LEU H H 274 6.990 6.990 7.673 -0.683 19038 2291 1 7 . 1 1 275 275 ILE N N 275 122.000 122.000 118.918 3.082 19038 2292 1 7 . 1 1 275 275 ILE H H 275 7.570 7.570 7.921 -0.351 19038 2293 1 7 . 1 1 276 276 GLN N N 276 116.600 116.600 118.763 -2.163 19038 2294 1 7 . 1 1 276 276 GLN H H 276 7.500 7.500 8.033 -0.533 19038 2295 1 7 . 1 1 279 279 GLU N N 279 122.500 122.500 117.425 5.075 19038 2296 1 7 . 1 1 279 279 GLU H H 279 10.010 10.010 8.849 1.161 19038 2297 1 7 . 1 1 280 280 ARG N N 280 121.300 121.300 118.224 3.076 19038 2298 1 7 . 1 1 280 280 ARG H H 280 8.500 8.500 7.469 1.031 19038 2299 1 7 . 1 1 284 284 ALA N N 284 123.100 123.100 121.686 1.414 19038 2300 1 7 . 1 1 284 284 ALA H H 284 8.510 8.510 8.245 0.265 19038 2301 1 7 . 1 1 291 291 ARG N N 291 119.500 119.500 120.793 -1.293 19038 2302 1 7 . 1 1 291 291 ARG H H 291 8.210 8.210 7.802 0.408 19038 2303 1 7 . 1 1 292 292 PHE N N 292 115.500 115.500 117.257 -1.757 19038 2304 1 7 . 1 1 292 292 PHE H H 292 8.570 8.570 7.792 0.778 19038 2305 1 7 . 1 1 293 293 SER N N 293 110.600 110.600 115.962 -5.362 19038 2306 1 7 . 1 1 293 293 SER H H 293 5.950 5.950 7.435 -1.485 19038 2307 1 7 . 1 1 299 299 ARG N N 299 117.700 117.700 117.336 0.364 19038 2308 1 7 . 1 1 299 299 ARG H H 299 8.260 8.260 8.287 -0.027 19038 2309 1 7 . 1 1 300 300 ILE N N 300 122.000 122.000 120.207 1.793 19038 2310 1 7 . 1 1 300 300 ILE H H 300 9.560 9.560 8.441 1.119 19038 2311 1 7 . 1 1 301 301 LEU N N 301 131.900 131.900 128.508 3.392 19038 2312 1 7 . 1 1 301 301 LEU H H 301 8.800 8.800 8.938 -0.138 19038 2313 1 7 . 1 1 302 302 THR N N 302 116.800 116.800 116.145 0.655 19038 2314 1 7 . 1 1 302 302 THR H H 302 8.680 8.680 8.817 -0.137 19038 2315 1 7 . 1 1 303 303 SER N N 303 112.900 112.900 115.373 -2.473 19038 2316 1 7 . 1 1 303 303 SER H H 303 7.500 7.500 7.485 0.015 19038 2317 1 7 . 1 1 304 304 ASP N N 304 121.800 121.800 121.111 0.689 19038 2318 1 7 . 1 1 304 304 ASP H H 304 8.500 8.500 8.590 -0.090 19038 2319 1 7 . 1 1 305 305 TYR N N 305 126.500 126.500 123.410 3.090 19038 2320 1 7 . 1 1 305 305 TYR H H 305 8.390 8.390 8.488 -0.098 19038 2321 1 7 . 1 1 306 306 GLU N N 306 130.500 130.500 128.993 1.507 19038 2322 1 7 . 1 1 306 306 GLU H H 306 7.720 7.720 8.319 -0.599 19038 2323 1 7 . 1 1 307 307 PHE N N 307 130.200 130.200 128.936 1.264 19038 2324 1 7 . 1 1 307 307 PHE H H 307 8.480 8.480 8.628 -0.148 19038 2325 1 7 . 1 1 308 308 HIS N N 308 124.200 124.200 126.291 -2.091 19038 2326 1 7 . 1 1 308 308 HIS H H 308 8.980 8.980 8.826 0.154 19038 2327 1 7 . 1 1 309 309 GLY N N 309 102.900 102.900 103.442 -0.542 19038 2328 1 7 . 1 1 309 309 GLY H H 309 8.360 8.360 8.227 0.133 19038 2329 1 7 . 1 1 310 310 VAL N N 310 124.100 124.100 121.335 2.765 19038 2330 1 7 . 1 1 310 310 VAL H H 310 7.500 7.500 7.248 0.252 19038 2331 1 7 . 1 1 311 311 GLN N N 311 126.400 126.400 125.160 1.240 19038 2332 1 7 . 1 1 311 311 GLN H H 311 8.400 8.400 8.594 -0.194 19038 2333 1 7 . 1 1 312 312 LEU N N 312 128.800 128.800 126.150 2.650 19038 2334 1 7 . 1 1 312 312 LEU H H 312 8.630 8.630 8.378 0.252 19038 2335 1 7 . 1 1 313 313 LYS N N 313 125.100 125.100 121.583 3.517 19038 2336 1 7 . 1 1 313 313 LYS H H 313 8.550 8.550 8.958 -0.408 19038 2337 1 7 . 1 1 314 314 LYS N N 314 122.300 122.300 126.445 -4.145 19038 2338 1 7 . 1 1 314 314 LYS H H 314 8.730 8.730 8.916 -0.186 19038 2339 1 7 . 1 1 315 315 GLY N N 315 117.700 117.700 115.306 2.394 19038 2340 1 7 . 1 1 315 315 GLY H H 315 8.590 8.590 9.017 -0.427 19038 2341 1 7 . 1 1 316 316 ASP N N 316 123.100 123.100 123.050 0.050 19038 2342 1 7 . 1 1 316 316 ASP H H 316 8.960 8.960 8.350 0.610 19038 2343 1 7 . 1 1 317 317 GLN N N 317 119.300 119.300 121.614 -2.314 19038 2344 1 7 . 1 1 317 317 GLN H H 317 9.500 9.500 9.017 0.483 19038 2345 1 7 . 1 1 319 319 LEU N N 319 131.600 131.600 130.550 1.050 19038 2346 1 7 . 1 1 319 319 LEU H H 319 9.090 9.090 9.202 -0.112 19038 2347 1 7 . 1 1 320 320 LEU N N 320 132.200 132.200 128.697 3.503 19038 2348 1 7 . 1 1 320 320 LEU H H 320 8.860 8.860 7.950 0.910 19038 2349 1 7 . 1 1 323 323 MET N N 323 113.300 113.300 118.628 -5.328 19038 2350 1 7 . 1 1 323 323 MET H H 323 7.600 7.600 7.330 0.270 19038 2351 1 7 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 2352 1 7 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 2353 1 7 . 1 1 330 330 ARG N N 330 119.300 119.300 117.081 2.219 19038 2354 1 7 . 1 1 330 330 ARG H H 330 8.630 8.630 8.141 0.489 19038 2355 1 7 . 1 1 332 332 ASN N N 332 117.000 117.000 117.467 -0.467 19038 2356 1 7 . 1 1 332 332 ASN H H 332 7.830 7.830 8.158 -0.328 19038 2357 1 7 . 1 1 333 333 ALA N N 333 124.700 124.700 125.331 -0.631 19038 2358 1 7 . 1 1 333 333 ALA H H 333 8.510 8.510 8.602 -0.092 19038 2359 1 7 . 1 1 334 334 CYS N N 334 123.200 123.200 118.640 4.560 19038 2360 1 7 . 1 1 334 334 CYS H H 334 9.200 9.200 9.215 -0.015 19038 2361 1 7 . 1 1 336 336 MET N N 336 116.200 116.200 114.134 2.066 19038 2362 1 7 . 1 1 336 336 MET H H 336 8.750 8.750 8.060 0.690 19038 2363 1 7 . 1 1 338 338 VAL N N 338 127.100 127.100 127.589 -0.489 19038 2364 1 7 . 1 1 338 338 VAL H H 338 8.060 8.060 8.160 -0.100 19038 2365 1 7 . 1 1 339 339 ASP N N 339 131.600 131.600 127.693 3.907 19038 2366 1 7 . 1 1 339 339 ASP H H 339 10.090 10.090 8.822 1.268 19038 2367 1 7 . 1 1 340 340 PHE N N 340 124.800 124.800 124.420 0.380 19038 2368 1 7 . 1 1 340 340 PHE H H 340 9.520 9.520 8.721 0.799 19038 2369 1 7 . 1 1 341 341 SER N N 341 116.500 116.500 112.008 4.492 19038 2370 1 7 . 1 1 341 341 SER H H 341 8.670 8.670 7.924 0.746 19038 2371 1 7 . 1 1 342 342 ARG N N 342 124.700 124.700 123.029 1.671 19038 2372 1 7 . 1 1 342 342 ARG H H 342 7.170 7.170 7.519 -0.349 19038 2373 1 7 . 1 1 347 347 HIS N N 347 121.900 121.900 121.264 0.636 19038 2374 1 7 . 1 1 347 347 HIS H H 347 8.190 8.190 8.808 -0.618 19038 2375 1 7 . 1 1 356 356 LEU N N 356 119.400 119.400 121.413 -2.013 19038 2376 1 7 . 1 1 356 356 LEU H H 356 6.890 6.890 7.480 -0.590 19038 2377 1 7 . 1 1 360 360 GLN N N 360 118.500 118.500 119.613 -1.113 19038 2378 1 7 . 1 1 360 360 GLN H H 360 8.690 8.690 7.426 1.264 19038 2379 1 7 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 2380 1 7 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 2381 1 7 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 2382 1 7 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 2383 1 7 . 1 1 382 382 SER N N 382 111.600 111.600 114.344 -2.744 19038 2384 1 7 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 2385 1 7 . 1 1 384 384 ALA N N 384 132.000 132.000 130.855 1.145 19038 2386 1 7 . 1 1 384 384 ALA H H 384 8.150 8.150 8.637 -0.487 19038 2387 1 7 . 1 1 387 387 ALA N N 387 124.100 124.100 123.898 0.202 19038 2388 1 7 . 1 1 387 387 ALA H H 387 7.580 7.580 7.668 -0.088 19038 2389 1 7 . 1 1 388 388 GLN N N 388 123.000 123.000 121.729 1.271 19038 2390 1 7 . 1 1 388 388 GLN H H 388 8.410 8.410 8.487 -0.077 19038 2391 1 7 . 1 1 389 389 ILE N N 389 127.100 127.100 124.740 2.360 19038 2392 1 7 . 1 1 389 389 ILE H H 389 8.580 8.580 8.526 0.054 19038 2393 1 7 . 1 1 390 390 GLN N N 390 130.000 130.000 126.538 3.462 19038 2394 1 7 . 1 1 390 390 GLN H H 390 9.520 9.520 8.787 0.733 19038 2395 1 7 . 1 1 391 391 HIS N N 391 125.800 125.800 121.400 4.400 19038 2396 1 7 . 1 1 391 391 HIS H H 391 9.010 9.010 8.655 0.355 19038 2397 1 7 . 1 1 392 392 LYS N N 392 119.200 119.200 119.581 -0.381 19038 2398 1 7 . 1 1 392 392 LYS H H 392 8.890 8.890 8.895 -0.005 19038 2399 1 7 . 1 1 394 394 GLY N N 394 110.200 110.200 108.861 1.339 19038 2400 1 7 . 1 1 394 394 GLY H H 394 6.690 6.690 7.970 -1.280 19038 2401 1 7 . 1 1 395 395 ILE N N 395 125.600 125.600 120.781 4.819 19038 2402 1 7 . 1 1 395 395 ILE H H 395 8.330 8.330 8.018 0.312 19038 2403 1 7 . 1 1 398 398 GLY N N 398 103.000 103.000 107.685 -4.685 19038 2404 1 7 . 1 1 398 398 GLY H H 398 8.500 8.500 8.449 0.051 19038 2405 1 7 . 1 1 400 400 GLN N N 400 126.200 126.200 126.269 -0.069 19038 2406 1 7 . 1 1 400 400 GLN H H 400 8.900 8.900 8.842 0.058 19038 2407 1 7 . 1 1 401 401 ALA N N 401 117.600 117.600 117.671 -0.071 19038 2408 1 7 . 1 1 401 401 ALA H H 401 7.290 7.290 7.813 -0.523 19038 2409 1 7 . 1 1 402 402 LEU N N 402 119.900 119.900 121.747 -1.847 19038 2410 1 7 . 1 1 402 402 LEU H H 402 8.620 8.620 8.613 0.007 19038 2411 1 7 . 1 1 405 405 VAL N N 405 114.400 114.400 113.899 0.501 19038 2412 1 7 . 1 1 405 405 VAL H H 405 9.210 9.210 9.016 0.194 19038 2413 1 7 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 2414 1 7 . 1 1 409 409 ALA H H 409 8.630 8.630 7.882 0.748 19038 2415 1 7 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 2416 1 7 . 1 1 410 410 THR H H 410 8.120 8.120 7.857 0.263 19038 2417 1 7 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 2418 1 7 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 2419 1 7 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 2420 1 7 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 2421 1 7 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 2422 1 7 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 2423 1 8 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 2424 1 8 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 2425 1 8 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 2426 1 8 . 1 1 14 14 LEU H H 14 8.400 8.400 8.233 0.167 19038 2427 1 8 . 1 1 17 17 HIS N N 17 111.900 111.900 115.148 -3.248 19038 2428 1 8 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 2429 1 8 . 1 1 18 18 VAL N N 18 127.700 127.700 123.312 4.388 19038 2430 1 8 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 2431 1 8 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 2432 1 8 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 2433 1 8 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 2434 1 8 . 1 1 21 21 HIS H H 21 7.830 7.830 8.284 -0.454 19038 2435 1 8 . 1 1 22 22 LEU N N 22 119.300 119.300 119.787 -0.487 19038 2436 1 8 . 1 1 22 22 LEU H H 22 7.140 7.140 7.317 -0.177 19038 2437 1 8 . 1 1 23 23 VAL N N 23 120.900 120.900 120.675 0.225 19038 2438 1 8 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 2439 1 8 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 2440 1 8 . 1 1 24 24 PHE H H 24 9.200 9.200 8.817 0.383 19038 2441 1 8 . 1 1 25 25 ASP N N 25 126.600 126.600 129.535 -2.935 19038 2442 1 8 . 1 1 25 25 ASP H H 25 8.100 8.100 8.387 -0.287 19038 2443 1 8 . 1 1 26 26 PHE N N 26 125.200 125.200 123.457 1.743 19038 2444 1 8 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 2445 1 8 . 1 1 27 27 ASP N N 27 133.400 133.400 128.831 4.569 19038 2446 1 8 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 2447 1 8 . 1 1 30 30 ASN N N 30 116.600 116.600 117.240 -0.640 19038 2448 1 8 . 1 1 30 30 ASN H H 30 6.670 6.670 7.371 -0.701 19038 2449 1 8 . 1 1 34 34 LEU N N 34 120.200 120.200 122.730 -2.530 19038 2450 1 8 . 1 1 34 34 LEU H H 34 7.180 7.180 7.518 -0.338 19038 2451 1 8 . 1 1 35 35 SER N N 35 114.900 114.900 114.914 -0.014 19038 2452 1 8 . 1 1 35 35 SER H H 35 8.540 8.540 8.540 -0.000 19038 2453 1 8 . 1 1 36 36 ALA N N 36 124.900 124.900 123.015 1.885 19038 2454 1 8 . 1 1 36 36 ALA H H 36 7.770 7.770 7.352 0.418 19038 2455 1 8 . 1 1 37 37 GLY N N 37 110.000 110.000 105.257 4.743 19038 2456 1 8 . 1 1 37 37 GLY H H 37 7.370 7.370 7.336 0.034 19038 2457 1 8 . 1 1 39 39 GLN N N 39 122.900 122.900 117.732 5.168 19038 2458 1 8 . 1 1 39 39 GLN H H 39 7.700 7.700 8.935 -1.235 19038 2459 1 8 . 1 1 40 40 GLU N N 40 121.500 121.500 119.584 1.916 19038 2460 1 8 . 1 1 40 40 GLU H H 40 9.850 9.850 8.292 1.558 19038 2461 1 8 . 1 1 44 44 VAL N N 44 120.000 120.000 116.709 3.291 19038 2462 1 8 . 1 1 44 44 VAL H H 44 7.090 7.090 7.491 -0.401 19038 2463 1 8 . 1 1 46 46 GLN N N 46 112.500 112.500 114.751 -2.251 19038 2464 1 8 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 2465 1 8 . 1 1 47 47 GLU N N 47 121.500 121.500 121.537 -0.037 19038 2466 1 8 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 2467 1 8 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 2468 1 8 . 1 1 48 48 SER H H 48 8.560 8.560 8.813 -0.253 19038 2469 1 8 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 2470 1 8 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 2471 1 8 . 1 1 50 50 VAL N N 50 126.200 126.200 123.637 2.563 19038 2472 1 8 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 2473 1 8 . 1 1 52 52 ASP N N 52 118.000 118.000 117.605 0.395 19038 2474 1 8 . 1 1 52 52 ASP H H 52 8.040 8.040 8.467 -0.427 19038 2475 1 8 . 1 1 54 54 VAL N N 54 114.000 114.000 120.506 -6.506 19038 2476 1 8 . 1 1 54 54 VAL H H 54 8.530 8.530 8.027 0.503 19038 2477 1 8 . 1 1 55 55 TRP N N 55 123.300 123.300 123.110 0.190 19038 2478 1 8 . 1 1 55 55 TRP H H 55 8.920 8.920 9.314 -0.394 19038 2479 1 8 . 1 1 56 56 THR N N 56 120.300 120.300 122.419 -2.119 19038 2480 1 8 . 1 1 56 56 THR H H 56 7.860 7.860 7.846 0.014 19038 2481 1 8 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 2482 1 8 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 2483 1 8 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 2484 1 8 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 2485 1 8 . 1 1 61 61 GLY N N 61 112.200 112.200 110.004 2.196 19038 2486 1 8 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 2487 1 8 . 1 1 62 62 HIS N N 62 121.900 121.900 115.745 6.155 19038 2488 1 8 . 1 1 62 62 HIS H H 62 7.100 7.100 6.852 0.248 19038 2489 1 8 . 1 1 64 64 ILE N N 64 126.000 126.000 119.880 6.120 19038 2490 1 8 . 1 1 64 64 ILE H H 64 10.360 10.360 8.943 1.417 19038 2491 1 8 . 1 1 65 65 ALA N N 65 128.900 128.900 131.121 -2.221 19038 2492 1 8 . 1 1 65 65 ALA H H 65 7.840 7.840 8.114 -0.274 19038 2493 1 8 . 1 1 66 66 THR N N 66 109.300 109.300 115.553 -6.253 19038 2494 1 8 . 1 1 66 66 THR H H 66 8.600 8.600 8.640 -0.040 19038 2495 1 8 . 1 1 67 67 ARG N N 67 115.000 115.000 120.515 -5.515 19038 2496 1 8 . 1 1 67 67 ARG H H 67 6.420 6.420 7.296 -0.876 19038 2497 1 8 . 1 1 68 68 GLY N N 68 112.600 112.600 109.925 2.675 19038 2498 1 8 . 1 1 68 68 GLY H H 68 10.340 10.340 9.272 1.068 19038 2499 1 8 . 1 1 69 69 GLN N N 69 120.100 120.100 121.147 -1.047 19038 2500 1 8 . 1 1 69 69 GLN H H 69 8.910 8.910 8.109 0.801 19038 2501 1 8 . 1 1 70 70 LEU N N 70 117.400 117.400 119.386 -1.986 19038 2502 1 8 . 1 1 70 70 LEU H H 70 6.410 6.410 7.833 -1.423 19038 2503 1 8 . 1 1 73 73 GLU N N 73 115.100 115.100 119.591 -4.491 19038 2504 1 8 . 1 1 73 73 GLU H H 73 7.780 7.780 7.853 -0.073 19038 2505 1 8 . 1 1 74 74 ALA N N 74 121.500 121.500 121.628 -0.128 19038 2506 1 8 . 1 1 74 74 ALA H H 74 8.150 8.150 7.784 0.366 19038 2507 1 8 . 1 1 78 78 TYR N N 78 121.800 121.800 122.429 -0.629 19038 2508 1 8 . 1 1 78 78 TYR H H 78 7.350 7.350 7.539 -0.189 19038 2509 1 8 . 1 1 83 83 SER N N 83 127.400 127.400 121.696 5.704 19038 2510 1 8 . 1 1 83 83 SER H H 83 9.970 9.970 9.386 0.584 19038 2511 1 8 . 1 1 85 85 CYS N N 85 111.600 111.600 116.957 -5.357 19038 2512 1 8 . 1 1 85 85 CYS H H 85 5.690 5.690 7.944 -2.254 19038 2513 1 8 . 1 1 90 90 ARG N N 90 124.800 124.800 127.216 -2.416 19038 2514 1 8 . 1 1 90 90 ARG H H 90 9.410 9.410 8.821 0.589 19038 2515 1 8 . 1 1 91 91 GLU N N 91 116.300 116.300 116.131 0.169 19038 2516 1 8 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 2517 1 8 . 1 1 92 92 ALA N N 92 123.600 123.600 122.330 1.270 19038 2518 1 8 . 1 1 92 92 ALA H H 92 7.120 7.120 8.612 -1.492 19038 2519 1 8 . 1 1 93 93 GLY N N 93 104.600 104.600 106.352 -1.752 19038 2520 1 8 . 1 1 93 93 GLY H H 93 7.350 7.350 7.723 -0.373 19038 2521 1 8 . 1 1 95 95 ALA N N 95 120.400 120.400 121.641 -1.241 19038 2522 1 8 . 1 1 95 95 ALA H H 95 6.820 6.820 7.486 -0.666 19038 2523 1 8 . 1 1 96 96 TYR N N 96 121.800 121.800 120.714 1.086 19038 2524 1 8 . 1 1 96 96 TYR H H 96 7.300 7.300 7.414 -0.114 19038 2525 1 8 . 1 1 107 107 GLU N N 107 128.200 128.200 118.892 9.308 19038 2526 1 8 . 1 1 107 107 GLU H H 107 8.760 8.760 8.396 0.364 19038 2527 1 8 . 1 1 109 109 ARG N N 109 119.400 119.400 119.239 0.161 19038 2528 1 8 . 1 1 109 109 ARG H H 109 7.590 7.590 8.230 -0.640 19038 2529 1 8 . 1 1 111 111 PHE N N 111 118.100 118.100 117.780 0.320 19038 2530 1 8 . 1 1 111 111 PHE H H 111 7.130 7.130 7.699 -0.569 19038 2531 1 8 . 1 1 126 126 LYS N N 126 119.200 119.200 120.511 -1.311 19038 2532 1 8 . 1 1 126 126 LYS H H 126 7.220 7.220 7.446 -0.226 19038 2533 1 8 . 1 1 130 130 ARG N N 130 121.500 121.500 119.547 1.953 19038 2534 1 8 . 1 1 130 130 ARG H H 130 7.790 7.790 8.260 -0.470 19038 2535 1 8 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 2536 1 8 . 1 1 137 137 SER H H 137 8.320 8.320 8.247 0.073 19038 2537 1 8 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 2538 1 8 . 1 1 140 140 GLU H H 140 8.590 8.590 8.078 0.512 19038 2539 1 8 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 2540 1 8 . 1 1 141 141 SER H H 141 7.480 7.480 7.876 -0.396 19038 2541 1 8 . 1 1 145 145 GLN N N 145 114.300 114.300 118.178 -3.878 19038 2542 1 8 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 2543 1 8 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 2544 1 8 . 1 1 146 146 GLY H H 146 6.490 6.490 7.891 -1.401 19038 2545 1 8 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 2546 1 8 . 1 1 147 147 GLN H H 147 5.880 5.880 6.832 -0.952 19038 2547 1 8 . 1 1 148 148 CYS N N 148 110.800 110.800 115.356 -4.556 19038 2548 1 8 . 1 1 148 148 CYS H H 148 8.230 8.230 8.540 -0.310 19038 2549 1 8 . 1 1 149 149 ASN N N 149 120.100 120.100 121.072 -0.972 19038 2550 1 8 . 1 1 149 149 ASN H H 149 9.130 9.130 9.072 0.058 19038 2551 1 8 . 1 1 150 150 PHE N N 150 124.300 124.300 125.442 -1.142 19038 2552 1 8 . 1 1 150 150 PHE H H 150 9.280 9.280 8.072 1.208 19038 2553 1 8 . 1 1 151 151 THR N N 151 109.000 109.000 110.571 -1.571 19038 2554 1 8 . 1 1 151 151 THR H H 151 7.180 7.180 8.225 -1.045 19038 2555 1 8 . 1 1 152 152 GLU N N 152 119.000 119.000 120.517 -1.517 19038 2556 1 8 . 1 1 152 152 GLU H H 152 6.250 6.250 7.789 -1.539 19038 2557 1 8 . 1 1 153 153 ASP N N 153 115.000 115.000 117.732 -2.732 19038 2558 1 8 . 1 1 153 153 ASP H H 153 8.580 8.580 8.368 0.212 19038 2559 1 8 . 1 1 154 154 TYR N N 154 116.500 116.500 118.351 -1.851 19038 2560 1 8 . 1 1 154 154 TYR H H 154 7.160 7.160 7.634 -0.474 19038 2561 1 8 . 1 1 156 156 GLU N N 156 106.900 106.900 117.005 -10.105 19038 2562 1 8 . 1 1 156 156 GLU H H 156 7.570 7.570 7.724 -0.154 19038 2563 1 8 . 1 1 163 163 PHE N N 163 121.800 121.800 121.925 -0.125 19038 2564 1 8 . 1 1 163 163 PHE H H 163 7.950 7.950 7.469 0.481 19038 2565 1 8 . 1 1 168 168 GLY N N 168 109.500 109.500 106.298 3.202 19038 2566 1 8 . 1 1 168 168 GLY H H 168 7.900 7.900 7.559 0.341 19038 2567 1 8 . 1 1 169 169 LEU N N 169 122.800 122.800 119.996 2.804 19038 2568 1 8 . 1 1 169 169 LEU H H 169 8.490 8.490 8.078 0.412 19038 2569 1 8 . 1 1 171 171 GLU N N 171 123.500 123.500 123.463 0.037 19038 2570 1 8 . 1 1 171 171 GLU H H 171 8.790 8.790 9.025 -0.235 19038 2571 1 8 . 1 1 172 172 GLU N N 172 120.500 120.500 118.332 2.168 19038 2572 1 8 . 1 1 172 172 GLU H H 172 9.410 9.410 8.556 0.854 19038 2573 1 8 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 2574 1 8 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 2575 1 8 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 2576 1 8 . 1 1 193 193 PHE H H 193 8.550 8.550 8.643 -0.093 19038 2577 1 8 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 2578 1 8 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 2579 1 8 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 2580 1 8 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 2581 1 8 . 1 1 200 200 LEU N N 200 124.400 124.400 120.125 4.275 19038 2582 1 8 . 1 1 200 200 LEU H H 200 7.850 7.850 7.635 0.215 19038 2583 1 8 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 2584 1 8 . 1 1 207 207 ILE H H 207 6.540 6.540 7.009 -0.469 19038 2585 1 8 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 2586 1 8 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 2587 1 8 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 2588 1 8 . 1 1 214 214 LYS H H 214 8.040 8.040 8.148 -0.108 19038 2589 1 8 . 1 1 216 216 GLY N N 216 111.500 111.500 111.374 0.126 19038 2590 1 8 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 2591 1 8 . 1 1 219 219 ALA N N 219 118.900 118.900 121.631 -2.731 19038 2592 1 8 . 1 1 219 219 ALA H H 219 8.540 8.540 8.406 0.134 19038 2593 1 8 . 1 1 223 223 VAL N N 223 119.500 119.500 118.686 0.814 19038 2594 1 8 . 1 1 223 223 VAL H H 223 7.900 7.900 8.131 -0.231 19038 2595 1 8 . 1 1 224 224 ALA N N 224 116.800 116.800 122.639 -5.839 19038 2596 1 8 . 1 1 224 224 ALA H H 224 9.020 9.020 8.377 0.643 19038 2597 1 8 . 1 1 226 226 GLY N N 226 110.200 110.200 107.946 2.254 19038 2598 1 8 . 1 1 226 226 GLY H H 226 7.700 7.700 7.419 0.281 19038 2599 1 8 . 1 1 227 227 GLN N N 227 118.700 118.700 118.323 0.377 19038 2600 1 8 . 1 1 227 227 GLN H H 227 8.170 8.170 8.372 -0.202 19038 2601 1 8 . 1 1 228 228 VAL N N 228 117.900 117.900 118.813 -0.913 19038 2602 1 8 . 1 1 228 228 VAL H H 228 8.900 8.900 8.990 -0.090 19038 2603 1 8 . 1 1 229 229 ASN N N 229 121.900 121.900 126.240 -4.340 19038 2604 1 8 . 1 1 229 229 ASN H H 229 8.900 8.900 9.229 -0.329 19038 2605 1 8 . 1 1 230 230 GLY N N 230 103.600 103.600 100.255 3.345 19038 2606 1 8 . 1 1 230 230 GLY H H 230 8.580 8.580 8.486 0.094 19038 2607 1 8 . 1 1 231 231 ARG N N 231 119.300 119.300 119.824 -0.524 19038 2608 1 8 . 1 1 231 231 ARG H H 231 7.950 7.950 7.588 0.362 19038 2609 1 8 . 1 1 233 233 ILE N N 233 127.400 127.400 127.369 0.031 19038 2610 1 8 . 1 1 233 233 ILE H H 233 8.250 8.250 8.359 -0.109 19038 2611 1 8 . 1 1 238 238 ALA N N 238 119.900 119.900 122.066 -2.166 19038 2612 1 8 . 1 1 238 238 ALA H H 238 8.610 8.610 8.201 0.409 19038 2613 1 8 . 1 1 239 239 LYS N N 239 122.500 122.500 118.690 3.810 19038 2614 1 8 . 1 1 239 239 LYS H H 239 8.180 8.180 7.954 0.226 19038 2615 1 8 . 1 1 241 241 MET N N 241 120.400 120.400 120.719 -0.319 19038 2616 1 8 . 1 1 241 241 MET H H 241 8.140 8.140 7.900 0.240 19038 2617 1 8 . 1 1 243 243 GLY N N 243 106.400 106.400 107.914 -1.514 19038 2618 1 8 . 1 1 243 243 GLY H H 243 8.740 8.740 8.204 0.536 19038 2619 1 8 . 1 1 254 254 VAL N N 254 118.500 118.500 119.148 -0.648 19038 2620 1 8 . 1 1 254 254 VAL H H 254 7.060 7.060 8.403 -1.343 19038 2621 1 8 . 1 1 260 260 SER N N 260 109.100 109.100 114.983 -5.883 19038 2622 1 8 . 1 1 260 260 SER H H 260 7.030 7.030 7.723 -0.693 19038 2623 1 8 . 1 1 261 261 MET N N 261 118.900 118.900 119.926 -1.026 19038 2624 1 8 . 1 1 261 261 MET H H 261 6.470 6.470 7.988 -1.518 19038 2625 1 8 . 1 1 266 266 LYS N N 266 116.400 116.400 116.353 0.047 19038 2626 1 8 . 1 1 266 266 LYS H H 266 7.260 7.260 7.286 -0.026 19038 2627 1 8 . 1 1 267 267 SER N N 267 114.800 114.800 114.610 0.190 19038 2628 1 8 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 2629 1 8 . 1 1 269 269 GLU N N 269 117.700 117.700 118.986 -1.286 19038 2630 1 8 . 1 1 269 269 GLU H H 269 8.990 8.990 8.587 0.403 19038 2631 1 8 . 1 1 271 271 ARG N N 271 117.900 117.900 119.297 -1.397 19038 2632 1 8 . 1 1 271 271 ARG H H 271 7.550 7.550 7.740 -0.190 19038 2633 1 8 . 1 1 273 273 GLU N N 273 119.200 119.200 120.704 -1.504 19038 2634 1 8 . 1 1 273 273 GLU H H 273 7.470 7.470 7.793 -0.323 19038 2635 1 8 . 1 1 274 274 LEU N N 274 115.700 115.700 118.592 -2.892 19038 2636 1 8 . 1 1 274 274 LEU H H 274 6.990 6.990 7.676 -0.686 19038 2637 1 8 . 1 1 275 275 ILE N N 275 122.000 122.000 118.920 3.080 19038 2638 1 8 . 1 1 275 275 ILE H H 275 7.570 7.570 7.923 -0.353 19038 2639 1 8 . 1 1 276 276 GLN N N 276 116.600 116.600 118.764 -2.164 19038 2640 1 8 . 1 1 276 276 GLN H H 276 7.500 7.500 8.034 -0.534 19038 2641 1 8 . 1 1 279 279 GLU N N 279 122.500 122.500 117.020 5.480 19038 2642 1 8 . 1 1 279 279 GLU H H 279 10.010 10.010 8.855 1.155 19038 2643 1 8 . 1 1 280 280 ARG N N 280 121.300 121.300 118.230 3.070 19038 2644 1 8 . 1 1 280 280 ARG H H 280 8.500 8.500 7.470 1.030 19038 2645 1 8 . 1 1 284 284 ALA N N 284 123.100 123.100 121.714 1.386 19038 2646 1 8 . 1 1 284 284 ALA H H 284 8.510 8.510 8.258 0.252 19038 2647 1 8 . 1 1 291 291 ARG N N 291 119.500 119.500 120.790 -1.290 19038 2648 1 8 . 1 1 291 291 ARG H H 291 8.210 8.210 7.813 0.397 19038 2649 1 8 . 1 1 292 292 PHE N N 292 115.500 115.500 117.232 -1.732 19038 2650 1 8 . 1 1 292 292 PHE H H 292 8.570 8.570 7.764 0.806 19038 2651 1 8 . 1 1 293 293 SER N N 293 110.600 110.600 115.910 -5.310 19038 2652 1 8 . 1 1 293 293 SER H H 293 5.950 5.950 7.386 -1.436 19038 2653 1 8 . 1 1 299 299 ARG N N 299 117.700 117.700 117.338 0.362 19038 2654 1 8 . 1 1 299 299 ARG H H 299 8.260 8.260 8.289 -0.029 19038 2655 1 8 . 1 1 300 300 ILE N N 300 122.000 122.000 120.209 1.791 19038 2656 1 8 . 1 1 300 300 ILE H H 300 9.560 9.560 8.443 1.117 19038 2657 1 8 . 1 1 301 301 LEU N N 301 131.900 131.900 128.510 3.390 19038 2658 1 8 . 1 1 301 301 LEU H H 301 8.800 8.800 8.939 -0.139 19038 2659 1 8 . 1 1 302 302 THR N N 302 116.800 116.800 116.147 0.653 19038 2660 1 8 . 1 1 302 302 THR H H 302 8.680 8.680 8.819 -0.139 19038 2661 1 8 . 1 1 303 303 SER N N 303 112.900 112.900 115.375 -2.475 19038 2662 1 8 . 1 1 303 303 SER H H 303 7.500 7.500 7.487 0.013 19038 2663 1 8 . 1 1 304 304 ASP N N 304 121.800 121.800 121.112 0.688 19038 2664 1 8 . 1 1 304 304 ASP H H 304 8.500 8.500 8.591 -0.091 19038 2665 1 8 . 1 1 305 305 TYR N N 305 126.500 126.500 123.411 3.089 19038 2666 1 8 . 1 1 305 305 TYR H H 305 8.390 8.390 8.489 -0.099 19038 2667 1 8 . 1 1 306 306 GLU N N 306 130.500 130.500 128.994 1.506 19038 2668 1 8 . 1 1 306 306 GLU H H 306 7.720 7.720 8.320 -0.600 19038 2669 1 8 . 1 1 307 307 PHE N N 307 130.200 130.200 128.934 1.266 19038 2670 1 8 . 1 1 307 307 PHE H H 307 8.480 8.480 8.628 -0.148 19038 2671 1 8 . 1 1 308 308 HIS N N 308 124.200 124.200 126.287 -2.087 19038 2672 1 8 . 1 1 308 308 HIS H H 308 8.980 8.980 8.833 0.147 19038 2673 1 8 . 1 1 309 309 GLY N N 309 102.900 102.900 103.451 -0.551 19038 2674 1 8 . 1 1 309 309 GLY H H 309 8.360 8.360 8.225 0.135 19038 2675 1 8 . 1 1 310 310 VAL N N 310 124.100 124.100 121.335 2.765 19038 2676 1 8 . 1 1 310 310 VAL H H 310 7.500 7.500 7.248 0.252 19038 2677 1 8 . 1 1 311 311 GLN N N 311 126.400 126.400 125.161 1.239 19038 2678 1 8 . 1 1 311 311 GLN H H 311 8.400 8.400 8.594 -0.194 19038 2679 1 8 . 1 1 312 312 LEU N N 312 128.800 128.800 126.150 2.650 19038 2680 1 8 . 1 1 312 312 LEU H H 312 8.630 8.630 8.379 0.251 19038 2681 1 8 . 1 1 313 313 LYS N N 313 125.100 125.100 121.584 3.516 19038 2682 1 8 . 1 1 313 313 LYS H H 313 8.550 8.550 8.958 -0.408 19038 2683 1 8 . 1 1 314 314 LYS N N 314 122.300 122.300 126.446 -4.146 19038 2684 1 8 . 1 1 314 314 LYS H H 314 8.730 8.730 8.917 -0.187 19038 2685 1 8 . 1 1 315 315 GLY N N 315 117.700 117.700 115.307 2.393 19038 2686 1 8 . 1 1 315 315 GLY H H 315 8.590 8.590 9.018 -0.428 19038 2687 1 8 . 1 1 316 316 ASP N N 316 123.100 123.100 123.051 0.049 19038 2688 1 8 . 1 1 316 316 ASP H H 316 8.960 8.960 8.351 0.609 19038 2689 1 8 . 1 1 317 317 GLN N N 317 119.300 119.300 121.615 -2.315 19038 2690 1 8 . 1 1 317 317 GLN H H 317 9.500 9.500 9.018 0.482 19038 2691 1 8 . 1 1 319 319 LEU N N 319 131.600 131.600 130.551 1.049 19038 2692 1 8 . 1 1 319 319 LEU H H 319 9.090 9.090 9.203 -0.113 19038 2693 1 8 . 1 1 320 320 LEU N N 320 132.200 132.200 128.700 3.500 19038 2694 1 8 . 1 1 320 320 LEU H H 320 8.860 8.860 7.953 0.907 19038 2695 1 8 . 1 1 323 323 MET N N 323 113.300 113.300 118.626 -5.326 19038 2696 1 8 . 1 1 323 323 MET H H 323 7.600 7.600 7.329 0.271 19038 2697 1 8 . 1 1 329 329 GLU N N 329 132.500 132.500 127.063 5.437 19038 2698 1 8 . 1 1 329 329 GLU H H 329 9.520 9.520 8.849 0.671 19038 2699 1 8 . 1 1 330 330 ARG N N 330 119.300 119.300 117.085 2.215 19038 2700 1 8 . 1 1 330 330 ARG H H 330 8.630 8.630 8.146 0.484 19038 2701 1 8 . 1 1 332 332 ASN N N 332 117.000 117.000 117.441 -0.441 19038 2702 1 8 . 1 1 332 332 ASN H H 332 7.830 7.830 8.160 -0.330 19038 2703 1 8 . 1 1 333 333 ALA N N 333 124.700 124.700 125.332 -0.632 19038 2704 1 8 . 1 1 333 333 ALA H H 333 8.510 8.510 8.607 -0.097 19038 2705 1 8 . 1 1 334 334 CYS N N 334 123.200 123.200 118.644 4.556 19038 2706 1 8 . 1 1 334 334 CYS H H 334 9.200 9.200 9.219 -0.019 19038 2707 1 8 . 1 1 336 336 MET N N 336 116.200 116.200 114.139 2.061 19038 2708 1 8 . 1 1 336 336 MET H H 336 8.750 8.750 8.065 0.685 19038 2709 1 8 . 1 1 338 338 VAL N N 338 127.100 127.100 127.598 -0.498 19038 2710 1 8 . 1 1 338 338 VAL H H 338 8.060 8.060 8.168 -0.108 19038 2711 1 8 . 1 1 339 339 ASP N N 339 131.600 131.600 127.711 3.889 19038 2712 1 8 . 1 1 339 339 ASP H H 339 10.090 10.090 8.844 1.246 19038 2713 1 8 . 1 1 340 340 PHE N N 340 124.800 124.800 124.437 0.363 19038 2714 1 8 . 1 1 340 340 PHE H H 340 9.520 9.520 8.735 0.785 19038 2715 1 8 . 1 1 341 341 SER N N 341 116.500 116.500 112.023 4.477 19038 2716 1 8 . 1 1 341 341 SER H H 341 8.670 8.670 7.939 0.731 19038 2717 1 8 . 1 1 342 342 ARG N N 342 124.700 124.700 123.043 1.657 19038 2718 1 8 . 1 1 342 342 ARG H H 342 7.170 7.170 7.543 -0.373 19038 2719 1 8 . 1 1 347 347 HIS N N 347 121.900 121.900 120.849 1.051 19038 2720 1 8 . 1 1 347 347 HIS H H 347 8.190 8.190 8.264 -0.074 19038 2721 1 8 . 1 1 356 356 LEU N N 356 119.400 119.400 123.416 -4.016 19038 2722 1 8 . 1 1 356 356 LEU H H 356 6.890 6.890 7.612 -0.722 19038 2723 1 8 . 1 1 360 360 GLN N N 360 118.500 118.500 119.692 -1.192 19038 2724 1 8 . 1 1 360 360 GLN H H 360 8.690 8.690 7.470 1.220 19038 2725 1 8 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 2726 1 8 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 2727 1 8 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 2728 1 8 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 2729 1 8 . 1 1 382 382 SER N N 382 111.600 111.600 114.343 -2.743 19038 2730 1 8 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 2731 1 8 . 1 1 384 384 ALA N N 384 132.000 132.000 130.854 1.146 19038 2732 1 8 . 1 1 384 384 ALA H H 384 8.150 8.150 8.636 -0.486 19038 2733 1 8 . 1 1 387 387 ALA N N 387 124.100 124.100 123.897 0.203 19038 2734 1 8 . 1 1 387 387 ALA H H 387 7.580 7.580 7.667 -0.087 19038 2735 1 8 . 1 1 388 388 GLN N N 388 123.000 123.000 121.728 1.272 19038 2736 1 8 . 1 1 388 388 GLN H H 388 8.410 8.410 8.486 -0.076 19038 2737 1 8 . 1 1 389 389 ILE N N 389 127.100 127.100 124.739 2.361 19038 2738 1 8 . 1 1 389 389 ILE H H 389 8.580 8.580 8.524 0.056 19038 2739 1 8 . 1 1 390 390 GLN N N 390 130.000 130.000 126.536 3.464 19038 2740 1 8 . 1 1 390 390 GLN H H 390 9.520 9.520 8.785 0.735 19038 2741 1 8 . 1 1 391 391 HIS N N 391 125.800 125.800 121.397 4.403 19038 2742 1 8 . 1 1 391 391 HIS H H 391 9.010 9.010 8.652 0.358 19038 2743 1 8 . 1 1 392 392 LYS N N 392 119.200 119.200 119.577 -0.377 19038 2744 1 8 . 1 1 392 392 LYS H H 392 8.890 8.890 8.890 -0.000 19038 2745 1 8 . 1 1 394 394 GLY N N 394 110.200 110.200 108.858 1.342 19038 2746 1 8 . 1 1 394 394 GLY H H 394 6.690 6.690 7.966 -1.276 19038 2747 1 8 . 1 1 395 395 ILE N N 395 125.600 125.600 120.779 4.821 19038 2748 1 8 . 1 1 395 395 ILE H H 395 8.330 8.330 8.016 0.314 19038 2749 1 8 . 1 1 398 398 GLY N N 398 103.000 103.000 107.678 -4.678 19038 2750 1 8 . 1 1 398 398 GLY H H 398 8.500 8.500 8.443 0.057 19038 2751 1 8 . 1 1 400 400 GLN N N 400 126.200 126.200 126.266 -0.066 19038 2752 1 8 . 1 1 400 400 GLN H H 400 8.900 8.900 8.838 0.062 19038 2753 1 8 . 1 1 401 401 ALA N N 401 117.600 117.600 117.668 -0.068 19038 2754 1 8 . 1 1 401 401 ALA H H 401 7.290 7.290 7.810 -0.520 19038 2755 1 8 . 1 1 402 402 LEU N N 402 119.900 119.900 121.745 -1.845 19038 2756 1 8 . 1 1 402 402 LEU H H 402 8.620 8.620 8.610 0.010 19038 2757 1 8 . 1 1 405 405 VAL N N 405 114.400 114.400 113.898 0.502 19038 2758 1 8 . 1 1 405 405 VAL H H 405 9.210 9.210 9.015 0.195 19038 2759 1 8 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 2760 1 8 . 1 1 409 409 ALA H H 409 8.630 8.630 7.881 0.749 19038 2761 1 8 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 2762 1 8 . 1 1 410 410 THR H H 410 8.120 8.120 7.856 0.264 19038 2763 1 8 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 2764 1 8 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 2765 1 8 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 2766 1 8 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 2767 1 8 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 2768 1 8 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 2769 1 9 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 2770 1 9 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 2771 1 9 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 2772 1 9 . 1 1 14 14 LEU H H 14 8.400 8.400 8.234 0.166 19038 2773 1 9 . 1 1 17 17 HIS N N 17 111.900 111.900 115.148 -3.248 19038 2774 1 9 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 2775 1 9 . 1 1 18 18 VAL N N 18 127.700 127.700 123.313 4.387 19038 2776 1 9 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 2777 1 9 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 2778 1 9 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 2779 1 9 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 2780 1 9 . 1 1 21 21 HIS H H 21 7.830 7.830 8.285 -0.455 19038 2781 1 9 . 1 1 22 22 LEU N N 22 119.300 119.300 119.788 -0.488 19038 2782 1 9 . 1 1 22 22 LEU H H 22 7.140 7.140 7.318 -0.178 19038 2783 1 9 . 1 1 23 23 VAL N N 23 120.900 120.900 120.676 0.224 19038 2784 1 9 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 2785 1 9 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 2786 1 9 . 1 1 24 24 PHE H H 24 9.200 9.200 8.818 0.383 19038 2787 1 9 . 1 1 25 25 ASP N N 25 126.600 126.600 129.536 -2.936 19038 2788 1 9 . 1 1 25 25 ASP H H 25 8.100 8.100 8.388 -0.288 19038 2789 1 9 . 1 1 26 26 PHE N N 26 125.200 125.200 123.458 1.742 19038 2790 1 9 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 2791 1 9 . 1 1 27 27 ASP N N 27 133.400 133.400 128.832 4.568 19038 2792 1 9 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 2793 1 9 . 1 1 30 30 ASN N N 30 116.600 116.600 117.240 -0.640 19038 2794 1 9 . 1 1 30 30 ASN H H 30 6.670 6.670 7.371 -0.701 19038 2795 1 9 . 1 1 34 34 LEU N N 34 120.200 120.200 122.730 -2.530 19038 2796 1 9 . 1 1 34 34 LEU H H 34 7.180 7.180 7.519 -0.339 19038 2797 1 9 . 1 1 35 35 SER N N 35 114.900 114.900 114.914 -0.014 19038 2798 1 9 . 1 1 35 35 SER H H 35 8.540 8.540 8.540 -0.000 19038 2799 1 9 . 1 1 36 36 ALA N N 36 124.900 124.900 123.015 1.885 19038 2800 1 9 . 1 1 36 36 ALA H H 36 7.770 7.770 7.352 0.418 19038 2801 1 9 . 1 1 37 37 GLY N N 37 110.000 110.000 105.257 4.743 19038 2802 1 9 . 1 1 37 37 GLY H H 37 7.370 7.370 7.336 0.034 19038 2803 1 9 . 1 1 39 39 GLN N N 39 122.900 122.900 117.732 5.168 19038 2804 1 9 . 1 1 39 39 GLN H H 39 7.700 7.700 8.935 -1.235 19038 2805 1 9 . 1 1 40 40 GLU N N 40 121.500 121.500 119.584 1.916 19038 2806 1 9 . 1 1 40 40 GLU H H 40 9.850 9.850 8.292 1.558 19038 2807 1 9 . 1 1 44 44 VAL N N 44 120.000 120.000 116.710 3.290 19038 2808 1 9 . 1 1 44 44 VAL H H 44 7.090 7.090 7.491 -0.401 19038 2809 1 9 . 1 1 46 46 GLN N N 46 112.500 112.500 114.751 -2.251 19038 2810 1 9 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 2811 1 9 . 1 1 47 47 GLU N N 47 121.500 121.500 121.537 -0.037 19038 2812 1 9 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 2813 1 9 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 2814 1 9 . 1 1 48 48 SER H H 48 8.560 8.560 8.813 -0.253 19038 2815 1 9 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 2816 1 9 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 2817 1 9 . 1 1 50 50 VAL N N 50 126.200 126.200 123.638 2.562 19038 2818 1 9 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 2819 1 9 . 1 1 52 52 ASP N N 52 118.000 118.000 117.606 0.394 19038 2820 1 9 . 1 1 52 52 ASP H H 52 8.040 8.040 8.468 -0.428 19038 2821 1 9 . 1 1 54 54 VAL N N 54 114.000 114.000 120.507 -6.507 19038 2822 1 9 . 1 1 54 54 VAL H H 54 8.530 8.530 8.029 0.501 19038 2823 1 9 . 1 1 55 55 TRP N N 55 123.300 123.300 123.110 0.190 19038 2824 1 9 . 1 1 55 55 TRP H H 55 8.920 8.920 9.315 -0.395 19038 2825 1 9 . 1 1 56 56 THR N N 56 120.300 120.300 122.419 -2.119 19038 2826 1 9 . 1 1 56 56 THR H H 56 7.860 7.860 7.847 0.013 19038 2827 1 9 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 2828 1 9 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 2829 1 9 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 2830 1 9 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 2831 1 9 . 1 1 61 61 GLY N N 61 112.200 112.200 110.005 2.195 19038 2832 1 9 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 2833 1 9 . 1 1 62 62 HIS N N 62 121.900 121.900 115.746 6.154 19038 2834 1 9 . 1 1 62 62 HIS H H 62 7.100 7.100 6.852 0.248 19038 2835 1 9 . 1 1 64 64 ILE N N 64 126.000 126.000 119.882 6.118 19038 2836 1 9 . 1 1 64 64 ILE H H 64 10.360 10.360 8.944 1.416 19038 2837 1 9 . 1 1 65 65 ALA N N 65 128.900 128.900 131.124 -2.224 19038 2838 1 9 . 1 1 65 65 ALA H H 65 7.840 7.840 8.116 -0.276 19038 2839 1 9 . 1 1 66 66 THR N N 66 109.300 109.300 115.555 -6.255 19038 2840 1 9 . 1 1 66 66 THR H H 66 8.600 8.600 8.642 -0.042 19038 2841 1 9 . 1 1 67 67 ARG N N 67 115.000 115.000 120.516 -5.516 19038 2842 1 9 . 1 1 67 67 ARG H H 67 6.420 6.420 7.298 -0.878 19038 2843 1 9 . 1 1 68 68 GLY N N 68 112.600 112.600 109.932 2.668 19038 2844 1 9 . 1 1 68 68 GLY H H 68 10.340 10.340 9.268 1.072 19038 2845 1 9 . 1 1 69 69 GLN N N 69 120.100 120.100 121.125 -1.025 19038 2846 1 9 . 1 1 69 69 GLN H H 69 8.910 8.910 8.112 0.798 19038 2847 1 9 . 1 1 70 70 LEU N N 70 117.400 117.400 119.223 -1.823 19038 2848 1 9 . 1 1 70 70 LEU H H 70 6.410 6.410 7.837 -1.427 19038 2849 1 9 . 1 1 73 73 GLU N N 73 115.100 115.100 119.653 -4.553 19038 2850 1 9 . 1 1 73 73 GLU H H 73 7.780 7.780 7.848 -0.068 19038 2851 1 9 . 1 1 74 74 ALA N N 74 121.500 121.500 121.398 0.102 19038 2852 1 9 . 1 1 74 74 ALA H H 74 8.150 8.150 7.750 0.400 19038 2853 1 9 . 1 1 78 78 TYR N N 78 121.800 121.800 123.057 -1.257 19038 2854 1 9 . 1 1 78 78 TYR H H 78 7.350 7.350 7.635 -0.285 19038 2855 1 9 . 1 1 83 83 SER N N 83 127.400 127.400 121.696 5.704 19038 2856 1 9 . 1 1 83 83 SER H H 83 9.970 9.970 9.389 0.581 19038 2857 1 9 . 1 1 85 85 CYS N N 85 111.600 111.600 116.956 -5.356 19038 2858 1 9 . 1 1 85 85 CYS H H 85 5.690 5.690 7.944 -2.254 19038 2859 1 9 . 1 1 90 90 ARG N N 90 124.800 124.800 127.216 -2.416 19038 2860 1 9 . 1 1 90 90 ARG H H 90 9.410 9.410 8.822 0.588 19038 2861 1 9 . 1 1 91 91 GLU N N 91 116.300 116.300 116.131 0.169 19038 2862 1 9 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 2863 1 9 . 1 1 92 92 ALA N N 92 123.600 123.600 122.330 1.270 19038 2864 1 9 . 1 1 92 92 ALA H H 92 7.120 7.120 8.612 -1.492 19038 2865 1 9 . 1 1 93 93 GLY N N 93 104.600 104.600 106.352 -1.752 19038 2866 1 9 . 1 1 93 93 GLY H H 93 7.350 7.350 7.723 -0.373 19038 2867 1 9 . 1 1 95 95 ALA N N 95 120.400 120.400 121.641 -1.241 19038 2868 1 9 . 1 1 95 95 ALA H H 95 6.820 6.820 7.485 -0.665 19038 2869 1 9 . 1 1 96 96 TYR N N 96 121.800 121.800 120.714 1.086 19038 2870 1 9 . 1 1 96 96 TYR H H 96 7.300 7.300 7.414 -0.114 19038 2871 1 9 . 1 1 107 107 GLU N N 107 128.200 128.200 118.935 9.265 19038 2872 1 9 . 1 1 107 107 GLU H H 107 8.760 8.760 8.400 0.360 19038 2873 1 9 . 1 1 109 109 ARG N N 109 119.400 119.400 119.237 0.163 19038 2874 1 9 . 1 1 109 109 ARG H H 109 7.590 7.590 8.156 -0.566 19038 2875 1 9 . 1 1 111 111 PHE N N 111 118.100 118.100 117.838 0.262 19038 2876 1 9 . 1 1 111 111 PHE H H 111 7.130 7.130 7.708 -0.578 19038 2877 1 9 . 1 1 126 126 LYS N N 126 119.200 119.200 120.311 -1.111 19038 2878 1 9 . 1 1 126 126 LYS H H 126 7.220 7.220 7.459 -0.239 19038 2879 1 9 . 1 1 130 130 ARG N N 130 121.500 121.500 119.671 1.829 19038 2880 1 9 . 1 1 130 130 ARG H H 130 7.790 7.790 8.245 -0.455 19038 2881 1 9 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 2882 1 9 . 1 1 137 137 SER H H 137 8.320 8.320 8.247 0.073 19038 2883 1 9 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 2884 1 9 . 1 1 140 140 GLU H H 140 8.590 8.590 8.078 0.512 19038 2885 1 9 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 2886 1 9 . 1 1 141 141 SER H H 141 7.480 7.480 7.876 -0.396 19038 2887 1 9 . 1 1 145 145 GLN N N 145 114.300 114.300 118.178 -3.878 19038 2888 1 9 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 2889 1 9 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 2890 1 9 . 1 1 146 146 GLY H H 146 6.490 6.490 7.891 -1.401 19038 2891 1 9 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 2892 1 9 . 1 1 147 147 GLN H H 147 5.880 5.880 6.832 -0.952 19038 2893 1 9 . 1 1 148 148 CYS N N 148 110.800 110.800 115.356 -4.556 19038 2894 1 9 . 1 1 148 148 CYS H H 148 8.230 8.230 8.539 -0.309 19038 2895 1 9 . 1 1 149 149 ASN N N 149 120.100 120.100 121.072 -0.972 19038 2896 1 9 . 1 1 149 149 ASN H H 149 9.130 9.130 9.072 0.058 19038 2897 1 9 . 1 1 150 150 PHE N N 150 124.300 124.300 125.442 -1.142 19038 2898 1 9 . 1 1 150 150 PHE H H 150 9.280 9.280 8.072 1.208 19038 2899 1 9 . 1 1 151 151 THR N N 151 109.000 109.000 110.571 -1.571 19038 2900 1 9 . 1 1 151 151 THR H H 151 7.180 7.180 8.224 -1.044 19038 2901 1 9 . 1 1 152 152 GLU N N 152 119.000 119.000 120.517 -1.517 19038 2902 1 9 . 1 1 152 152 GLU H H 152 6.250 6.250 7.789 -1.539 19038 2903 1 9 . 1 1 153 153 ASP N N 153 115.000 115.000 117.732 -2.732 19038 2904 1 9 . 1 1 153 153 ASP H H 153 8.580 8.580 8.368 0.212 19038 2905 1 9 . 1 1 154 154 TYR N N 154 116.500 116.500 118.351 -1.851 19038 2906 1 9 . 1 1 154 154 TYR H H 154 7.160 7.160 7.634 -0.474 19038 2907 1 9 . 1 1 156 156 GLU N N 156 106.900 106.900 117.005 -10.105 19038 2908 1 9 . 1 1 156 156 GLU H H 156 7.570 7.570 7.724 -0.154 19038 2909 1 9 . 1 1 163 163 PHE N N 163 121.800 121.800 121.925 -0.125 19038 2910 1 9 . 1 1 163 163 PHE H H 163 7.950 7.950 7.469 0.481 19038 2911 1 9 . 1 1 168 168 GLY N N 168 109.500 109.500 106.297 3.203 19038 2912 1 9 . 1 1 168 168 GLY H H 168 7.900 7.900 7.559 0.341 19038 2913 1 9 . 1 1 169 169 LEU N N 169 122.800 122.800 119.996 2.804 19038 2914 1 9 . 1 1 169 169 LEU H H 169 8.490 8.490 8.078 0.412 19038 2915 1 9 . 1 1 171 171 GLU N N 171 123.500 123.500 123.463 0.037 19038 2916 1 9 . 1 1 171 171 GLU H H 171 8.790 8.790 9.025 -0.235 19038 2917 1 9 . 1 1 172 172 GLU N N 172 120.500 120.500 118.332 2.168 19038 2918 1 9 . 1 1 172 172 GLU H H 172 9.410 9.410 8.556 0.854 19038 2919 1 9 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 2920 1 9 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 2921 1 9 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 2922 1 9 . 1 1 193 193 PHE H H 193 8.550 8.550 8.643 -0.093 19038 2923 1 9 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 2924 1 9 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 2925 1 9 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 2926 1 9 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 2927 1 9 . 1 1 200 200 LEU N N 200 124.400 124.400 120.125 4.275 19038 2928 1 9 . 1 1 200 200 LEU H H 200 7.850 7.850 7.635 0.215 19038 2929 1 9 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 2930 1 9 . 1 1 207 207 ILE H H 207 6.540 6.540 7.008 -0.468 19038 2931 1 9 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 2932 1 9 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 2933 1 9 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 2934 1 9 . 1 1 214 214 LYS H H 214 8.040 8.040 8.148 -0.108 19038 2935 1 9 . 1 1 216 216 GLY N N 216 111.500 111.500 111.372 0.128 19038 2936 1 9 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 2937 1 9 . 1 1 219 219 ALA N N 219 118.900 118.900 121.641 -2.741 19038 2938 1 9 . 1 1 219 219 ALA H H 219 8.540 8.540 8.407 0.133 19038 2939 1 9 . 1 1 223 223 VAL N N 223 119.500 119.500 118.871 0.629 19038 2940 1 9 . 1 1 223 223 VAL H H 223 7.900 7.900 8.133 -0.233 19038 2941 1 9 . 1 1 224 224 ALA N N 224 116.800 116.800 122.675 -5.875 19038 2942 1 9 . 1 1 224 224 ALA H H 224 9.020 9.020 8.369 0.651 19038 2943 1 9 . 1 1 226 226 GLY N N 226 110.200 110.200 107.915 2.285 19038 2944 1 9 . 1 1 226 226 GLY H H 226 7.700 7.700 7.421 0.279 19038 2945 1 9 . 1 1 227 227 GLN N N 227 118.700 118.700 118.197 0.503 19038 2946 1 9 . 1 1 227 227 GLN H H 227 8.170 8.170 8.438 -0.268 19038 2947 1 9 . 1 1 228 228 VAL N N 228 117.900 117.900 118.597 -0.697 19038 2948 1 9 . 1 1 228 228 VAL H H 228 8.900 8.900 8.958 -0.058 19038 2949 1 9 . 1 1 229 229 ASN N N 229 121.900 121.900 126.283 -4.383 19038 2950 1 9 . 1 1 229 229 ASN H H 229 8.900 8.900 9.259 -0.359 19038 2951 1 9 . 1 1 230 230 GLY N N 230 103.600 103.600 103.236 0.364 19038 2952 1 9 . 1 1 230 230 GLY H H 230 8.580 8.580 8.417 0.163 19038 2953 1 9 . 1 1 231 231 ARG N N 231 119.300 119.300 120.022 -0.722 19038 2954 1 9 . 1 1 231 231 ARG H H 231 7.950 7.950 7.590 0.360 19038 2955 1 9 . 1 1 233 233 ILE N N 233 127.400 127.400 127.385 0.015 19038 2956 1 9 . 1 1 233 233 ILE H H 233 8.250 8.250 8.361 -0.111 19038 2957 1 9 . 1 1 238 238 ALA N N 238 119.900 119.900 122.091 -2.191 19038 2958 1 9 . 1 1 238 238 ALA H H 238 8.610 8.610 8.157 0.453 19038 2959 1 9 . 1 1 239 239 LYS N N 239 122.500 122.500 118.689 3.811 19038 2960 1 9 . 1 1 239 239 LYS H H 239 8.180 8.180 7.953 0.227 19038 2961 1 9 . 1 1 241 241 MET N N 241 120.400 120.400 120.693 -0.293 19038 2962 1 9 . 1 1 241 241 MET H H 241 8.140 8.140 7.904 0.236 19038 2963 1 9 . 1 1 243 243 GLY N N 243 106.400 106.400 107.913 -1.513 19038 2964 1 9 . 1 1 243 243 GLY H H 243 8.740 8.740 8.203 0.537 19038 2965 1 9 . 1 1 254 254 VAL N N 254 118.500 118.500 119.149 -0.649 19038 2966 1 9 . 1 1 254 254 VAL H H 254 7.060 7.060 8.403 -1.343 19038 2967 1 9 . 1 1 260 260 SER N N 260 109.100 109.100 114.983 -5.883 19038 2968 1 9 . 1 1 260 260 SER H H 260 7.030 7.030 7.722 -0.692 19038 2969 1 9 . 1 1 261 261 MET N N 261 118.900 118.900 119.926 -1.026 19038 2970 1 9 . 1 1 261 261 MET H H 261 6.470 6.470 7.988 -1.518 19038 2971 1 9 . 1 1 266 266 LYS N N 266 116.400 116.400 116.353 0.047 19038 2972 1 9 . 1 1 266 266 LYS H H 266 7.260 7.260 7.286 -0.026 19038 2973 1 9 . 1 1 267 267 SER N N 267 114.800 114.800 114.609 0.191 19038 2974 1 9 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 2975 1 9 . 1 1 269 269 GLU N N 269 117.700 117.700 118.985 -1.285 19038 2976 1 9 . 1 1 269 269 GLU H H 269 8.990 8.990 8.587 0.403 19038 2977 1 9 . 1 1 271 271 ARG N N 271 117.900 117.900 119.296 -1.396 19038 2978 1 9 . 1 1 271 271 ARG H H 271 7.550 7.550 7.740 -0.190 19038 2979 1 9 . 1 1 273 273 GLU N N 273 119.200 119.200 120.704 -1.504 19038 2980 1 9 . 1 1 273 273 GLU H H 273 7.470 7.470 7.793 -0.323 19038 2981 1 9 . 1 1 274 274 LEU N N 274 115.700 115.700 118.591 -2.891 19038 2982 1 9 . 1 1 274 274 LEU H H 274 6.990 6.990 7.676 -0.686 19038 2983 1 9 . 1 1 275 275 ILE N N 275 122.000 122.000 118.920 3.080 19038 2984 1 9 . 1 1 275 275 ILE H H 275 7.570 7.570 7.923 -0.353 19038 2985 1 9 . 1 1 276 276 GLN N N 276 116.600 116.600 118.764 -2.164 19038 2986 1 9 . 1 1 276 276 GLN H H 276 7.500 7.500 8.034 -0.534 19038 2987 1 9 . 1 1 279 279 GLU N N 279 122.500 122.500 117.602 4.898 19038 2988 1 9 . 1 1 279 279 GLU H H 279 10.010 10.010 8.853 1.157 19038 2989 1 9 . 1 1 280 280 ARG N N 280 121.300 121.300 118.236 3.064 19038 2990 1 9 . 1 1 280 280 ARG H H 280 8.500 8.500 7.470 1.030 19038 2991 1 9 . 1 1 284 284 ALA N N 284 123.100 123.100 121.712 1.388 19038 2992 1 9 . 1 1 284 284 ALA H H 284 8.510 8.510 8.256 0.254 19038 2993 1 9 . 1 1 291 291 ARG N N 291 119.500 119.500 120.788 -1.288 19038 2994 1 9 . 1 1 291 291 ARG H H 291 8.210 8.210 7.810 0.400 19038 2995 1 9 . 1 1 292 292 PHE N N 292 115.500 115.500 117.231 -1.731 19038 2996 1 9 . 1 1 292 292 PHE H H 292 8.570 8.570 7.763 0.807 19038 2997 1 9 . 1 1 293 293 SER N N 293 110.600 110.600 115.910 -5.310 19038 2998 1 9 . 1 1 293 293 SER H H 293 5.950 5.950 7.386 -1.436 19038 2999 1 9 . 1 1 299 299 ARG N N 299 117.700 117.700 117.341 0.359 19038 3000 1 9 . 1 1 299 299 ARG H H 299 8.260 8.260 8.292 -0.032 19038 3001 1 9 . 1 1 300 300 ILE N N 300 122.000 122.000 120.211 1.789 19038 3002 1 9 . 1 1 300 300 ILE H H 300 9.560 9.560 8.445 1.115 19038 3003 1 9 . 1 1 301 301 LEU N N 301 131.900 131.900 128.511 3.389 19038 3004 1 9 . 1 1 301 301 LEU H H 301 8.800 8.800 8.941 -0.141 19038 3005 1 9 . 1 1 302 302 THR N N 302 116.800 116.800 116.148 0.652 19038 3006 1 9 . 1 1 302 302 THR H H 302 8.680 8.680 8.820 -0.140 19038 3007 1 9 . 1 1 303 303 SER N N 303 112.900 112.900 115.375 -2.475 19038 3008 1 9 . 1 1 303 303 SER H H 303 7.500 7.500 7.487 0.013 19038 3009 1 9 . 1 1 304 304 ASP N N 304 121.800 121.800 121.112 0.688 19038 3010 1 9 . 1 1 304 304 ASP H H 304 8.500 8.500 8.591 -0.091 19038 3011 1 9 . 1 1 305 305 TYR N N 305 126.500 126.500 123.411 3.089 19038 3012 1 9 . 1 1 305 305 TYR H H 305 8.390 8.390 8.490 -0.100 19038 3013 1 9 . 1 1 306 306 GLU N N 306 130.500 130.500 128.995 1.505 19038 3014 1 9 . 1 1 306 306 GLU H H 306 7.720 7.720 8.321 -0.601 19038 3015 1 9 . 1 1 307 307 PHE N N 307 130.200 130.200 128.930 1.270 19038 3016 1 9 . 1 1 307 307 PHE H H 307 8.480 8.480 8.631 -0.151 19038 3017 1 9 . 1 1 308 308 HIS N N 308 124.200 124.200 126.287 -2.087 19038 3018 1 9 . 1 1 308 308 HIS H H 308 8.980 8.980 8.835 0.145 19038 3019 1 9 . 1 1 309 309 GLY N N 309 102.900 102.900 103.448 -0.548 19038 3020 1 9 . 1 1 309 309 GLY H H 309 8.360 8.360 8.226 0.134 19038 3021 1 9 . 1 1 310 310 VAL N N 310 124.100 124.100 121.336 2.764 19038 3022 1 9 . 1 1 310 310 VAL H H 310 7.500 7.500 7.249 0.251 19038 3023 1 9 . 1 1 311 311 GLN N N 311 126.400 126.400 125.161 1.239 19038 3024 1 9 . 1 1 311 311 GLN H H 311 8.400 8.400 8.595 -0.195 19038 3025 1 9 . 1 1 312 312 LEU N N 312 128.800 128.800 126.151 2.649 19038 3026 1 9 . 1 1 312 312 LEU H H 312 8.630 8.630 8.380 0.250 19038 3027 1 9 . 1 1 313 313 LYS N N 313 125.100 125.100 121.585 3.515 19038 3028 1 9 . 1 1 313 313 LYS H H 313 8.550 8.550 8.959 -0.409 19038 3029 1 9 . 1 1 314 314 LYS N N 314 122.300 122.300 126.446 -4.146 19038 3030 1 9 . 1 1 314 314 LYS H H 314 8.730 8.730 8.918 -0.188 19038 3031 1 9 . 1 1 315 315 GLY N N 315 117.700 117.700 115.307 2.393 19038 3032 1 9 . 1 1 315 315 GLY H H 315 8.590 8.590 9.019 -0.429 19038 3033 1 9 . 1 1 316 316 ASP N N 316 123.100 123.100 123.052 0.048 19038 3034 1 9 . 1 1 316 316 ASP H H 316 8.960 8.960 8.352 0.608 19038 3035 1 9 . 1 1 317 317 GLN N N 317 119.300 119.300 121.616 -2.316 19038 3036 1 9 . 1 1 317 317 GLN H H 317 9.500 9.500 9.019 0.481 19038 3037 1 9 . 1 1 319 319 LEU N N 319 131.600 131.600 130.553 1.047 19038 3038 1 9 . 1 1 319 319 LEU H H 319 9.090 9.090 9.205 -0.115 19038 3039 1 9 . 1 1 320 320 LEU N N 320 132.200 132.200 128.703 3.497 19038 3040 1 9 . 1 1 320 320 LEU H H 320 8.860 8.860 7.956 0.904 19038 3041 1 9 . 1 1 323 323 MET N N 323 113.300 113.300 119.681 -6.381 19038 3042 1 9 . 1 1 323 323 MET H H 323 7.600 7.600 7.463 0.137 19038 3043 1 9 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 3044 1 9 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 3045 1 9 . 1 1 330 330 ARG N N 330 119.300 119.300 117.084 2.216 19038 3046 1 9 . 1 1 330 330 ARG H H 330 8.630 8.630 8.145 0.485 19038 3047 1 9 . 1 1 332 332 ASN N N 332 117.000 117.000 117.439 -0.439 19038 3048 1 9 . 1 1 332 332 ASN H H 332 7.830 7.830 8.158 -0.328 19038 3049 1 9 . 1 1 333 333 ALA N N 333 124.700 124.700 125.331 -0.631 19038 3050 1 9 . 1 1 333 333 ALA H H 333 8.510 8.510 8.606 -0.096 19038 3051 1 9 . 1 1 334 334 CYS N N 334 123.200 123.200 118.643 4.557 19038 3052 1 9 . 1 1 334 334 CYS H H 334 9.200 9.200 9.219 -0.019 19038 3053 1 9 . 1 1 336 336 MET N N 336 116.200 116.200 114.138 2.062 19038 3054 1 9 . 1 1 336 336 MET H H 336 8.750 8.750 8.064 0.686 19038 3055 1 9 . 1 1 338 338 VAL N N 338 127.100 127.100 127.598 -0.498 19038 3056 1 9 . 1 1 338 338 VAL H H 338 8.060 8.060 8.167 -0.107 19038 3057 1 9 . 1 1 339 339 ASP N N 339 131.600 131.600 127.709 3.891 19038 3058 1 9 . 1 1 339 339 ASP H H 339 10.090 10.090 8.842 1.248 19038 3059 1 9 . 1 1 340 340 PHE N N 340 124.800 124.800 124.436 0.364 19038 3060 1 9 . 1 1 340 340 PHE H H 340 9.520 9.520 8.734 0.786 19038 3061 1 9 . 1 1 341 341 SER N N 341 116.500 116.500 112.022 4.478 19038 3062 1 9 . 1 1 341 341 SER H H 341 8.670 8.670 7.938 0.732 19038 3063 1 9 . 1 1 342 342 ARG N N 342 124.700 124.700 123.042 1.658 19038 3064 1 9 . 1 1 342 342 ARG H H 342 7.170 7.170 7.541 -0.371 19038 3065 1 9 . 1 1 347 347 HIS N N 347 121.900 121.900 120.953 0.947 19038 3066 1 9 . 1 1 347 347 HIS H H 347 8.190 8.190 8.255 -0.065 19038 3067 1 9 . 1 1 356 356 LEU N N 356 119.400 119.400 120.911 -1.511 19038 3068 1 9 . 1 1 356 356 LEU H H 356 6.890 6.890 7.547 -0.657 19038 3069 1 9 . 1 1 360 360 GLN N N 360 118.500 118.500 119.746 -1.246 19038 3070 1 9 . 1 1 360 360 GLN H H 360 8.690 8.690 7.460 1.230 19038 3071 1 9 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 3072 1 9 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 3073 1 9 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 3074 1 9 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 3075 1 9 . 1 1 382 382 SER N N 382 111.600 111.600 114.343 -2.743 19038 3076 1 9 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 3077 1 9 . 1 1 384 384 ALA N N 384 132.000 132.000 130.854 1.146 19038 3078 1 9 . 1 1 384 384 ALA H H 384 8.150 8.150 8.635 -0.485 19038 3079 1 9 . 1 1 387 387 ALA N N 387 124.100 124.100 123.897 0.203 19038 3080 1 9 . 1 1 387 387 ALA H H 387 7.580 7.580 7.667 -0.087 19038 3081 1 9 . 1 1 388 388 GLN N N 388 123.000 123.000 121.728 1.272 19038 3082 1 9 . 1 1 388 388 GLN H H 388 8.410 8.410 8.486 -0.076 19038 3083 1 9 . 1 1 389 389 ILE N N 389 127.100 127.100 124.739 2.361 19038 3084 1 9 . 1 1 389 389 ILE H H 389 8.580 8.580 8.524 0.056 19038 3085 1 9 . 1 1 390 390 GLN N N 390 130.000 130.000 126.536 3.464 19038 3086 1 9 . 1 1 390 390 GLN H H 390 9.520 9.520 8.785 0.735 19038 3087 1 9 . 1 1 391 391 HIS N N 391 125.800 125.800 121.397 4.403 19038 3088 1 9 . 1 1 391 391 HIS H H 391 9.010 9.010 8.652 0.358 19038 3089 1 9 . 1 1 392 392 LYS N N 392 119.200 119.200 119.577 -0.377 19038 3090 1 9 . 1 1 392 392 LYS H H 392 8.890 8.890 8.891 -0.001 19038 3091 1 9 . 1 1 394 394 GLY N N 394 110.200 110.200 108.859 1.341 19038 3092 1 9 . 1 1 394 394 GLY H H 394 6.690 6.690 7.967 -1.277 19038 3093 1 9 . 1 1 395 395 ILE N N 395 125.600 125.600 120.780 4.820 19038 3094 1 9 . 1 1 395 395 ILE H H 395 8.330 8.330 8.017 0.313 19038 3095 1 9 . 1 1 398 398 GLY N N 398 103.000 103.000 107.678 -4.678 19038 3096 1 9 . 1 1 398 398 GLY H H 398 8.500 8.500 8.444 0.056 19038 3097 1 9 . 1 1 400 400 GLN N N 400 126.200 126.200 126.266 -0.066 19038 3098 1 9 . 1 1 400 400 GLN H H 400 8.900 8.900 8.838 0.062 19038 3099 1 9 . 1 1 401 401 ALA N N 401 117.600 117.600 117.668 -0.068 19038 3100 1 9 . 1 1 401 401 ALA H H 401 7.290 7.290 7.810 -0.520 19038 3101 1 9 . 1 1 402 402 LEU N N 402 119.900 119.900 121.745 -1.845 19038 3102 1 9 . 1 1 402 402 LEU H H 402 8.620 8.620 8.610 0.010 19038 3103 1 9 . 1 1 405 405 VAL N N 405 114.400 114.400 113.898 0.502 19038 3104 1 9 . 1 1 405 405 VAL H H 405 9.210 9.210 9.015 0.195 19038 3105 1 9 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 3106 1 9 . 1 1 409 409 ALA H H 409 8.630 8.630 7.881 0.749 19038 3107 1 9 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 3108 1 9 . 1 1 410 410 THR H H 410 8.120 8.120 7.856 0.264 19038 3109 1 9 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 3110 1 9 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 3111 1 9 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 3112 1 9 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 3113 1 9 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 3114 1 9 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 3115 1 10 . 1 1 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 3116 1 10 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 3117 1 10 . 1 1 14 14 LEU N N 14 127.100 127.100 125.869 1.231 19038 3118 1 10 . 1 1 14 14 LEU H H 14 8.400 8.400 8.234 0.166 19038 3119 1 10 . 1 1 17 17 HIS N N 17 111.900 111.900 115.148 -3.248 19038 3120 1 10 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 3121 1 10 . 1 1 18 18 VAL N N 18 127.700 127.700 123.313 4.387 19038 3122 1 10 . 1 1 18 18 VAL H H 18 6.790 6.790 6.831 -0.041 19038 3123 1 10 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 3124 1 10 . 1 1 20 20 GLU H H 20 8.620 8.620 8.944 -0.324 19038 3125 1 10 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 3126 1 10 . 1 1 21 21 HIS H H 21 7.830 7.830 8.285 -0.455 19038 3127 1 10 . 1 1 22 22 LEU N N 22 119.300 119.300 119.788 -0.488 19038 3128 1 10 . 1 1 22 22 LEU H H 22 7.140 7.140 7.318 -0.178 19038 3129 1 10 . 1 1 23 23 VAL N N 23 120.900 120.900 120.676 0.224 19038 3130 1 10 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 3131 1 10 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 3132 1 10 . 1 1 24 24 PHE H H 24 9.200 9.200 8.818 0.382 19038 3133 1 10 . 1 1 25 25 ASP N N 25 126.600 126.600 129.536 -2.936 19038 3134 1 10 . 1 1 25 25 ASP H H 25 8.100 8.100 8.388 -0.288 19038 3135 1 10 . 1 1 26 26 PHE N N 26 125.200 125.200 123.458 1.742 19038 3136 1 10 . 1 1 26 26 PHE H H 26 8.260 8.260 8.359 -0.099 19038 3137 1 10 . 1 1 27 27 ASP N N 27 133.400 133.400 128.832 4.568 19038 3138 1 10 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 3139 1 10 . 1 1 30 30 ASN N N 30 116.600 116.600 117.240 -0.640 19038 3140 1 10 . 1 1 30 30 ASN H H 30 6.670 6.670 7.371 -0.701 19038 3141 1 10 . 1 1 34 34 LEU N N 34 120.200 120.200 122.730 -2.530 19038 3142 1 10 . 1 1 34 34 LEU H H 34 7.180 7.180 7.519 -0.339 19038 3143 1 10 . 1 1 35 35 SER N N 35 114.900 114.900 114.914 -0.014 19038 3144 1 10 . 1 1 35 35 SER H H 35 8.540 8.540 8.540 -0.000 19038 3145 1 10 . 1 1 36 36 ALA N N 36 124.900 124.900 123.016 1.884 19038 3146 1 10 . 1 1 36 36 ALA H H 36 7.770 7.770 7.352 0.418 19038 3147 1 10 . 1 1 37 37 GLY N N 37 110.000 110.000 105.257 4.743 19038 3148 1 10 . 1 1 37 37 GLY H H 37 7.370 7.370 7.336 0.034 19038 3149 1 10 . 1 1 39 39 GLN N N 39 122.900 122.900 117.732 5.168 19038 3150 1 10 . 1 1 39 39 GLN H H 39 7.700 7.700 8.935 -1.235 19038 3151 1 10 . 1 1 40 40 GLU N N 40 121.500 121.500 119.584 1.916 19038 3152 1 10 . 1 1 40 40 GLU H H 40 9.850 9.850 8.292 1.558 19038 3153 1 10 . 1 1 44 44 VAL N N 44 120.000 120.000 116.710 3.290 19038 3154 1 10 . 1 1 44 44 VAL H H 44 7.090 7.090 7.491 -0.401 19038 3155 1 10 . 1 1 46 46 GLN N N 46 112.500 112.500 114.751 -2.251 19038 3156 1 10 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 3157 1 10 . 1 1 47 47 GLU N N 47 121.500 121.500 121.537 -0.037 19038 3158 1 10 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 3159 1 10 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 3160 1 10 . 1 1 48 48 SER H H 48 8.560 8.560 8.813 -0.253 19038 3161 1 10 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 3162 1 10 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 3163 1 10 . 1 1 50 50 VAL N N 50 126.200 126.200 123.638 2.562 19038 3164 1 10 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 3165 1 10 . 1 1 52 52 ASP N N 52 118.000 118.000 117.606 0.394 19038 3166 1 10 . 1 1 52 52 ASP H H 52 8.040 8.040 8.468 -0.428 19038 3167 1 10 . 1 1 54 54 VAL N N 54 114.000 114.000 120.508 -6.508 19038 3168 1 10 . 1 1 54 54 VAL H H 54 8.530 8.530 8.029 0.501 19038 3169 1 10 . 1 1 55 55 TRP N N 55 123.300 123.300 123.111 0.189 19038 3170 1 10 . 1 1 55 55 TRP H H 55 8.920 8.920 9.315 -0.395 19038 3171 1 10 . 1 1 56 56 THR N N 56 120.300 120.300 122.420 -2.120 19038 3172 1 10 . 1 1 56 56 THR H H 56 7.860 7.860 7.847 0.013 19038 3173 1 10 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 3174 1 10 . 1 1 59 59 ASN H H 59 9.250 9.250 9.092 0.158 19038 3175 1 10 . 1 1 60 60 GLY N N 60 104.300 104.300 103.885 0.415 19038 3176 1 10 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 3177 1 10 . 1 1 61 61 GLY N N 61 112.200 112.200 110.005 2.195 19038 3178 1 10 . 1 1 61 61 GLY H H 61 7.430 7.430 7.724 -0.294 19038 3179 1 10 . 1 1 62 62 HIS N N 62 121.900 121.900 115.746 6.154 19038 3180 1 10 . 1 1 62 62 HIS H H 62 7.100 7.100 6.853 0.247 19038 3181 1 10 . 1 1 64 64 ILE N N 64 126.000 126.000 119.883 6.117 19038 3182 1 10 . 1 1 64 64 ILE H H 64 10.360 10.360 8.945 1.415 19038 3183 1 10 . 1 1 65 65 ALA N N 65 128.900 128.900 131.125 -2.225 19038 3184 1 10 . 1 1 65 65 ALA H H 65 7.840 7.840 8.117 -0.277 19038 3185 1 10 . 1 1 66 66 THR N N 66 109.300 109.300 115.555 -6.255 19038 3186 1 10 . 1 1 66 66 THR H H 66 8.600 8.600 8.643 -0.043 19038 3187 1 10 . 1 1 67 67 ARG N N 67 115.000 115.000 120.517 -5.517 19038 3188 1 10 . 1 1 67 67 ARG H H 67 6.420 6.420 7.299 -0.879 19038 3189 1 10 . 1 1 68 68 GLY N N 68 112.600 112.600 109.933 2.667 19038 3190 1 10 . 1 1 68 68 GLY H H 68 10.340 10.340 9.268 1.072 19038 3191 1 10 . 1 1 69 69 GLN N N 69 120.100 120.100 121.126 -1.026 19038 3192 1 10 . 1 1 69 69 GLN H H 69 8.910 8.910 8.113 0.797 19038 3193 1 10 . 1 1 70 70 LEU N N 70 117.400 117.400 119.225 -1.825 19038 3194 1 10 . 1 1 70 70 LEU H H 70 6.410 6.410 7.839 -1.429 19038 3195 1 10 . 1 1 73 73 GLU N N 73 115.100 115.100 119.678 -4.578 19038 3196 1 10 . 1 1 73 73 GLU H H 73 7.780 7.780 7.859 -0.079 19038 3197 1 10 . 1 1 74 74 ALA N N 74 121.500 121.500 121.403 0.097 19038 3198 1 10 . 1 1 74 74 ALA H H 74 8.150 8.150 7.757 0.393 19038 3199 1 10 . 1 1 78 78 TYR N N 78 121.800 121.800 123.061 -1.261 19038 3200 1 10 . 1 1 78 78 TYR H H 78 7.350 7.350 7.638 -0.288 19038 3201 1 10 . 1 1 83 83 SER N N 83 127.400 127.400 121.698 5.702 19038 3202 1 10 . 1 1 83 83 SER H H 83 9.970 9.970 9.389 0.581 19038 3203 1 10 . 1 1 85 85 CYS N N 85 111.600 111.600 116.956 -5.356 19038 3204 1 10 . 1 1 85 85 CYS H H 85 5.690 5.690 7.944 -2.254 19038 3205 1 10 . 1 1 90 90 ARG N N 90 124.800 124.800 127.216 -2.416 19038 3206 1 10 . 1 1 90 90 ARG H H 90 9.410 9.410 8.822 0.588 19038 3207 1 10 . 1 1 91 91 GLU N N 91 116.300 116.300 116.131 0.169 19038 3208 1 10 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 3209 1 10 . 1 1 92 92 ALA N N 92 123.600 123.600 122.330 1.270 19038 3210 1 10 . 1 1 92 92 ALA H H 92 7.120 7.120 8.612 -1.492 19038 3211 1 10 . 1 1 93 93 GLY N N 93 104.600 104.600 106.352 -1.752 19038 3212 1 10 . 1 1 93 93 GLY H H 93 7.350 7.350 7.723 -0.373 19038 3213 1 10 . 1 1 95 95 ALA N N 95 120.400 120.400 121.641 -1.241 19038 3214 1 10 . 1 1 95 95 ALA H H 95 6.820 6.820 7.485 -0.665 19038 3215 1 10 . 1 1 96 96 TYR N N 96 121.800 121.800 120.714 1.086 19038 3216 1 10 . 1 1 96 96 TYR H H 96 7.300 7.300 7.414 -0.114 19038 3217 1 10 . 1 1 107 107 GLU N N 107 128.200 128.200 118.935 9.265 19038 3218 1 10 . 1 1 107 107 GLU H H 107 8.760 8.760 8.399 0.361 19038 3219 1 10 . 1 1 109 109 ARG N N 109 119.400 119.400 119.145 0.255 19038 3220 1 10 . 1 1 109 109 ARG H H 109 7.590 7.590 8.152 -0.562 19038 3221 1 10 . 1 1 111 111 PHE N N 111 118.100 118.100 117.837 0.263 19038 3222 1 10 . 1 1 111 111 PHE H H 111 7.130 7.130 7.706 -0.576 19038 3223 1 10 . 1 1 126 126 LYS N N 126 119.200 119.200 120.312 -1.112 19038 3224 1 10 . 1 1 126 126 LYS H H 126 7.220 7.220 7.460 -0.240 19038 3225 1 10 . 1 1 130 130 ARG N N 130 121.500 121.500 119.671 1.829 19038 3226 1 10 . 1 1 130 130 ARG H H 130 7.790 7.790 8.245 -0.455 19038 3227 1 10 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 3228 1 10 . 1 1 137 137 SER H H 137 8.320 8.320 8.247 0.073 19038 3229 1 10 . 1 1 140 140 GLU N N 140 120.300 120.300 120.379 -0.079 19038 3230 1 10 . 1 1 140 140 GLU H H 140 8.590 8.590 8.078 0.512 19038 3231 1 10 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 3232 1 10 . 1 1 141 141 SER H H 141 7.480 7.480 7.876 -0.396 19038 3233 1 10 . 1 1 145 145 GLN N N 145 114.300 114.300 118.178 -3.878 19038 3234 1 10 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 3235 1 10 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 3236 1 10 . 1 1 146 146 GLY H H 146 6.490 6.490 7.891 -1.401 19038 3237 1 10 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 3238 1 10 . 1 1 147 147 GLN H H 147 5.880 5.880 6.832 -0.952 19038 3239 1 10 . 1 1 148 148 CYS N N 148 110.800 110.800 115.356 -4.556 19038 3240 1 10 . 1 1 148 148 CYS H H 148 8.230 8.230 8.539 -0.309 19038 3241 1 10 . 1 1 149 149 ASN N N 149 120.100 120.100 121.072 -0.972 19038 3242 1 10 . 1 1 149 149 ASN H H 149 9.130 9.130 9.072 0.058 19038 3243 1 10 . 1 1 150 150 PHE N N 150 124.300 124.300 125.442 -1.142 19038 3244 1 10 . 1 1 150 150 PHE H H 150 9.280 9.280 8.072 1.208 19038 3245 1 10 . 1 1 151 151 THR N N 151 109.000 109.000 110.571 -1.571 19038 3246 1 10 . 1 1 151 151 THR H H 151 7.180 7.180 8.225 -1.044 19038 3247 1 10 . 1 1 152 152 GLU N N 152 119.000 119.000 120.517 -1.517 19038 3248 1 10 . 1 1 152 152 GLU H H 152 6.250 6.250 7.789 -1.539 19038 3249 1 10 . 1 1 153 153 ASP N N 153 115.000 115.000 117.732 -2.732 19038 3250 1 10 . 1 1 153 153 ASP H H 153 8.580 8.580 8.368 0.212 19038 3251 1 10 . 1 1 154 154 TYR N N 154 116.500 116.500 118.351 -1.851 19038 3252 1 10 . 1 1 154 154 TYR H H 154 7.160 7.160 7.634 -0.474 19038 3253 1 10 . 1 1 156 156 GLU N N 156 106.900 106.900 117.005 -10.105 19038 3254 1 10 . 1 1 156 156 GLU H H 156 7.570 7.570 7.724 -0.154 19038 3255 1 10 . 1 1 163 163 PHE N N 163 121.800 121.800 121.925 -0.125 19038 3256 1 10 . 1 1 163 163 PHE H H 163 7.950 7.950 7.469 0.481 19038 3257 1 10 . 1 1 168 168 GLY N N 168 109.500 109.500 106.297 3.203 19038 3258 1 10 . 1 1 168 168 GLY H H 168 7.900 7.900 7.559 0.341 19038 3259 1 10 . 1 1 169 169 LEU N N 169 122.800 122.800 119.996 2.804 19038 3260 1 10 . 1 1 169 169 LEU H H 169 8.490 8.490 8.078 0.412 19038 3261 1 10 . 1 1 171 171 GLU N N 171 123.500 123.500 123.463 0.037 19038 3262 1 10 . 1 1 171 171 GLU H H 171 8.790 8.790 9.025 -0.235 19038 3263 1 10 . 1 1 172 172 GLU N N 172 120.500 120.500 118.332 2.168 19038 3264 1 10 . 1 1 172 172 GLU H H 172 9.410 9.410 8.556 0.854 19038 3265 1 10 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 3266 1 10 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 3267 1 10 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 3268 1 10 . 1 1 193 193 PHE H H 193 8.550 8.550 8.643 -0.093 19038 3269 1 10 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 3270 1 10 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 3271 1 10 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 3272 1 10 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 3273 1 10 . 1 1 200 200 LEU N N 200 124.400 124.400 120.125 4.275 19038 3274 1 10 . 1 1 200 200 LEU H H 200 7.850 7.850 7.635 0.215 19038 3275 1 10 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 3276 1 10 . 1 1 207 207 ILE H H 207 6.540 6.540 7.008 -0.468 19038 3277 1 10 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 3278 1 10 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 3279 1 10 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 3280 1 10 . 1 1 214 214 LYS H H 214 8.040 8.040 8.148 -0.108 19038 3281 1 10 . 1 1 216 216 GLY N N 216 111.500 111.500 111.371 0.129 19038 3282 1 10 . 1 1 216 216 GLY H H 216 8.530 8.530 7.822 0.708 19038 3283 1 10 . 1 1 219 219 ALA N N 219 118.900 118.900 121.640 -2.740 19038 3284 1 10 . 1 1 219 219 ALA H H 219 8.540 8.540 8.407 0.133 19038 3285 1 10 . 1 1 223 223 VAL N N 223 119.500 119.500 118.871 0.629 19038 3286 1 10 . 1 1 223 223 VAL H H 223 7.900 7.900 8.133 -0.233 19038 3287 1 10 . 1 1 224 224 ALA N N 224 116.800 116.800 122.675 -5.875 19038 3288 1 10 . 1 1 224 224 ALA H H 224 9.020 9.020 8.369 0.651 19038 3289 1 10 . 1 1 226 226 GLY N N 226 110.200 110.200 107.907 2.293 19038 3290 1 10 . 1 1 226 226 GLY H H 226 7.700 7.700 7.422 0.278 19038 3291 1 10 . 1 1 227 227 GLN N N 227 118.700 118.700 118.182 0.518 19038 3292 1 10 . 1 1 227 227 GLN H H 227 8.170 8.170 8.444 -0.274 19038 3293 1 10 . 1 1 228 228 VAL N N 228 117.900 117.900 118.596 -0.696 19038 3294 1 10 . 1 1 228 228 VAL H H 228 8.900 8.900 8.958 -0.058 19038 3295 1 10 . 1 1 229 229 ASN N N 229 121.900 121.900 126.282 -4.382 19038 3296 1 10 . 1 1 229 229 ASN H H 229 8.900 8.900 9.258 -0.358 19038 3297 1 10 . 1 1 230 230 GLY N N 230 103.600 103.600 103.236 0.364 19038 3298 1 10 . 1 1 230 230 GLY H H 230 8.580 8.580 8.416 0.164 19038 3299 1 10 . 1 1 231 231 ARG N N 231 119.300 119.300 120.021 -0.721 19038 3300 1 10 . 1 1 231 231 ARG H H 231 7.950 7.950 7.590 0.360 19038 3301 1 10 . 1 1 233 233 ILE N N 233 127.400 127.400 127.384 0.016 19038 3302 1 10 . 1 1 233 233 ILE H H 233 8.250 8.250 8.361 -0.111 19038 3303 1 10 . 1 1 238 238 ALA N N 238 119.900 119.900 122.091 -2.191 19038 3304 1 10 . 1 1 238 238 ALA H H 238 8.610 8.610 8.157 0.453 19038 3305 1 10 . 1 1 239 239 LYS N N 239 122.500 122.500 118.689 3.811 19038 3306 1 10 . 1 1 239 239 LYS H H 239 8.180 8.180 7.953 0.227 19038 3307 1 10 . 1 1 241 241 MET N N 241 120.400 120.400 120.692 -0.292 19038 3308 1 10 . 1 1 241 241 MET H H 241 8.140 8.140 7.904 0.236 19038 3309 1 10 . 1 1 243 243 GLY N N 243 106.400 106.400 107.913 -1.513 19038 3310 1 10 . 1 1 243 243 GLY H H 243 8.740 8.740 8.203 0.537 19038 3311 1 10 . 1 1 254 254 VAL N N 254 118.500 118.500 119.149 -0.649 19038 3312 1 10 . 1 1 254 254 VAL H H 254 7.060 7.060 8.404 -1.344 19038 3313 1 10 . 1 1 260 260 SER N N 260 109.100 109.100 114.983 -5.883 19038 3314 1 10 . 1 1 260 260 SER H H 260 7.030 7.030 7.722 -0.692 19038 3315 1 10 . 1 1 261 261 MET N N 261 118.900 118.900 119.926 -1.026 19038 3316 1 10 . 1 1 261 261 MET H H 261 6.470 6.470 7.988 -1.518 19038 3317 1 10 . 1 1 266 266 LYS N N 266 116.400 116.400 116.353 0.047 19038 3318 1 10 . 1 1 266 266 LYS H H 266 7.260 7.260 7.286 -0.026 19038 3319 1 10 . 1 1 267 267 SER N N 267 114.800 114.800 114.609 0.191 19038 3320 1 10 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 3321 1 10 . 1 1 269 269 GLU N N 269 117.700 117.700 118.985 -1.285 19038 3322 1 10 . 1 1 269 269 GLU H H 269 8.990 8.990 8.587 0.403 19038 3323 1 10 . 1 1 271 271 ARG N N 271 117.900 117.900 119.296 -1.396 19038 3324 1 10 . 1 1 271 271 ARG H H 271 7.550 7.550 7.740 -0.190 19038 3325 1 10 . 1 1 273 273 GLU N N 273 119.200 119.200 120.704 -1.504 19038 3326 1 10 . 1 1 273 273 GLU H H 273 7.470 7.470 7.793 -0.323 19038 3327 1 10 . 1 1 274 274 LEU N N 274 115.700 115.700 118.591 -2.891 19038 3328 1 10 . 1 1 274 274 LEU H H 274 6.990 6.990 7.675 -0.685 19038 3329 1 10 . 1 1 275 275 ILE N N 275 122.000 122.000 118.919 3.081 19038 3330 1 10 . 1 1 275 275 ILE H H 275 7.570 7.570 7.923 -0.353 19038 3331 1 10 . 1 1 276 276 GLN N N 276 116.600 116.600 118.764 -2.164 19038 3332 1 10 . 1 1 276 276 GLN H H 276 7.500 7.500 8.034 -0.534 19038 3333 1 10 . 1 1 279 279 GLU N N 279 122.500 122.500 117.650 4.850 19038 3334 1 10 . 1 1 279 279 GLU H H 279 10.010 10.010 8.855 1.155 19038 3335 1 10 . 1 1 280 280 ARG N N 280 121.300 121.300 118.239 3.061 19038 3336 1 10 . 1 1 280 280 ARG H H 280 8.500 8.500 7.467 1.033 19038 3337 1 10 . 1 1 284 284 ALA N N 284 123.100 123.100 121.711 1.389 19038 3338 1 10 . 1 1 284 284 ALA H H 284 8.510 8.510 8.256 0.254 19038 3339 1 10 . 1 1 291 291 ARG N N 291 119.500 119.500 120.788 -1.288 19038 3340 1 10 . 1 1 291 291 ARG H H 291 8.210 8.210 7.810 0.400 19038 3341 1 10 . 1 1 292 292 PHE N N 292 115.500 115.500 117.231 -1.731 19038 3342 1 10 . 1 1 292 292 PHE H H 292 8.570 8.570 7.762 0.808 19038 3343 1 10 . 1 1 293 293 SER N N 293 110.600 110.600 115.910 -5.310 19038 3344 1 10 . 1 1 293 293 SER H H 293 5.950 5.950 7.386 -1.435 19038 3345 1 10 . 1 1 299 299 ARG N N 299 117.700 117.700 117.342 0.358 19038 3346 1 10 . 1 1 299 299 ARG H H 299 8.260 8.260 8.293 -0.033 19038 3347 1 10 . 1 1 300 300 ILE N N 300 122.000 122.000 120.211 1.789 19038 3348 1 10 . 1 1 300 300 ILE H H 300 9.560 9.560 8.445 1.115 19038 3349 1 10 . 1 1 301 301 LEU N N 301 131.900 131.900 128.511 3.389 19038 3350 1 10 . 1 1 301 301 LEU H H 301 8.800 8.800 8.941 -0.141 19038 3351 1 10 . 1 1 302 302 THR N N 302 116.800 116.800 116.148 0.652 19038 3352 1 10 . 1 1 302 302 THR H H 302 8.680 8.680 8.820 -0.140 19038 3353 1 10 . 1 1 303 303 SER N N 303 112.900 112.900 115.375 -2.475 19038 3354 1 10 . 1 1 303 303 SER H H 303 7.500 7.500 7.487 0.013 19038 3355 1 10 . 1 1 304 304 ASP N N 304 121.800 121.800 121.112 0.688 19038 3356 1 10 . 1 1 304 304 ASP H H 304 8.500 8.500 8.591 -0.091 19038 3357 1 10 . 1 1 305 305 TYR N N 305 126.500 126.500 123.411 3.089 19038 3358 1 10 . 1 1 305 305 TYR H H 305 8.390 8.390 8.490 -0.100 19038 3359 1 10 . 1 1 306 306 GLU N N 306 130.500 130.500 128.995 1.505 19038 3360 1 10 . 1 1 306 306 GLU H H 306 7.720 7.720 8.321 -0.601 19038 3361 1 10 . 1 1 307 307 PHE N N 307 130.200 130.200 128.931 1.269 19038 3362 1 10 . 1 1 307 307 PHE H H 307 8.480 8.480 8.631 -0.151 19038 3363 1 10 . 1 1 308 308 HIS N N 308 124.200 124.200 126.288 -2.088 19038 3364 1 10 . 1 1 308 308 HIS H H 308 8.980 8.980 8.835 0.145 19038 3365 1 10 . 1 1 309 309 GLY N N 309 102.900 102.900 103.448 -0.548 19038 3366 1 10 . 1 1 309 309 GLY H H 309 8.360 8.360 8.226 0.134 19038 3367 1 10 . 1 1 310 310 VAL N N 310 124.100 124.100 121.336 2.764 19038 3368 1 10 . 1 1 310 310 VAL H H 310 7.500 7.500 7.249 0.251 19038 3369 1 10 . 1 1 311 311 GLN N N 311 126.400 126.400 125.162 1.238 19038 3370 1 10 . 1 1 311 311 GLN H H 311 8.400 8.400 8.595 -0.195 19038 3371 1 10 . 1 1 312 312 LEU N N 312 128.800 128.800 126.152 2.648 19038 3372 1 10 . 1 1 312 312 LEU H H 312 8.630 8.630 8.380 0.250 19038 3373 1 10 . 1 1 313 313 LYS N N 313 125.100 125.100 121.585 3.515 19038 3374 1 10 . 1 1 313 313 LYS H H 313 8.550 8.550 8.959 -0.409 19038 3375 1 10 . 1 1 314 314 LYS N N 314 122.300 122.300 126.446 -4.146 19038 3376 1 10 . 1 1 314 314 LYS H H 314 8.730 8.730 8.918 -0.188 19038 3377 1 10 . 1 1 315 315 GLY N N 315 117.700 117.700 115.307 2.393 19038 3378 1 10 . 1 1 315 315 GLY H H 315 8.590 8.590 9.019 -0.429 19038 3379 1 10 . 1 1 316 316 ASP N N 316 123.100 123.100 123.052 0.048 19038 3380 1 10 . 1 1 316 316 ASP H H 316 8.960 8.960 8.352 0.608 19038 3381 1 10 . 1 1 317 317 GLN N N 317 119.300 119.300 121.616 -2.316 19038 3382 1 10 . 1 1 317 317 GLN H H 317 9.500 9.500 9.019 0.481 19038 3383 1 10 . 1 1 319 319 LEU N N 319 131.600 131.600 130.554 1.046 19038 3384 1 10 . 1 1 319 319 LEU H H 319 9.090 9.090 9.205 -0.115 19038 3385 1 10 . 1 1 320 320 LEU N N 320 132.200 132.200 128.704 3.496 19038 3386 1 10 . 1 1 320 320 LEU H H 320 8.860 8.860 7.957 0.903 19038 3387 1 10 . 1 1 323 323 MET N N 323 113.300 113.300 119.681 -6.381 19038 3388 1 10 . 1 1 323 323 MET H H 323 7.600 7.600 7.464 0.136 19038 3389 1 10 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 3390 1 10 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 3391 1 10 . 1 1 330 330 ARG N N 330 119.300 119.300 117.084 2.216 19038 3392 1 10 . 1 1 330 330 ARG H H 330 8.630 8.630 8.145 0.485 19038 3393 1 10 . 1 1 332 332 ASN N N 332 117.000 117.000 117.438 -0.438 19038 3394 1 10 . 1 1 332 332 ASN H H 332 7.830 7.830 8.158 -0.328 19038 3395 1 10 . 1 1 333 333 ALA N N 333 124.700 124.700 125.331 -0.631 19038 3396 1 10 . 1 1 333 333 ALA H H 333 8.510 8.510 8.605 -0.095 19038 3397 1 10 . 1 1 334 334 CYS N N 334 123.200 123.200 118.643 4.557 19038 3398 1 10 . 1 1 334 334 CYS H H 334 9.200 9.200 9.218 -0.018 19038 3399 1 10 . 1 1 336 336 MET N N 336 116.200 116.200 114.138 2.062 19038 3400 1 10 . 1 1 336 336 MET H H 336 8.750 8.750 8.064 0.686 19038 3401 1 10 . 1 1 338 338 VAL N N 338 127.100 127.100 127.597 -0.497 19038 3402 1 10 . 1 1 338 338 VAL H H 338 8.060 8.060 8.167 -0.107 19038 3403 1 10 . 1 1 339 339 ASP N N 339 131.600 131.600 127.709 3.891 19038 3404 1 10 . 1 1 339 339 ASP H H 339 10.090 10.090 8.842 1.248 19038 3405 1 10 . 1 1 340 340 PHE N N 340 124.800 124.800 124.432 0.368 19038 3406 1 10 . 1 1 340 340 PHE H H 340 9.520 9.520 8.734 0.786 19038 3407 1 10 . 1 1 341 341 SER N N 341 116.500 116.500 112.020 4.480 19038 3408 1 10 . 1 1 341 341 SER H H 341 8.670 8.670 7.938 0.732 19038 3409 1 10 . 1 1 342 342 ARG N N 342 124.700 124.700 123.040 1.660 19038 3410 1 10 . 1 1 342 342 ARG H H 342 7.170 7.170 7.540 -0.370 19038 3411 1 10 . 1 1 347 347 HIS N N 347 121.900 121.900 120.921 0.979 19038 3412 1 10 . 1 1 347 347 HIS H H 347 8.190 8.190 8.254 -0.064 19038 3413 1 10 . 1 1 356 356 LEU N N 356 119.400 119.400 120.918 -1.518 19038 3414 1 10 . 1 1 356 356 LEU H H 356 6.890 6.890 7.546 -0.656 19038 3415 1 10 . 1 1 360 360 GLN N N 360 118.500 118.500 119.706 -1.206 19038 3416 1 10 . 1 1 360 360 GLN H H 360 8.690 8.690 7.480 1.210 19038 3417 1 10 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 3418 1 10 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 3419 1 10 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 3420 1 10 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 3421 1 10 . 1 1 382 382 SER N N 382 111.600 111.600 114.343 -2.743 19038 3422 1 10 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 3423 1 10 . 1 1 384 384 ALA N N 384 132.000 132.000 130.854 1.146 19038 3424 1 10 . 1 1 384 384 ALA H H 384 8.150 8.150 8.635 -0.485 19038 3425 1 10 . 1 1 387 387 ALA N N 387 124.100 124.100 123.897 0.203 19038 3426 1 10 . 1 1 387 387 ALA H H 387 7.580 7.580 7.667 -0.087 19038 3427 1 10 . 1 1 388 388 GLN N N 388 123.000 123.000 121.728 1.272 19038 3428 1 10 . 1 1 388 388 GLN H H 388 8.410 8.410 8.486 -0.076 19038 3429 1 10 . 1 1 389 389 ILE N N 389 127.100 127.100 124.739 2.361 19038 3430 1 10 . 1 1 389 389 ILE H H 389 8.580 8.580 8.524 0.056 19038 3431 1 10 . 1 1 390 390 GLN N N 390 130.000 130.000 126.536 3.464 19038 3432 1 10 . 1 1 390 390 GLN H H 390 9.520 9.520 8.785 0.735 19038 3433 1 10 . 1 1 391 391 HIS N N 391 125.800 125.800 121.397 4.403 19038 3434 1 10 . 1 1 391 391 HIS H H 391 9.010 9.010 8.652 0.358 19038 3435 1 10 . 1 1 392 392 LYS N N 392 119.200 119.200 119.577 -0.377 19038 3436 1 10 . 1 1 392 392 LYS H H 392 8.890 8.890 8.891 -0.001 19038 3437 1 10 . 1 1 394 394 GLY N N 394 110.200 110.200 108.859 1.341 19038 3438 1 10 . 1 1 394 394 GLY H H 394 6.690 6.690 7.967 -1.277 19038 3439 1 10 . 1 1 395 395 ILE N N 395 125.600 125.600 120.780 4.820 19038 3440 1 10 . 1 1 395 395 ILE H H 395 8.330 8.330 8.017 0.313 19038 3441 1 10 . 1 1 398 398 GLY N N 398 103.000 103.000 107.679 -4.679 19038 3442 1 10 . 1 1 398 398 GLY H H 398 8.500 8.500 8.444 0.056 19038 3443 1 10 . 1 1 400 400 GLN N N 400 126.200 126.200 126.266 -0.066 19038 3444 1 10 . 1 1 400 400 GLN H H 400 8.900 8.900 8.838 0.062 19038 3445 1 10 . 1 1 401 401 ALA N N 401 117.600 117.600 117.668 -0.068 19038 3446 1 10 . 1 1 401 401 ALA H H 401 7.290 7.290 7.810 -0.520 19038 3447 1 10 . 1 1 402 402 LEU N N 402 119.900 119.900 121.745 -1.845 19038 3448 1 10 . 1 1 402 402 LEU H H 402 8.620 8.620 8.610 0.010 19038 3449 1 10 . 1 1 405 405 VAL N N 405 114.400 114.400 113.898 0.502 19038 3450 1 10 . 1 1 405 405 VAL H H 405 9.210 9.210 9.015 0.195 19038 3451 1 10 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 3452 1 10 . 1 1 409 409 ALA H H 409 8.630 8.630 7.881 0.749 19038 3453 1 10 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 3454 1 10 . 1 1 410 410 THR H H 410 8.120 8.120 7.856 0.264 19038 3455 1 10 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 3456 1 10 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 3457 1 10 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 3458 1 10 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 3459 1 10 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 3460 1 10 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 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 173 2.921 -0.044 2.929 19038 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19038 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19038 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19038 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19038 6 1 1 "Average Difference" HN 173 0.607 0.025 0.608 19038 7 1 2 "Average Difference" N 173 2.925 -0.059 2.933 19038 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19038 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19038 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19038 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19038 12 1 2 "Average Difference" HN 173 0.608 0.026 0.609 19038 13 1 3 "Average Difference" N 173 2.921 -0.036 2.930 19038 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19038 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19038 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19038 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19038 18 1 3 "Average Difference" HN 173 0.607 0.026 0.608 19038 19 1 4 "Average Difference" N 173 2.913 -0.054 2.921 19038 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19038 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19038 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19038 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19038 24 1 4 "Average Difference" HN 173 0.610 0.027 0.612 19038 25 1 5 "Average Difference" N 173 2.917 -0.069 2.925 19038 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19038 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19038 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19038 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19038 30 1 5 "Average Difference" HN 173 0.607 0.027 0.608 19038 31 1 6 "Average Difference" N 173 2.909 -0.057 2.916 19038 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19038 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19038 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19038 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19038 36 1 6 "Average Difference" HN 173 0.610 0.026 0.612 19038 37 1 7 "Average Difference" N 173 2.906 -0.058 2.914 19038 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19038 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19038 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19038 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19038 42 1 7 "Average Difference" HN 173 0.611 0.027 0.612 19038 43 1 8 "Average Difference" N 173 2.928 -0.061 2.936 19038 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19038 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19038 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19038 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19038 48 1 8 "Average Difference" HN 173 0.607 0.026 0.609 19038 49 1 9 "Average Difference" N 173 2.909 -0.045 2.917 19038 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19038 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19038 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19038 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19038 54 1 9 "Average Difference" HN 173 0.607 0.026 0.609 19038 55 1 10 "Average Difference" N 173 2.909 -0.045 2.917 19038 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19038 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19038 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19038 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19038 60 1 10 "Average Difference" HN 173 0.607 0.026 0.608 19038 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 19038 _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 12 12 ALA N N 12 130.300 130.300 127.982 2.318 19038 2 1 . 1 1 12 12 ALA H H 12 8.640 8.640 8.681 -0.041 19038 3 1 . 1 1 14 14 LEU N N 14 127.100 127.100 125.868 1.232 19038 4 1 . 1 1 14 14 LEU H H 14 8.400 8.400 8.233 0.167 19038 5 1 . 1 1 17 17 HIS N N 17 111.900 111.900 115.148 -3.248 19038 6 1 . 1 1 17 17 HIS H H 17 7.620 7.620 7.774 -0.154 19038 7 1 . 1 1 18 18 VAL N N 18 127.700 127.700 123.312 4.388 19038 8 1 . 1 1 18 18 VAL H H 18 6.790 6.790 6.830 -0.040 19038 9 1 . 1 1 20 20 GLU N N 20 121.600 121.600 122.022 -0.422 19038 10 1 . 1 1 20 20 GLU H H 20 8.620 8.620 8.943 -0.323 19038 11 1 . 1 1 21 21 HIS N N 21 114.200 114.200 114.437 -0.237 19038 12 1 . 1 1 21 21 HIS H H 21 7.830 7.830 8.284 -0.454 19038 13 1 . 1 1 22 22 LEU N N 22 119.300 119.300 119.787 -0.487 19038 14 1 . 1 1 22 22 LEU H H 22 7.140 7.140 7.317 -0.177 19038 15 1 . 1 1 23 23 VAL N N 23 120.900 120.900 120.675 0.225 19038 16 1 . 1 1 23 23 VAL H H 23 7.080 7.080 7.402 -0.322 19038 17 1 . 1 1 24 24 PHE N N 24 133.900 133.900 128.589 5.311 19038 18 1 . 1 1 24 24 PHE H H 24 9.200 9.200 8.817 0.383 19038 19 1 . 1 1 25 25 ASP N N 25 126.600 126.600 129.536 -2.936 19038 20 1 . 1 1 25 25 ASP H H 25 8.100 8.100 8.387 -0.287 19038 21 1 . 1 1 26 26 PHE N N 26 125.200 125.200 123.457 1.743 19038 22 1 . 1 1 26 26 PHE H H 26 8.260 8.260 8.358 -0.098 19038 23 1 . 1 1 27 27 ASP N N 27 133.400 133.400 128.832 4.568 19038 24 1 . 1 1 27 27 ASP H H 27 8.070 8.070 8.212 -0.142 19038 25 1 . 1 1 30 30 ASN N N 30 116.600 116.600 117.240 -0.640 19038 26 1 . 1 1 30 30 ASN H H 30 6.670 6.670 7.371 -0.701 19038 27 1 . 1 1 34 34 LEU N N 34 120.200 120.200 122.731 -2.531 19038 28 1 . 1 1 34 34 LEU H H 34 7.180 7.180 7.519 -0.339 19038 29 1 . 1 1 35 35 SER N N 35 114.900 114.900 114.915 -0.015 19038 30 1 . 1 1 35 35 SER H H 35 8.540 8.540 8.540 -0.001 19038 31 1 . 1 1 36 36 ALA N N 36 124.900 124.900 123.016 1.884 19038 32 1 . 1 1 36 36 ALA H H 36 7.770 7.770 7.353 0.417 19038 33 1 . 1 1 37 37 GLY N N 37 110.000 110.000 105.258 4.742 19038 34 1 . 1 1 37 37 GLY H H 37 7.370 7.370 7.337 0.033 19038 35 1 . 1 1 39 39 GLN N N 39 122.900 122.900 117.734 5.166 19038 36 1 . 1 1 39 39 GLN H H 39 7.700 7.700 8.937 -1.236 19038 37 1 . 1 1 40 40 GLU N N 40 121.500 121.500 119.585 1.915 19038 38 1 . 1 1 40 40 GLU H H 40 9.850 9.850 8.293 1.557 19038 39 1 . 1 1 44 44 VAL N N 44 120.000 120.000 116.710 3.290 19038 40 1 . 1 1 44 44 VAL H H 44 7.090 7.090 7.491 -0.401 19038 41 1 . 1 1 46 46 GLN N N 46 112.500 112.500 114.751 -2.251 19038 42 1 . 1 1 46 46 GLN H H 46 7.460 7.460 7.643 -0.183 19038 43 1 . 1 1 47 47 GLU N N 47 121.500 121.500 121.537 -0.037 19038 44 1 . 1 1 47 47 GLU H H 47 6.780 6.780 7.522 -0.742 19038 45 1 . 1 1 48 48 SER N N 48 116.000 116.000 118.301 -2.301 19038 46 1 . 1 1 48 48 SER H H 48 8.560 8.560 8.813 -0.253 19038 47 1 . 1 1 49 49 ASN N N 49 116.900 116.900 117.473 -0.573 19038 48 1 . 1 1 49 49 ASN H H 49 8.270 8.270 8.384 -0.114 19038 49 1 . 1 1 50 50 VAL N N 50 126.200 126.200 123.637 2.562 19038 50 1 . 1 1 50 50 VAL H H 50 7.700 7.700 7.502 0.198 19038 51 1 . 1 1 52 52 ASP N N 52 118.000 118.000 117.605 0.395 19038 52 1 . 1 1 52 52 ASP H H 52 8.040 8.040 8.467 -0.427 19038 53 1 . 1 1 54 54 VAL N N 54 114.000 114.000 120.506 -6.506 19038 54 1 . 1 1 54 54 VAL H H 54 8.530 8.530 8.028 0.502 19038 55 1 . 1 1 55 55 TRP N N 55 123.300 123.300 123.110 0.190 19038 56 1 . 1 1 55 55 TRP H H 55 8.920 8.920 9.314 -0.394 19038 57 1 . 1 1 56 56 THR N N 56 120.300 120.300 122.419 -2.119 19038 58 1 . 1 1 56 56 THR H H 56 7.860 7.860 7.846 0.014 19038 59 1 . 1 1 59 59 ASN N N 59 115.300 115.300 118.501 -3.201 19038 60 1 . 1 1 59 59 ASN H H 59 9.250 9.250 9.091 0.159 19038 61 1 . 1 1 60 60 GLY N N 60 104.300 104.300 103.884 0.416 19038 62 1 . 1 1 60 60 GLY H H 60 8.810 8.810 8.563 0.247 19038 63 1 . 1 1 61 61 GLY N N 61 112.200 112.200 110.004 2.196 19038 64 1 . 1 1 61 61 GLY H H 61 7.430 7.430 7.723 -0.293 19038 65 1 . 1 1 62 62 HIS N N 62 121.900 121.900 115.745 6.155 19038 66 1 . 1 1 62 62 HIS H H 62 7.100 7.100 6.852 0.248 19038 67 1 . 1 1 64 64 ILE N N 64 126.000 126.000 119.881 6.119 19038 68 1 . 1 1 64 64 ILE H H 64 10.360 10.360 8.943 1.417 19038 69 1 . 1 1 65 65 ALA N N 65 128.900 128.900 131.122 -2.222 19038 70 1 . 1 1 65 65 ALA H H 65 7.840 7.840 8.115 -0.275 19038 71 1 . 1 1 66 66 THR N N 66 109.300 109.300 115.553 -6.253 19038 72 1 . 1 1 66 66 THR H H 66 8.600 8.600 8.641 -0.041 19038 73 1 . 1 1 67 67 ARG N N 67 115.000 115.000 120.515 -5.515 19038 74 1 . 1 1 67 67 ARG H H 67 6.420 6.420 7.297 -0.877 19038 75 1 . 1 1 68 68 GLY N N 68 112.600 112.600 109.927 2.673 19038 76 1 . 1 1 68 68 GLY H H 68 10.340 10.340 9.269 1.071 19038 77 1 . 1 1 69 69 GLN N N 69 120.100 120.100 121.165 -1.065 19038 78 1 . 1 1 69 69 GLN H H 69 8.910 8.910 8.134 0.776 19038 79 1 . 1 1 70 70 LEU N N 70 117.400 117.400 119.247 -1.847 19038 80 1 . 1 1 70 70 LEU H H 70 6.410 6.410 7.836 -1.426 19038 81 1 . 1 1 73 73 GLU N N 73 115.100 115.100 119.684 -4.584 19038 82 1 . 1 1 73 73 GLU H H 73 7.780 7.780 7.853 -0.073 19038 83 1 . 1 1 74 74 ALA N N 74 121.500 121.500 121.465 0.035 19038 84 1 . 1 1 74 74 ALA H H 74 8.150 8.150 7.762 0.388 19038 85 1 . 1 1 78 78 TYR N N 78 121.800 121.800 122.715 -0.916 19038 86 1 . 1 1 78 78 TYR H H 78 7.350 7.350 7.618 -0.268 19038 87 1 . 1 1 83 83 SER N N 83 127.400 127.400 121.720 5.680 19038 88 1 . 1 1 83 83 SER H H 83 9.970 9.970 9.387 0.583 19038 89 1 . 1 1 85 85 CYS N N 85 111.600 111.600 116.955 -5.356 19038 90 1 . 1 1 85 85 CYS H H 85 5.690 5.690 7.943 -2.253 19038 91 1 . 1 1 90 90 ARG N N 90 124.800 124.800 127.216 -2.416 19038 92 1 . 1 1 90 90 ARG H H 90 9.410 9.410 8.821 0.589 19038 93 1 . 1 1 91 91 GLU N N 91 116.300 116.300 116.131 0.169 19038 94 1 . 1 1 91 91 GLU H H 91 9.340 9.340 8.566 0.774 19038 95 1 . 1 1 92 92 ALA N N 92 123.600 123.600 122.330 1.270 19038 96 1 . 1 1 92 92 ALA H H 92 7.120 7.120 8.612 -1.492 19038 97 1 . 1 1 93 93 GLY N N 93 104.600 104.600 106.352 -1.752 19038 98 1 . 1 1 93 93 GLY H H 93 7.350 7.350 7.723 -0.373 19038 99 1 . 1 1 95 95 ALA N N 95 120.400 120.400 121.641 -1.241 19038 100 1 . 1 1 95 95 ALA H H 95 6.820 6.820 7.485 -0.665 19038 101 1 . 1 1 96 96 TYR N N 96 121.800 121.800 120.713 1.087 19038 102 1 . 1 1 96 96 TYR H H 96 7.300 7.300 7.413 -0.114 19038 103 1 . 1 1 107 107 GLU N N 107 128.200 128.200 118.916 9.284 19038 104 1 . 1 1 107 107 GLU H H 107 8.760 8.760 8.400 0.360 19038 105 1 . 1 1 109 109 ARG N N 109 119.400 119.400 119.316 0.084 19038 106 1 . 1 1 109 109 ARG H H 109 7.590 7.590 8.180 -0.590 19038 107 1 . 1 1 111 111 PHE N N 111 118.100 118.100 117.841 0.259 19038 108 1 . 1 1 111 111 PHE H H 111 7.130 7.130 7.727 -0.597 19038 109 1 . 1 1 126 126 LYS N N 126 119.200 119.200 120.371 -1.171 19038 110 1 . 1 1 126 126 LYS H H 126 7.220 7.220 7.455 -0.235 19038 111 1 . 1 1 130 130 ARG N N 130 121.500 121.500 119.634 1.866 19038 112 1 . 1 1 130 130 ARG H H 130 7.790 7.790 8.250 -0.460 19038 113 1 . 1 1 137 137 SER N N 137 115.900 115.900 116.364 -0.464 19038 114 1 . 1 1 137 137 SER H H 137 8.320 8.320 8.247 0.073 19038 115 1 . 1 1 140 140 GLU N N 140 120.300 120.300 120.380 -0.080 19038 116 1 . 1 1 140 140 GLU H H 140 8.590 8.590 8.079 0.512 19038 117 1 . 1 1 141 141 SER N N 141 113.100 113.100 114.170 -1.070 19038 118 1 . 1 1 141 141 SER H H 141 7.480 7.480 7.876 -0.396 19038 119 1 . 1 1 145 145 GLN N N 145 114.300 114.300 118.178 -3.878 19038 120 1 . 1 1 145 145 GLN H H 145 8.320 8.320 7.990 0.330 19038 121 1 . 1 1 146 146 GLY N N 146 102.100 102.100 106.320 -4.220 19038 122 1 . 1 1 146 146 GLY H H 146 6.490 6.490 7.891 -1.401 19038 123 1 . 1 1 147 147 GLN N N 147 111.500 111.500 114.548 -3.048 19038 124 1 . 1 1 147 147 GLN H H 147 5.880 5.880 6.832 -0.952 19038 125 1 . 1 1 148 148 CYS N N 148 110.800 110.800 115.357 -4.557 19038 126 1 . 1 1 148 148 CYS H H 148 8.230 8.230 8.540 -0.310 19038 127 1 . 1 1 149 149 ASN N N 149 120.100 120.100 121.072 -0.972 19038 128 1 . 1 1 149 149 ASN H H 149 9.130 9.130 9.072 0.058 19038 129 1 . 1 1 150 150 PHE N N 150 124.300 124.300 125.443 -1.143 19038 130 1 . 1 1 150 150 PHE H H 150 9.280 9.280 8.073 1.207 19038 131 1 . 1 1 151 151 THR N N 151 109.000 109.000 110.572 -1.572 19038 132 1 . 1 1 151 151 THR H H 151 7.180 7.180 8.225 -1.045 19038 133 1 . 1 1 152 152 GLU N N 152 119.000 119.000 120.518 -1.518 19038 134 1 . 1 1 152 152 GLU H H 152 6.250 6.250 7.790 -1.540 19038 135 1 . 1 1 153 153 ASP N N 153 115.000 115.000 117.733 -2.733 19038 136 1 . 1 1 153 153 ASP H H 153 8.580 8.580 8.369 0.211 19038 137 1 . 1 1 154 154 TYR N N 154 116.500 116.500 118.352 -1.852 19038 138 1 . 1 1 154 154 TYR H H 154 7.160 7.160 7.635 -0.475 19038 139 1 . 1 1 156 156 GLU N N 156 106.900 106.900 117.006 -10.106 19038 140 1 . 1 1 156 156 GLU H H 156 7.570 7.570 7.725 -0.155 19038 141 1 . 1 1 163 163 PHE N N 163 121.800 121.800 121.926 -0.126 19038 142 1 . 1 1 163 163 PHE H H 163 7.950 7.950 7.470 0.480 19038 143 1 . 1 1 168 168 GLY N N 168 109.500 109.500 106.298 3.202 19038 144 1 . 1 1 168 168 GLY H H 168 7.900 7.900 7.559 0.341 19038 145 1 . 1 1 169 169 LEU N N 169 122.800 122.800 119.996 2.804 19038 146 1 . 1 1 169 169 LEU H H 169 8.490 8.490 8.078 0.412 19038 147 1 . 1 1 171 171 GLU N N 171 123.500 123.500 123.463 0.037 19038 148 1 . 1 1 171 171 GLU H H 171 8.790 8.790 9.025 -0.235 19038 149 1 . 1 1 172 172 GLU N N 172 120.500 120.500 118.332 2.168 19038 150 1 . 1 1 172 172 GLU H H 172 9.410 9.410 8.556 0.854 19038 151 1 . 1 1 189 189 GLY N N 189 110.600 110.600 108.719 1.881 19038 152 1 . 1 1 189 189 GLY H H 189 8.490 8.490 8.234 0.256 19038 153 1 . 1 1 193 193 PHE N N 193 123.800 123.800 121.402 2.398 19038 154 1 . 1 1 193 193 PHE H H 193 8.550 8.550 8.643 -0.093 19038 155 1 . 1 1 196 196 ALA N N 196 125.400 125.400 122.162 3.238 19038 156 1 . 1 1 196 196 ALA H H 196 7.640 7.640 7.703 -0.063 19038 157 1 . 1 1 199 199 ALA N N 199 121.800 121.800 122.441 -0.641 19038 158 1 . 1 1 199 199 ALA H H 199 7.380 7.380 7.847 -0.467 19038 159 1 . 1 1 200 200 LEU N N 200 124.400 124.400 120.125 4.275 19038 160 1 . 1 1 200 200 LEU H H 200 7.850 7.850 7.635 0.215 19038 161 1 . 1 1 207 207 ILE N N 207 120.200 120.200 118.783 1.417 19038 162 1 . 1 1 207 207 ILE H H 207 6.540 6.540 7.009 -0.469 19038 163 1 . 1 1 209 209 GLU N N 209 117.200 117.200 119.666 -2.466 19038 164 1 . 1 1 209 209 GLU H H 209 7.690 7.690 7.682 0.008 19038 165 1 . 1 1 214 214 LYS N N 214 115.700 115.700 120.193 -4.493 19038 166 1 . 1 1 214 214 LYS H H 214 8.040 8.040 8.148 -0.108 19038 167 1 . 1 1 216 216 GLY N N 216 111.500 111.500 111.373 0.127 19038 168 1 . 1 1 216 216 GLY H H 216 8.530 8.530 7.823 0.707 19038 169 1 . 1 1 219 219 ALA N N 219 118.900 118.900 121.637 -2.737 19038 170 1 . 1 1 219 219 ALA H H 219 8.540 8.540 8.407 0.133 19038 171 1 . 1 1 223 223 VAL N N 223 119.500 119.500 118.801 0.699 19038 172 1 . 1 1 223 223 VAL H H 223 7.900 7.900 8.132 -0.232 19038 173 1 . 1 1 224 224 ALA N N 224 116.800 116.800 122.664 -5.864 19038 174 1 . 1 1 224 224 ALA H H 224 9.020 9.020 8.372 0.648 19038 175 1 . 1 1 226 226 GLY N N 226 110.200 110.200 107.918 2.282 19038 176 1 . 1 1 226 226 GLY H H 226 7.700 7.700 7.420 0.280 19038 177 1 . 1 1 227 227 GLN N N 227 118.700 118.700 118.236 0.464 19038 178 1 . 1 1 227 227 GLN H H 227 8.170 8.170 8.407 -0.237 19038 179 1 . 1 1 228 228 VAL N N 228 117.900 117.900 118.762 -0.862 19038 180 1 . 1 1 228 228 VAL H H 228 8.900 8.900 8.983 -0.083 19038 181 1 . 1 1 229 229 ASN N N 229 121.900 121.900 126.536 -4.636 19038 182 1 . 1 1 229 229 ASN H H 229 8.900 8.900 9.203 -0.303 19038 183 1 . 1 1 230 230 GLY N N 230 103.600 103.600 101.703 1.897 19038 184 1 . 1 1 230 230 GLY H H 230 8.580 8.580 8.431 0.149 19038 185 1 . 1 1 231 231 ARG N N 231 119.300 119.300 119.932 -0.632 19038 186 1 . 1 1 231 231 ARG H H 231 7.950 7.950 7.589 0.361 19038 187 1 . 1 1 233 233 ILE N N 233 127.400 127.400 127.394 0.006 19038 188 1 . 1 1 233 233 ILE H H 233 8.250 8.250 8.358 -0.108 19038 189 1 . 1 1 238 238 ALA N N 238 119.900 119.900 122.086 -2.186 19038 190 1 . 1 1 238 238 ALA H H 238 8.610 8.610 8.173 0.437 19038 191 1 . 1 1 239 239 LYS N N 239 122.500 122.500 118.691 3.809 19038 192 1 . 1 1 239 239 LYS H H 239 8.180 8.180 7.955 0.225 19038 193 1 . 1 1 241 241 MET N N 241 120.400 120.400 120.703 -0.303 19038 194 1 . 1 1 241 241 MET H H 241 8.140 8.140 7.906 0.234 19038 195 1 . 1 1 243 243 GLY N N 243 106.400 106.400 107.914 -1.514 19038 196 1 . 1 1 243 243 GLY H H 243 8.740 8.740 8.204 0.536 19038 197 1 . 1 1 254 254 VAL N N 254 118.500 118.500 119.151 -0.651 19038 198 1 . 1 1 254 254 VAL H H 254 7.060 7.060 8.405 -1.345 19038 199 1 . 1 1 260 260 SER N N 260 109.100 109.100 114.986 -5.886 19038 200 1 . 1 1 260 260 SER H H 260 7.030 7.030 7.725 -0.695 19038 201 1 . 1 1 261 261 MET N N 261 118.900 118.900 119.928 -1.027 19038 202 1 . 1 1 261 261 MET H H 261 6.470 6.470 7.990 -1.520 19038 203 1 . 1 1 266 266 LYS N N 266 116.400 116.400 116.353 0.047 19038 204 1 . 1 1 266 266 LYS H H 266 7.260 7.260 7.286 -0.026 19038 205 1 . 1 1 267 267 SER N N 267 114.800 114.800 114.609 0.191 19038 206 1 . 1 1 267 267 SER H H 267 7.110 7.110 7.258 -0.148 19038 207 1 . 1 1 269 269 GLU N N 269 117.700 117.700 118.985 -1.285 19038 208 1 . 1 1 269 269 GLU H H 269 8.990 8.990 8.587 0.404 19038 209 1 . 1 1 271 271 ARG N N 271 117.900 117.900 119.296 -1.396 19038 210 1 . 1 1 271 271 ARG H H 271 7.550 7.550 7.740 -0.190 19038 211 1 . 1 1 273 273 GLU N N 273 119.200 119.200 120.703 -1.503 19038 212 1 . 1 1 273 273 GLU H H 273 7.470 7.470 7.792 -0.322 19038 213 1 . 1 1 274 274 LEU N N 274 115.700 115.700 118.591 -2.891 19038 214 1 . 1 1 274 274 LEU H H 274 6.990 6.990 7.675 -0.685 19038 215 1 . 1 1 275 275 ILE N N 275 122.000 122.000 118.919 3.081 19038 216 1 . 1 1 275 275 ILE H H 275 7.570 7.570 7.923 -0.353 19038 217 1 . 1 1 276 276 GLN N N 276 116.600 116.600 118.764 -2.164 19038 218 1 . 1 1 276 276 GLN H H 276 7.500 7.500 8.034 -0.534 19038 219 1 . 1 1 279 279 GLU N N 279 122.500 122.500 117.397 5.103 19038 220 1 . 1 1 279 279 GLU H H 279 10.010 10.010 8.853 1.157 19038 221 1 . 1 1 280 280 ARG N N 280 121.300 121.300 118.232 3.068 19038 222 1 . 1 1 280 280 ARG H H 280 8.500 8.500 7.470 1.030 19038 223 1 . 1 1 284 284 ALA N N 284 123.100 123.100 121.705 1.395 19038 224 1 . 1 1 284 284 ALA H H 284 8.510 8.510 8.254 0.256 19038 225 1 . 1 1 291 291 ARG N N 291 119.500 119.500 120.790 -1.290 19038 226 1 . 1 1 291 291 ARG H H 291 8.210 8.210 7.808 0.402 19038 227 1 . 1 1 292 292 PHE N N 292 115.500 115.500 117.239 -1.739 19038 228 1 . 1 1 292 292 PHE H H 292 8.570 8.570 7.772 0.798 19038 229 1 . 1 1 293 293 SER N N 293 110.600 110.600 115.925 -5.325 19038 230 1 . 1 1 293 293 SER H H 293 5.950 5.950 7.400 -1.450 19038 231 1 . 1 1 299 299 ARG N N 299 117.700 117.700 117.339 0.361 19038 232 1 . 1 1 299 299 ARG H H 299 8.260 8.260 8.290 -0.030 19038 233 1 . 1 1 300 300 ILE N N 300 122.000 122.000 120.209 1.791 19038 234 1 . 1 1 300 300 ILE H H 300 9.560 9.560 8.443 1.117 19038 235 1 . 1 1 301 301 LEU N N 301 131.900 131.900 128.510 3.390 19038 236 1 . 1 1 301 301 LEU H H 301 8.800 8.800 8.939 -0.139 19038 237 1 . 1 1 302 302 THR N N 302 116.800 116.800 116.147 0.653 19038 238 1 . 1 1 302 302 THR H H 302 8.680 8.680 8.818 -0.139 19038 239 1 . 1 1 303 303 SER N N 303 112.900 112.900 115.374 -2.474 19038 240 1 . 1 1 303 303 SER H H 303 7.500 7.500 7.486 0.014 19038 241 1 . 1 1 304 304 ASP N N 304 121.800 121.800 121.112 0.688 19038 242 1 . 1 1 304 304 ASP H H 304 8.500 8.500 8.590 -0.090 19038 243 1 . 1 1 305 305 TYR N N 305 126.500 126.500 123.410 3.090 19038 244 1 . 1 1 305 305 TYR H H 305 8.390 8.390 8.489 -0.099 19038 245 1 . 1 1 306 306 GLU N N 306 130.500 130.500 128.994 1.506 19038 246 1 . 1 1 306 306 GLU H H 306 7.720 7.720 8.320 -0.600 19038 247 1 . 1 1 307 307 PHE N N 307 130.200 130.200 128.932 1.268 19038 248 1 . 1 1 307 307 PHE H H 307 8.480 8.480 8.630 -0.149 19038 249 1 . 1 1 308 308 HIS N N 308 124.200 124.200 126.288 -2.088 19038 250 1 . 1 1 308 308 HIS H H 308 8.980 8.980 8.833 0.147 19038 251 1 . 1 1 309 309 GLY N N 309 102.900 102.900 103.448 -0.548 19038 252 1 . 1 1 309 309 GLY H H 309 8.360 8.360 8.226 0.134 19038 253 1 . 1 1 310 310 VAL N N 310 124.100 124.100 121.335 2.764 19038 254 1 . 1 1 310 310 VAL H H 310 7.500 7.500 7.248 0.251 19038 255 1 . 1 1 311 311 GLN N N 311 126.400 126.400 125.161 1.239 19038 256 1 . 1 1 311 311 GLN H H 311 8.400 8.400 8.595 -0.195 19038 257 1 . 1 1 312 312 LEU N N 312 128.800 128.800 126.151 2.649 19038 258 1 . 1 1 312 312 LEU H H 312 8.630 8.630 8.379 0.251 19038 259 1 . 1 1 313 313 LYS N N 313 125.100 125.100 121.584 3.516 19038 260 1 . 1 1 313 313 LYS H H 313 8.550 8.550 8.958 -0.408 19038 261 1 . 1 1 314 314 LYS N N 314 122.300 122.300 126.445 -4.146 19038 262 1 . 1 1 314 314 LYS H H 314 8.730 8.730 8.917 -0.187 19038 263 1 . 1 1 315 315 GLY N N 315 117.700 117.700 115.306 2.394 19038 264 1 . 1 1 315 315 GLY H H 315 8.590 8.590 9.018 -0.428 19038 265 1 . 1 1 316 316 ASP N N 316 123.100 123.100 123.051 0.049 19038 266 1 . 1 1 316 316 ASP H H 316 8.960 8.960 8.351 0.609 19038 267 1 . 1 1 317 317 GLN N N 317 119.300 119.300 121.615 -2.315 19038 268 1 . 1 1 317 317 GLN H H 317 9.500 9.500 9.018 0.482 19038 269 1 . 1 1 319 319 LEU N N 319 131.600 131.600 130.552 1.048 19038 270 1 . 1 1 319 319 LEU H H 319 9.090 9.090 9.204 -0.114 19038 271 1 . 1 1 320 320 LEU N N 320 132.200 132.200 128.700 3.500 19038 272 1 . 1 1 320 320 LEU H H 320 8.860 8.860 7.953 0.907 19038 273 1 . 1 1 323 323 MET N N 323 113.300 113.300 119.048 -5.748 19038 274 1 . 1 1 323 323 MET H H 323 7.600 7.600 7.382 0.218 19038 275 1 . 1 1 329 329 GLU N N 329 132.500 132.500 127.062 5.438 19038 276 1 . 1 1 329 329 GLU H H 329 9.520 9.520 8.848 0.672 19038 277 1 . 1 1 330 330 ARG N N 330 119.300 119.300 117.075 2.225 19038 278 1 . 1 1 330 330 ARG H H 330 8.630 8.630 8.144 0.486 19038 279 1 . 1 1 332 332 ASN N N 332 117.000 117.000 117.474 -0.474 19038 280 1 . 1 1 332 332 ASN H H 332 7.830 7.830 8.157 -0.327 19038 281 1 . 1 1 333 333 ALA N N 333 124.700 124.700 125.331 -0.631 19038 282 1 . 1 1 333 333 ALA H H 333 8.510 8.510 8.605 -0.095 19038 283 1 . 1 1 334 334 CYS N N 334 123.200 123.200 118.642 4.558 19038 284 1 . 1 1 334 334 CYS H H 334 9.200 9.200 9.218 -0.018 19038 285 1 . 1 1 336 336 MET N N 336 116.200 116.200 114.137 2.063 19038 286 1 . 1 1 336 336 MET H H 336 8.750 8.750 8.063 0.687 19038 287 1 . 1 1 338 338 VAL N N 338 127.100 127.100 127.595 -0.495 19038 288 1 . 1 1 338 338 VAL H H 338 8.060 8.060 8.165 -0.105 19038 289 1 . 1 1 339 339 ASP N N 339 131.600 131.600 127.705 3.895 19038 290 1 . 1 1 339 339 ASP H H 339 10.090 10.090 8.837 1.253 19038 291 1 . 1 1 340 340 PHE N N 340 124.800 124.800 124.431 0.369 19038 292 1 . 1 1 340 340 PHE H H 340 9.520 9.520 8.731 0.789 19038 293 1 . 1 1 341 341 SER N N 341 116.500 116.500 112.018 4.482 19038 294 1 . 1 1 341 341 SER H H 341 8.670 8.670 7.934 0.736 19038 295 1 . 1 1 342 342 ARG N N 342 124.700 124.700 123.038 1.661 19038 296 1 . 1 1 342 342 ARG H H 342 7.170 7.170 7.535 -0.365 19038 297 1 . 1 1 347 347 HIS N N 347 121.900 121.900 120.899 1.001 19038 298 1 . 1 1 347 347 HIS H H 347 8.190 8.190 8.413 -0.223 19038 299 1 . 1 1 356 356 LEU N N 356 119.400 119.400 121.795 -2.395 19038 300 1 . 1 1 356 356 LEU H H 356 6.890 6.890 7.530 -0.639 19038 301 1 . 1 1 360 360 GLN N N 360 118.500 118.500 119.668 -1.169 19038 302 1 . 1 1 360 360 GLN H H 360 8.690 8.690 7.446 1.244 19038 303 1 . 1 1 380 380 ASP N N 380 116.900 116.900 117.240 -0.340 19038 304 1 . 1 1 380 380 ASP H H 380 8.130 8.130 8.132 -0.002 19038 305 1 . 1 1 381 381 PHE N N 381 119.400 119.400 119.208 0.192 19038 306 1 . 1 1 381 381 PHE H H 381 6.600 6.600 7.803 -1.203 19038 307 1 . 1 1 382 382 SER N N 382 111.600 111.600 114.343 -2.743 19038 308 1 . 1 1 382 382 SER H H 382 9.040 9.040 8.850 0.190 19038 309 1 . 1 1 384 384 ALA N N 384 132.000 132.000 130.854 1.146 19038 310 1 . 1 1 384 384 ALA H H 384 8.150 8.150 8.636 -0.486 19038 311 1 . 1 1 387 387 ALA N N 387 124.100 124.100 123.897 0.203 19038 312 1 . 1 1 387 387 ALA H H 387 7.580 7.580 7.667 -0.087 19038 313 1 . 1 1 388 388 GLN N N 388 123.000 123.000 121.728 1.272 19038 314 1 . 1 1 388 388 GLN H H 388 8.410 8.410 8.486 -0.076 19038 315 1 . 1 1 389 389 ILE N N 389 127.100 127.100 124.739 2.361 19038 316 1 . 1 1 389 389 ILE H H 389 8.580 8.580 8.525 0.055 19038 317 1 . 1 1 390 390 GLN N N 390 130.000 130.000 126.537 3.463 19038 318 1 . 1 1 390 390 GLN H H 390 9.520 9.520 8.786 0.734 19038 319 1 . 1 1 391 391 HIS N N 391 125.800 125.800 121.398 4.402 19038 320 1 . 1 1 391 391 HIS H H 391 9.010 9.010 8.653 0.357 19038 321 1 . 1 1 392 392 LYS N N 392 119.200 119.200 119.578 -0.378 19038 322 1 . 1 1 392 392 LYS H H 392 8.890 8.890 8.892 -0.002 19038 323 1 . 1 1 394 394 GLY N N 394 110.200 110.200 108.859 1.341 19038 324 1 . 1 1 394 394 GLY H H 394 6.690 6.690 7.967 -1.277 19038 325 1 . 1 1 395 395 ILE N N 395 125.600 125.600 120.780 4.820 19038 326 1 . 1 1 395 395 ILE H H 395 8.330 8.330 8.017 0.313 19038 327 1 . 1 1 398 398 GLY N N 398 103.000 103.000 107.680 -4.680 19038 328 1 . 1 1 398 398 GLY H H 398 8.500 8.500 8.445 0.055 19038 329 1 . 1 1 400 400 GLN N N 400 126.200 126.200 126.267 -0.067 19038 330 1 . 1 1 400 400 GLN H H 400 8.900 8.900 8.839 0.061 19038 331 1 . 1 1 401 401 ALA N N 401 117.600 117.600 117.669 -0.069 19038 332 1 . 1 1 401 401 ALA H H 401 7.290 7.290 7.811 -0.521 19038 333 1 . 1 1 402 402 LEU N N 402 119.900 119.900 121.746 -1.846 19038 334 1 . 1 1 402 402 LEU H H 402 8.620 8.620 8.611 0.009 19038 335 1 . 1 1 405 405 VAL N N 405 114.400 114.400 113.898 0.502 19038 336 1 . 1 1 405 405 VAL H H 405 9.210 9.210 9.015 0.195 19038 337 1 . 1 1 409 409 ALA N N 409 121.900 121.900 122.478 -0.578 19038 338 1 . 1 1 409 409 ALA H H 409 8.630 8.630 7.881 0.749 19038 339 1 . 1 1 410 410 THR N N 410 108.400 108.400 111.149 -2.749 19038 340 1 . 1 1 410 410 THR H H 410 8.120 8.120 7.856 0.264 19038 341 1 . 1 1 411 411 THR N N 411 112.600 112.600 113.482 -0.882 19038 342 1 . 1 1 411 411 THR H H 411 7.250 7.250 7.054 0.196 19038 343 1 . 1 1 412 412 LYS N N 412 121.200 121.200 119.146 2.054 19038 344 1 . 1 1 412 412 LYS H H 412 8.950 8.950 8.114 0.836 19038 345 1 . 1 1 413 413 ALA N N 413 125.700 125.700 127.238 -1.538 19038 346 1 . 1 1 413 413 ALA H H 413 8.040 8.040 8.373 -0.333 19038 stop_ save_