data_25763 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25763 _Entry.PDB_ID 2N6G 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 25763 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.705 -9.205 25763 2 1 1 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.601 -0.401 25763 3 1 1 . 1 1 3 3 GLY N N 3 109.800 109.800 112.724 -2.924 25763 4 1 1 . 1 1 3 3 GLY C C 3 174.100 174.100 174.106 -0.006 25763 5 1 1 . 1 1 3 3 GLY CA C 3 45.100 45.100 45.507 -0.407 25763 6 1 1 . 1 1 3 3 GLY H H 3 8.800 8.800 8.621 0.179 25763 7 1 1 . 1 1 4 4 SER N N 4 115.200 115.200 120.470 -5.270 25763 8 1 1 . 1 1 4 4 SER HA H 4 4.510 4.510 4.939 -0.429 25763 9 1 1 . 1 1 4 4 SER C C 4 174.400 174.400 174.405 -0.005 25763 10 1 1 . 1 1 4 4 SER CA C 4 58.200 58.200 57.944 0.256 25763 11 1 1 . 1 1 4 4 SER CB C 4 63.500 63.500 62.888 0.612 25763 12 1 1 . 1 1 4 4 SER H H 4 8.280 8.280 8.314 -0.034 25763 13 1 1 . 1 1 5 5 MET HA H 5 4.200 4.200 4.628 -0.428 25763 14 1 1 . 1 1 5 5 MET C C 5 175.800 175.800 175.647 0.153 25763 15 1 1 . 1 1 5 5 MET CA C 5 61.900 61.900 55.149 6.751 25763 16 1 1 . 1 1 5 5 MET CB C 5 32.900 32.900 33.793 -0.893 25763 17 1 1 . 1 1 6 6 SER N N 6 119.700 119.700 112.808 6.892 25763 18 1 1 . 1 1 6 6 SER HA H 6 4.550 4.550 4.662 -0.112 25763 19 1 1 . 1 1 6 6 SER C C 6 174.100 174.100 172.635 1.465 25763 20 1 1 . 1 1 6 6 SER CA C 6 57.700 57.700 57.609 0.091 25763 21 1 1 . 1 1 6 6 SER CB C 6 63.500 63.500 65.499 -1.998 25763 22 1 1 . 1 1 6 6 SER H H 6 8.530 8.530 7.565 0.965 25763 23 1 1 . 1 1 7 7 ILE N N 7 122.400 122.400 123.756 -1.356 25763 24 1 1 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.291 -0.051 25763 25 1 1 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.014 0.486 25763 26 1 1 . 1 1 7 7 ILE CB C 7 38.800 38.800 38.698 0.102 25763 27 1 1 . 1 1 7 7 ILE H H 7 8.360 8.360 8.345 0.015 25763 28 1 1 . 1 1 8 8 ASN N N 8 123.600 123.600 123.078 0.522 25763 29 1 1 . 1 1 8 8 ASN CA C 8 51.000 51.000 50.607 0.393 25763 30 1 1 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.184 -0.383 25763 31 1 1 . 1 1 8 8 ASN H H 8 8.700 8.700 8.437 0.263 25763 32 1 1 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.425 0.195 25763 33 1 1 . 1 1 13 13 ASP C C 13 176.800 176.800 178.146 -1.346 25763 34 1 1 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.499 -0.799 25763 35 1 1 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.167 -0.267 25763 36 1 1 . 1 1 14 14 ASN N N 14 117.700 117.700 116.903 0.797 25763 37 1 1 . 1 1 14 14 ASN C C 14 175.600 175.600 176.634 -1.034 25763 38 1 1 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.974 -0.674 25763 39 1 1 . 1 1 14 14 ASN CB C 14 39.100 39.100 40.009 -0.909 25763 40 1 1 . 1 1 14 14 ASN H H 14 8.720 8.720 8.483 0.237 25763 41 1 1 . 1 1 15 15 GLY N N 15 107.500 107.500 109.855 -2.355 25763 42 1 1 . 1 1 15 15 GLY C C 15 172.600 172.600 173.880 -1.280 25763 43 1 1 . 1 1 15 15 GLY CA C 15 45.100 45.100 46.148 -1.048 25763 44 1 1 . 1 1 15 15 GLY H H 15 8.160 8.160 8.067 0.093 25763 45 1 1 . 1 1 16 16 SER N N 16 114.000 114.000 116.466 -2.466 25763 46 1 1 . 1 1 16 16 SER HA H 16 4.710 4.710 4.883 -0.173 25763 47 1 1 . 1 1 16 16 SER C C 16 174.100 174.100 173.394 0.706 25763 48 1 1 . 1 1 16 16 SER CA C 16 57.300 57.300 57.331 -0.031 25763 49 1 1 . 1 1 16 16 SER CB C 16 64.200 64.200 65.459 -1.259 25763 50 1 1 . 1 1 16 16 SER H H 16 7.780 7.780 8.025 -0.245 25763 51 1 1 . 1 1 17 17 PHE N N 17 123.000 123.000 121.735 1.265 25763 52 1 1 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.901 -1.201 25763 53 1 1 . 1 1 17 17 PHE CB C 17 46.000 46.000 39.952 6.048 25763 54 1 1 . 1 1 17 17 PHE H H 17 9.570 9.570 8.359 1.211 25763 55 1 1 . 1 1 18 18 PHE N N 18 114.900 114.900 116.140 -1.240 25763 56 1 1 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.722 1.038 25763 57 1 1 . 1 1 18 18 PHE C C 18 177.000 177.000 173.221 3.779 25763 58 1 1 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.442 -0.042 25763 59 1 1 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.460 2.740 25763 60 1 1 . 1 1 18 18 PHE H H 18 9.680 9.680 6.314 3.366 25763 61 1 1 . 1 1 19 19 VAL N N 19 117.000 117.000 121.541 -4.541 25763 62 1 1 . 1 1 19 19 VAL C C 19 175.000 175.000 173.837 1.163 25763 63 1 1 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.753 0.647 25763 64 1 1 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.924 -2.924 25763 65 1 1 . 1 1 19 19 VAL H H 19 8.720 8.720 8.931 -0.211 25763 66 1 1 . 1 1 20 20 LEU N N 20 126.400 126.400 128.897 -2.497 25763 67 1 1 . 1 1 20 20 LEU HA H 20 5.870 5.870 5.185 0.685 25763 68 1 1 . 1 1 20 20 LEU C C 20 176.800 176.800 174.966 1.834 25763 69 1 1 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.432 -1.432 25763 70 1 1 . 1 1 20 20 LEU H H 20 9.490 9.490 9.272 0.218 25763 71 1 1 . 1 1 21 21 VAL N N 21 114.200 114.200 120.354 -6.154 25763 72 1 1 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.273 0.467 25763 73 1 1 . 1 1 21 21 VAL C C 21 174.600 174.600 174.318 0.282 25763 74 1 1 . 1 1 21 21 VAL CA C 21 59.100 59.100 58.827 0.273 25763 75 1 1 . 1 1 21 21 VAL H H 21 9.210 9.210 9.409 -0.199 25763 76 1 1 . 1 1 22 22 ASN N N 22 121.000 121.000 117.812 3.188 25763 77 1 1 . 1 1 22 22 ASN C C 22 177.500 177.500 175.354 2.146 25763 78 1 1 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.127 -2.527 25763 79 1 1 . 1 1 22 22 ASN H H 22 7.390 7.390 8.484 -1.094 25763 80 1 1 . 1 1 23 23 ASP N N 23 117.600 117.600 125.060 -7.460 25763 81 1 1 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.331 0.169 25763 82 1 1 . 1 1 23 23 ASP C C 23 176.500 176.500 177.206 -0.706 25763 83 1 1 . 1 1 23 23 ASP CA C 23 56.100 56.100 57.026 -0.926 25763 84 1 1 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.058 -1.358 25763 85 1 1 . 1 1 23 23 ASP H H 23 8.380 8.380 8.262 0.118 25763 86 1 1 . 1 1 24 24 GLU N N 24 117.900 117.900 117.829 0.071 25763 87 1 1 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.246 0.194 25763 88 1 1 . 1 1 24 24 GLU C C 24 175.100 175.100 175.858 -0.758 25763 89 1 1 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.339 -0.938 25763 90 1 1 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.184 -0.084 25763 91 1 1 . 1 1 24 24 GLU H H 24 7.300 7.300 8.159 -0.859 25763 92 1 1 . 1 1 25 25 GLU N N 25 113.000 113.000 113.230 -0.230 25763 93 1 1 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.869 -0.039 25763 94 1 1 . 1 1 25 25 GLU C C 25 175.900 175.900 175.477 0.423 25763 95 1 1 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.713 -0.013 25763 96 1 1 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.332 -0.832 25763 97 1 1 . 1 1 25 25 GLU H H 25 8.120 8.120 8.149 -0.029 25763 98 1 1 . 1 1 26 26 GLN N N 26 117.100 117.100 117.998 -0.898 25763 99 1 1 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.404 -0.034 25763 100 1 1 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.449 -1.849 25763 101 1 1 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.859 -0.459 25763 102 1 1 . 1 1 26 26 GLN H H 26 7.770 7.770 7.891 -0.121 25763 103 1 1 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.822 0.298 25763 104 1 1 . 1 1 27 27 HIS C C 27 174.100 174.100 174.267 -0.167 25763 105 1 1 . 1 1 27 27 HIS CA C 27 53.900 53.900 54.578 -0.678 25763 106 1 1 . 1 1 28 28 SER N N 28 111.900 111.900 116.121 -4.221 25763 107 1 1 . 1 1 28 28 SER C C 28 173.200 173.200 171.995 1.205 25763 108 1 1 . 1 1 28 28 SER CA C 28 57.700 57.700 57.388 0.312 25763 109 1 1 . 1 1 28 28 SER H H 28 8.830 8.830 9.333 -0.503 25763 110 1 1 . 1 1 29 29 LEU N N 29 126.000 126.000 121.473 4.527 25763 111 1 1 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.658 0.652 25763 112 1 1 . 1 1 29 29 LEU CA C 29 55.200 55.200 54.435 0.765 25763 113 1 1 . 1 1 29 29 LEU H H 29 8.840 8.840 8.344 0.496 25763 114 1 1 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.252 0.818 25763 115 1 1 . 1 1 31 31 PRO C C 31 176.300 176.300 176.443 -0.143 25763 116 1 1 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.663 -0.663 25763 117 1 1 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.038 0.962 25763 118 1 1 . 1 1 32 32 ALA N N 32 121.500 121.500 126.431 -4.931 25763 119 1 1 . 1 1 32 32 ALA HA H 32 3.860 3.860 2.899 0.961 25763 120 1 1 . 1 1 32 32 ALA C C 32 177.600 177.600 177.167 0.433 25763 121 1 1 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.074 0.426 25763 122 1 1 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.748 -0.148 25763 123 1 1 . 1 1 32 32 ALA H H 32 7.940 7.940 7.598 0.342 25763 124 1 1 . 1 1 33 33 PHE N N 33 111.800 111.800 115.645 -3.845 25763 125 1 1 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.419 0.121 25763 126 1 1 . 1 1 33 33 PHE C C 33 174.700 174.700 175.313 -0.613 25763 127 1 1 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.461 -1.061 25763 128 1 1 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.743 -1.243 25763 129 1 1 . 1 1 33 33 PHE H H 33 6.970 6.970 7.469 -0.499 25763 130 1 1 . 1 1 34 34 ALA N N 34 125.700 125.700 122.032 3.668 25763 131 1 1 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.614 0.017 25763 132 1 1 . 1 1 34 34 ALA C C 34 177.700 177.700 175.297 2.403 25763 133 1 1 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.237 -0.937 25763 134 1 1 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.393 -1.193 25763 135 1 1 . 1 1 34 34 ALA H H 34 7.080 7.080 7.650 -0.570 25763 136 1 1 . 1 1 35 35 ASP N N 35 124.700 124.700 119.347 5.353 25763 137 1 1 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.730 -0.230 25763 138 1 1 . 1 1 35 35 ASP C C 35 176.400 176.400 175.533 0.867 25763 139 1 1 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.507 1.493 25763 140 1 1 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.447 -1.347 25763 141 1 1 . 1 1 35 35 ASP H H 35 8.960 8.960 8.351 0.609 25763 142 1 1 . 1 1 36 36 VAL N N 36 125.800 125.800 122.768 3.032 25763 143 1 1 . 1 1 36 36 VAL CA C 36 61.300 61.300 60.480 0.820 25763 144 1 1 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.687 0.413 25763 145 1 1 . 1 1 36 36 VAL H H 36 8.700 8.700 8.327 0.373 25763 146 1 1 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.477 -0.207 25763 147 1 1 . 1 1 37 37 PRO C C 37 175.600 175.600 176.763 -1.163 25763 148 1 1 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.791 -0.691 25763 149 1 1 . 1 1 37 37 PRO CB C 37 31.400 31.400 31.953 -0.553 25763 150 1 1 . 1 1 38 38 ALA N N 38 122.800 122.800 124.626 -1.826 25763 151 1 1 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.085 0.145 25763 152 1 1 . 1 1 38 38 ALA C C 38 179.100 179.100 178.454 0.646 25763 153 1 1 . 1 1 38 38 ALA CA C 38 53.200 53.200 53.374 -0.174 25763 154 1 1 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.231 -1.131 25763 155 1 1 . 1 1 38 38 ALA H H 38 8.380 8.380 8.511 -0.131 25763 156 1 1 . 1 1 39 39 GLY N N 39 110.000 110.000 110.032 -0.032 25763 157 1 1 . 1 1 39 39 GLY C C 39 173.800 173.800 173.910 -0.110 25763 158 1 1 . 1 1 39 39 GLY CA C 39 44.600 44.600 45.029 -0.430 25763 159 1 1 . 1 1 39 39 GLY H H 39 8.880 8.880 8.360 0.520 25763 160 1 1 . 1 1 40 40 TRP N N 40 120.300 120.300 120.314 -0.014 25763 161 1 1 . 1 1 40 40 TRP C C 40 174.800 174.800 175.936 -1.136 25763 162 1 1 . 1 1 40 40 TRP CA C 40 56.100 56.100 56.673 -0.573 25763 163 1 1 . 1 1 40 40 TRP CB C 40 31.600 31.600 30.701 0.899 25763 164 1 1 . 1 1 40 40 TRP H H 40 7.810 7.810 7.597 0.213 25763 165 1 1 . 1 1 41 41 ARG N N 41 117.800 117.800 121.182 -3.382 25763 166 1 1 . 1 1 41 41 ARG C C 41 174.700 174.700 174.383 0.317 25763 167 1 1 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.104 -0.104 25763 168 1 1 . 1 1 41 41 ARG CB C 41 32.900 32.900 33.767 -0.867 25763 169 1 1 . 1 1 41 41 ARG H H 41 9.260 9.260 9.230 0.030 25763 170 1 1 . 1 1 42 42 VAL N N 42 122.400 122.400 126.473 -4.073 25763 171 1 1 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.297 -0.207 25763 172 1 1 . 1 1 42 42 VAL C C 42 177.900 177.900 175.635 2.265 25763 173 1 1 . 1 1 42 42 VAL CA C 42 63.300 63.300 61.571 1.729 25763 174 1 1 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.266 -0.066 25763 175 1 1 . 1 1 42 42 VAL H H 42 8.790 8.790 8.642 0.148 25763 176 1 1 . 1 1 43 43 VAL N N 43 119.100 119.100 123.353 -4.253 25763 177 1 1 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.184 0.606 25763 178 1 1 . 1 1 43 43 VAL C C 43 174.700 174.700 175.760 -1.060 25763 179 1 1 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.857 -2.257 25763 180 1 1 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.409 1.291 25763 181 1 1 . 1 1 43 43 VAL H H 43 9.140 9.140 8.629 0.511 25763 182 1 1 . 1 1 44 44 HIS N N 44 119.200 119.200 118.210 0.990 25763 183 1 1 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.797 -0.247 25763 184 1 1 . 1 1 44 44 HIS C C 44 173.400 173.400 174.175 -0.775 25763 185 1 1 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.025 2.376 25763 186 1 1 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.655 -0.955 25763 187 1 1 . 1 1 44 44 HIS H H 44 7.720 7.720 7.636 0.084 25763 188 1 1 . 1 1 45 45 GLY N N 45 111.800 111.800 110.200 1.600 25763 189 1 1 . 1 1 45 45 GLY C C 45 174.600 174.600 173.937 0.663 25763 190 1 1 . 1 1 45 45 GLY CA C 45 42.100 42.100 43.594 -1.494 25763 191 1 1 . 1 1 45 45 GLY H H 45 7.680 7.680 8.513 -0.833 25763 192 1 1 . 1 1 46 46 GLU N N 46 121.400 121.400 117.663 3.737 25763 193 1 1 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.999 0.191 25763 194 1 1 . 1 1 46 46 GLU C C 46 175.200 175.200 175.516 -0.316 25763 195 1 1 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.272 -0.272 25763 196 1 1 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.445 0.955 25763 197 1 1 . 1 1 46 46 GLU H H 46 8.680 8.680 8.383 0.297 25763 198 1 1 . 1 1 47 47 ALA N N 47 126.700 126.700 127.229 -0.529 25763 199 1 1 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.601 0.199 25763 200 1 1 . 1 1 47 47 ALA C C 47 174.900 174.900 175.909 -1.009 25763 201 1 1 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.168 -0.168 25763 202 1 1 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.693 0.307 25763 203 1 1 . 1 1 47 47 ALA H H 47 9.430 9.430 8.290 1.140 25763 204 1 1 . 1 1 48 48 ASP N N 48 117.400 117.400 118.917 -1.517 25763 205 1 1 . 1 1 48 48 ASP C C 48 175.800 175.800 177.873 -2.073 25763 206 1 1 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.037 0.763 25763 207 1 1 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.657 -1.757 25763 208 1 1 . 1 1 48 48 ASP H H 48 8.560 8.560 8.613 -0.053 25763 209 1 1 . 1 1 49 49 ARG N N 49 121.500 121.500 121.634 -0.134 25763 210 1 1 . 1 1 49 49 ARG HA H 49 3.360 3.360 4.011 -0.651 25763 211 1 1 . 1 1 49 49 ARG C C 49 179.000 179.000 177.932 1.068 25763 212 1 1 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.003 1.897 25763 213 1 1 . 1 1 49 49 ARG H H 49 9.310 9.310 8.722 0.588 25763 214 1 1 . 1 1 50 50 ALA N N 50 119.000 119.000 121.323 -2.323 25763 215 1 1 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.023 0.047 25763 216 1 1 . 1 1 50 50 ALA C C 50 180.500 180.500 178.977 1.523 25763 217 1 1 . 1 1 50 50 ALA CA C 50 55.200 55.200 55.378 -0.178 25763 218 1 1 . 1 1 50 50 ALA CB C 50 17.700 17.700 18.134 -0.434 25763 219 1 1 . 1 1 50 50 ALA H H 50 8.620 8.620 8.509 0.111 25763 220 1 1 . 1 1 51 51 ALA N N 51 121.700 121.700 121.346 0.354 25763 221 1 1 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.328 0.002 25763 222 1 1 . 1 1 51 51 ALA C C 51 182.300 182.300 179.961 2.339 25763 223 1 1 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.719 -0.119 25763 224 1 1 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.059 0.741 25763 225 1 1 . 1 1 51 51 ALA H H 51 8.340 8.340 7.682 0.658 25763 226 1 1 . 1 1 52 52 CYS N N 52 117.900 117.900 118.737 -0.837 25763 227 1 1 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.157 -0.017 25763 228 1 1 . 1 1 52 52 CYS C C 52 176.800 176.800 176.785 0.015 25763 229 1 1 . 1 1 52 52 CYS CA C 52 64.500 64.500 63.037 1.463 25763 230 1 1 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.309 0.791 25763 231 1 1 . 1 1 52 52 CYS H H 52 8.300 8.300 8.146 0.154 25763 232 1 1 . 1 1 53 53 LEU N N 53 120.600 120.600 120.453 0.147 25763 233 1 1 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.808 0.362 25763 234 1 1 . 1 1 53 53 LEU C C 53 179.900 179.900 179.445 0.455 25763 235 1 1 . 1 1 53 53 LEU CA C 53 58.100 58.100 58.294 -0.194 25763 236 1 1 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.294 -0.794 25763 237 1 1 . 1 1 53 53 LEU H H 53 8.780 8.780 8.566 0.214 25763 238 1 1 . 1 1 54 54 GLU N N 54 120.600 120.600 118.851 1.749 25763 239 1 1 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.984 0.136 25763 240 1 1 . 1 1 54 54 GLU C C 54 178.300 178.300 179.101 -0.801 25763 241 1 1 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.360 -0.060 25763 242 1 1 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.141 0.259 25763 243 1 1 . 1 1 54 54 GLU H H 54 8.350 8.350 8.316 0.034 25763 244 1 1 . 1 1 55 55 TYR N N 55 120.800 120.800 121.597 -0.797 25763 245 1 1 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.234 -0.084 25763 246 1 1 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.147 0.553 25763 247 1 1 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.362 -0.762 25763 248 1 1 . 1 1 55 55 TYR H H 55 7.890 7.890 8.122 -0.232 25763 249 1 1 . 1 1 56 56 ILE C C 56 176.700 176.700 177.205 -0.505 25763 250 1 1 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.929 0.271 25763 251 1 1 . 1 1 57 57 GLU N N 57 119.400 119.400 118.752 0.648 25763 252 1 1 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.019 0.011 25763 253 1 1 . 1 1 57 57 GLU C C 57 177.700 177.700 179.191 -1.491 25763 254 1 1 . 1 1 57 57 GLU CA C 57 58.500 58.500 59.332 -0.832 25763 255 1 1 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.843 -0.943 25763 256 1 1 . 1 1 57 57 GLU H H 57 8.290 8.290 8.052 0.238 25763 257 1 1 . 1 1 58 58 GLU N N 58 115.000 115.000 116.514 -1.514 25763 258 1 1 . 1 1 58 58 GLU HA H 58 3.880 3.880 3.965 -0.085 25763 259 1 1 . 1 1 58 58 GLU C C 58 177.600 177.600 176.178 1.422 25763 260 1 1 . 1 1 58 58 GLU CA C 58 57.700 57.700 56.590 1.110 25763 261 1 1 . 1 1 58 58 GLU CB C 58 29.400 29.400 29.205 0.195 25763 262 1 1 . 1 1 58 58 GLU H H 58 7.780 7.780 8.132 -0.352 25763 263 1 1 . 1 1 59 59 HIS N N 59 113.700 113.700 111.819 1.881 25763 264 1 1 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.476 1.924 25763 265 1 1 . 1 1 59 59 HIS CB C 59 28.000 28.000 26.872 1.128 25763 266 1 1 . 1 1 59 59 HIS H H 59 7.420 7.420 7.620 -0.200 25763 267 1 1 . 1 1 63 63 ILE CB C 63 38.600 38.600 38.795 -0.195 25763 268 1 1 . 1 1 68 68 LEU CA C 68 55.700 55.700 53.201 2.499 25763 269 1 1 . 1 1 68 68 LEU CB C 68 42.100 42.100 44.900 -2.800 25763 270 1 1 . 1 1 69 69 ARG N N 69 121.100 121.100 119.957 1.143 25763 271 1 1 . 1 1 69 69 ARG H H 69 8.550 8.550 8.605 -0.055 25763 272 1 1 . 1 1 70 70 ASP C C 70 176.000 176.000 175.137 0.863 25763 273 1 1 . 1 1 70 70 ASP CA C 70 55.600 55.600 54.170 1.430 25763 274 1 1 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.625 -0.625 25763 275 1 1 . 1 1 71 71 LYS N N 71 121.200 121.200 123.963 -2.763 25763 276 1 1 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.407 -0.187 25763 277 1 1 . 1 1 71 71 LYS C C 71 177.500 177.500 175.628 1.872 25763 278 1 1 . 1 1 71 71 LYS CA C 71 57.100 57.100 56.652 0.448 25763 279 1 1 . 1 1 71 71 LYS CB C 71 32.600 32.600 33.566 -0.966 25763 280 1 1 . 1 1 71 71 LYS H H 71 8.260 8.260 8.716 -0.456 25763 281 1 1 . 1 1 72 72 LEU N N 72 121.600 121.600 123.563 -1.963 25763 282 1 1 . 1 1 72 72 LEU CA C 72 55.300 55.300 53.706 1.594 25763 283 1 1 . 1 1 72 72 LEU CB C 72 42.100 42.100 41.370 0.730 25763 284 1 1 . 1 1 72 72 LEU H H 72 8.330 8.330 8.093 0.237 25763 285 1 1 . 1 1 73 73 ALA N N 73 123.900 123.900 124.382 -0.482 25763 286 1 1 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.582 -0.172 25763 287 1 1 . 1 1 73 73 ALA C C 73 177.900 177.900 177.877 0.023 25763 288 1 1 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.515 0.985 25763 289 1 1 . 1 1 73 73 ALA CB C 73 18.800 18.800 20.271 -1.471 25763 290 1 1 . 1 1 73 73 ALA H H 73 8.250 8.250 7.448 0.802 25763 291 1 1 . 1 1 74 74 THR N N 74 112.000 112.000 114.387 -2.387 25763 292 1 1 . 1 1 74 74 THR HA H 74 4.400 4.400 4.277 0.123 25763 293 1 1 . 1 1 74 74 THR C C 74 175.200 175.200 175.103 0.097 25763 294 1 1 . 1 1 74 74 THR CA C 74 61.700 61.700 62.273 -0.573 25763 295 1 1 . 1 1 74 74 THR CB C 74 69.700 69.700 67.488 2.212 25763 296 1 1 . 1 1 74 74 THR H H 74 8.160 8.160 8.395 -0.235 25763 297 1 1 . 1 1 75 75 GLY N N 75 110.600 110.600 112.128 -1.528 25763 298 1 1 . 1 1 75 75 GLY C C 75 174.100 174.100 173.826 0.274 25763 299 1 1 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.339 0.061 25763 300 1 1 . 1 1 75 75 GLY H H 75 8.540 8.540 8.060 0.480 25763 301 1 1 . 1 1 76 76 ARG N N 76 120.100 120.100 122.275 -2.175 25763 302 1 1 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.260 0.110 25763 303 1 1 . 1 1 76 76 ARG C C 76 176.600 176.600 175.712 0.888 25763 304 1 1 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.288 0.712 25763 305 1 1 . 1 1 76 76 ARG CB C 76 30.400 30.400 28.640 1.760 25763 306 1 1 . 1 1 76 76 ARG H H 76 8.340 8.340 8.103 0.237 25763 307 1 1 . 1 1 77 77 GLY N N 77 109.400 109.400 113.916 -4.516 25763 308 1 1 . 1 1 77 77 GLY C C 77 173.800 173.800 172.608 1.192 25763 309 1 1 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.257 -0.357 25763 310 1 1 . 1 1 77 77 GLY H H 77 8.560 8.560 8.039 0.521 25763 311 1 1 . 1 1 78 78 PHE N N 78 119.200 119.200 123.164 -3.964 25763 312 1 1 . 1 1 78 78 PHE C C 78 175.500 175.500 175.436 0.064 25763 313 1 1 . 1 1 78 78 PHE CA C 78 57.800 57.800 58.209 -0.409 25763 314 1 1 . 1 1 78 78 PHE CB C 78 39.300 39.300 40.117 -0.817 25763 315 1 1 . 1 1 78 78 PHE H H 78 8.270 8.270 8.481 -0.211 25763 316 1 1 . 1 1 79 79 ASP N N 79 121.400 121.400 121.335 0.065 25763 317 1 1 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.695 -0.065 25763 318 1 1 . 1 1 79 79 ASP C C 79 175.000 175.000 174.979 0.021 25763 319 1 1 . 1 1 79 79 ASP CA C 79 54.300 54.300 53.736 0.564 25763 320 1 1 . 1 1 79 79 ASP CB C 79 40.700 40.700 40.743 -0.043 25763 321 1 1 . 1 1 79 79 ASP H H 79 8.540 8.540 8.493 0.047 25763 322 1 2 . 1 1 2 2 PRO CA C 2 53.500 53.500 61.827 -8.327 25763 323 1 2 . 1 1 2 2 PRO CB C 2 32.200 32.200 31.064 1.136 25763 324 1 2 . 1 1 3 3 GLY N N 3 109.800 109.800 110.442 -0.642 25763 325 1 2 . 1 1 3 3 GLY C C 3 174.100 174.100 174.214 -0.114 25763 326 1 2 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.797 0.303 25763 327 1 2 . 1 1 3 3 GLY H H 3 8.800 8.800 8.248 0.552 25763 328 1 2 . 1 1 4 4 SER N N 4 115.200 115.200 116.045 -0.845 25763 329 1 2 . 1 1 4 4 SER HA H 4 4.510 4.510 4.690 -0.180 25763 330 1 2 . 1 1 4 4 SER C C 4 174.400 174.400 174.794 -0.394 25763 331 1 2 . 1 1 4 4 SER CA C 4 58.200 58.200 56.585 1.615 25763 332 1 2 . 1 1 4 4 SER CB C 4 63.500 63.500 64.764 -1.264 25763 333 1 2 . 1 1 4 4 SER H H 4 8.280 8.280 7.636 0.644 25763 334 1 2 . 1 1 5 5 MET HA H 5 4.200 4.200 4.326 -0.126 25763 335 1 2 . 1 1 5 5 MET C C 5 175.800 175.800 175.649 0.151 25763 336 1 2 . 1 1 5 5 MET CA C 5 61.900 61.900 57.219 4.681 25763 337 1 2 . 1 1 5 5 MET CB C 5 32.900 32.900 32.935 -0.035 25763 338 1 2 . 1 1 6 6 SER N N 6 119.700 119.700 113.353 6.347 25763 339 1 2 . 1 1 6 6 SER HA H 6 4.550 4.550 4.658 -0.108 25763 340 1 2 . 1 1 6 6 SER C C 6 174.100 174.100 174.048 0.052 25763 341 1 2 . 1 1 6 6 SER CA C 6 57.700 57.700 57.285 0.415 25763 342 1 2 . 1 1 6 6 SER CB C 6 63.500 63.500 64.031 -0.531 25763 343 1 2 . 1 1 6 6 SER H H 6 8.530 8.530 7.989 0.541 25763 344 1 2 . 1 1 7 7 ILE N N 7 122.400 122.400 123.483 -1.083 25763 345 1 2 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.252 -0.012 25763 346 1 2 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.974 -1.474 25763 347 1 2 . 1 1 7 7 ILE CB C 7 38.800 38.800 38.374 0.426 25763 348 1 2 . 1 1 7 7 ILE H H 7 8.360 8.360 8.577 -0.217 25763 349 1 2 . 1 1 8 8 ASN N N 8 123.600 123.600 116.609 6.991 25763 350 1 2 . 1 1 8 8 ASN CA C 8 51.000 51.000 50.993 0.007 25763 351 1 2 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.687 -1.887 25763 352 1 2 . 1 1 8 8 ASN H H 8 8.700 8.700 8.038 0.662 25763 353 1 2 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.373 0.247 25763 354 1 2 . 1 1 13 13 ASP C C 13 176.800 176.800 176.574 0.226 25763 355 1 2 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.424 -0.724 25763 356 1 2 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.388 -0.488 25763 357 1 2 . 1 1 14 14 ASN N N 14 117.700 117.700 116.312 1.388 25763 358 1 2 . 1 1 14 14 ASN C C 14 175.600 175.600 175.169 0.431 25763 359 1 2 . 1 1 14 14 ASN CA C 14 53.300 53.300 52.892 0.409 25763 360 1 2 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.508 0.592 25763 361 1 2 . 1 1 14 14 ASN H H 14 8.720 8.720 8.473 0.247 25763 362 1 2 . 1 1 15 15 GLY N N 15 107.500 107.500 109.911 -2.411 25763 363 1 2 . 1 1 15 15 GLY C C 15 172.600 172.600 173.558 -0.958 25763 364 1 2 . 1 1 15 15 GLY CA C 15 45.100 45.100 45.618 -0.518 25763 365 1 2 . 1 1 15 15 GLY H H 15 8.160 8.160 7.956 0.204 25763 366 1 2 . 1 1 16 16 SER N N 16 114.000 114.000 120.242 -6.242 25763 367 1 2 . 1 1 16 16 SER HA H 16 4.710 4.710 4.955 -0.245 25763 368 1 2 . 1 1 16 16 SER C C 16 174.100 174.100 173.771 0.329 25763 369 1 2 . 1 1 16 16 SER CA C 16 57.300 57.300 56.811 0.489 25763 370 1 2 . 1 1 16 16 SER CB C 16 64.200 64.200 65.551 -1.351 25763 371 1 2 . 1 1 16 16 SER H H 16 7.780 7.780 7.797 -0.017 25763 372 1 2 . 1 1 17 17 PHE N N 17 123.000 123.000 121.206 1.794 25763 373 1 2 . 1 1 17 17 PHE CA C 17 57.700 57.700 59.356 -1.656 25763 374 1 2 . 1 1 17 17 PHE CB C 17 46.000 46.000 40.058 5.942 25763 375 1 2 . 1 1 17 17 PHE H H 17 9.570 9.570 8.009 1.561 25763 376 1 2 . 1 1 18 18 PHE N N 18 114.900 114.900 116.229 -1.329 25763 377 1 2 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.574 1.186 25763 378 1 2 . 1 1 18 18 PHE C C 18 177.000 177.000 173.267 3.733 25763 379 1 2 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.115 0.285 25763 380 1 2 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.389 2.811 25763 381 1 2 . 1 1 18 18 PHE H H 18 9.680 9.680 6.546 3.134 25763 382 1 2 . 1 1 19 19 VAL N N 19 117.000 117.000 115.236 1.764 25763 383 1 2 . 1 1 19 19 VAL C C 19 175.000 175.000 173.396 1.604 25763 384 1 2 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.429 0.971 25763 385 1 2 . 1 1 19 19 VAL CB C 19 33.000 33.000 34.902 -1.902 25763 386 1 2 . 1 1 19 19 VAL H H 19 8.720 8.720 8.815 -0.095 25763 387 1 2 . 1 1 20 20 LEU N N 20 126.400 126.400 124.809 1.591 25763 388 1 2 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.885 0.985 25763 389 1 2 . 1 1 20 20 LEU C C 20 176.800 176.800 174.781 2.019 25763 390 1 2 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.508 -1.508 25763 391 1 2 . 1 1 20 20 LEU H H 20 9.490 9.490 8.907 0.583 25763 392 1 2 . 1 1 21 21 VAL N N 21 114.200 114.200 117.692 -3.492 25763 393 1 2 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.275 0.465 25763 394 1 2 . 1 1 21 21 VAL C C 21 174.600 174.600 173.769 0.831 25763 395 1 2 . 1 1 21 21 VAL CA C 21 59.100 59.100 59.354 -0.254 25763 396 1 2 . 1 1 21 21 VAL H H 21 9.210 9.210 8.949 0.261 25763 397 1 2 . 1 1 22 22 ASN N N 22 121.000 121.000 121.734 -0.734 25763 398 1 2 . 1 1 22 22 ASN C C 22 177.500 177.500 175.224 2.276 25763 399 1 2 . 1 1 22 22 ASN CA C 22 49.600 49.600 51.719 -2.119 25763 400 1 2 . 1 1 22 22 ASN H H 22 7.390 7.390 8.766 -1.376 25763 401 1 2 . 1 1 23 23 ASP N N 23 117.600 117.600 123.736 -6.136 25763 402 1 2 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.443 0.057 25763 403 1 2 . 1 1 23 23 ASP C C 23 176.500 176.500 177.067 -0.567 25763 404 1 2 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.615 -0.516 25763 405 1 2 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.353 -1.653 25763 406 1 2 . 1 1 23 23 ASP H H 23 8.380 8.380 8.663 -0.283 25763 407 1 2 . 1 1 24 24 GLU N N 24 117.900 117.900 118.334 -0.434 25763 408 1 2 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.315 0.125 25763 409 1 2 . 1 1 24 24 GLU C C 24 175.100 175.100 176.188 -1.088 25763 410 1 2 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.155 -0.755 25763 411 1 2 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.434 -0.334 25763 412 1 2 . 1 1 24 24 GLU H H 24 7.300 7.300 8.463 -1.163 25763 413 1 2 . 1 1 25 25 GLU N N 25 113.000 113.000 114.656 -1.656 25763 414 1 2 . 1 1 25 25 GLU HA H 25 3.830 3.830 4.051 -0.221 25763 415 1 2 . 1 1 25 25 GLU C C 25 175.900 175.900 175.302 0.598 25763 416 1 2 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.689 0.011 25763 417 1 2 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.435 -0.935 25763 418 1 2 . 1 1 25 25 GLU H H 25 8.120 8.120 7.913 0.207 25763 419 1 2 . 1 1 26 26 GLN N N 26 117.100 117.100 118.866 -1.766 25763 420 1 2 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.275 0.095 25763 421 1 2 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.331 -1.731 25763 422 1 2 . 1 1 26 26 GLN CB C 26 29.400 29.400 28.388 1.012 25763 423 1 2 . 1 1 26 26 GLN H H 26 7.770 7.770 8.196 -0.426 25763 424 1 2 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.747 0.373 25763 425 1 2 . 1 1 27 27 HIS C C 27 174.100 174.100 174.444 -0.344 25763 426 1 2 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.990 -0.090 25763 427 1 2 . 1 1 28 28 SER N N 28 111.900 111.900 117.633 -5.733 25763 428 1 2 . 1 1 28 28 SER C C 28 173.200 173.200 172.772 0.428 25763 429 1 2 . 1 1 28 28 SER CA C 28 57.700 57.700 58.211 -0.511 25763 430 1 2 . 1 1 28 28 SER H H 28 8.830 8.830 9.296 -0.466 25763 431 1 2 . 1 1 29 29 LEU N N 29 126.000 126.000 121.062 4.938 25763 432 1 2 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.798 0.512 25763 433 1 2 . 1 1 29 29 LEU CA C 29 55.200 55.200 54.955 0.245 25763 434 1 2 . 1 1 29 29 LEU H H 29 8.840 8.840 8.428 0.412 25763 435 1 2 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.359 0.711 25763 436 1 2 . 1 1 31 31 PRO C C 31 176.300 176.300 176.500 -0.200 25763 437 1 2 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.754 -0.754 25763 438 1 2 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.041 0.959 25763 439 1 2 . 1 1 32 32 ALA N N 32 121.500 121.500 126.500 -5.000 25763 440 1 2 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.097 0.763 25763 441 1 2 . 1 1 32 32 ALA C C 32 177.600 177.600 177.309 0.291 25763 442 1 2 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.372 0.128 25763 443 1 2 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.839 -0.239 25763 444 1 2 . 1 1 32 32 ALA H H 32 7.940 7.940 7.889 0.051 25763 445 1 2 . 1 1 33 33 PHE N N 33 111.800 111.800 116.308 -4.508 25763 446 1 2 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.528 0.012 25763 447 1 2 . 1 1 33 33 PHE C C 33 174.700 174.700 174.753 -0.053 25763 448 1 2 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.364 -0.964 25763 449 1 2 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.818 -1.318 25763 450 1 2 . 1 1 33 33 PHE H H 33 6.970 6.970 7.770 -0.800 25763 451 1 2 . 1 1 34 34 ALA N N 34 125.700 125.700 122.320 3.380 25763 452 1 2 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.616 0.014 25763 453 1 2 . 1 1 34 34 ALA C C 34 177.700 177.700 175.409 2.291 25763 454 1 2 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.209 -0.909 25763 455 1 2 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.340 -1.140 25763 456 1 2 . 1 1 34 34 ALA H H 34 7.080 7.080 7.615 -0.535 25763 457 1 2 . 1 1 35 35 ASP N N 35 124.700 124.700 119.813 4.887 25763 458 1 2 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.638 -0.138 25763 459 1 2 . 1 1 35 35 ASP C C 35 176.400 176.400 175.285 1.115 25763 460 1 2 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.072 0.928 25763 461 1 2 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.390 -1.290 25763 462 1 2 . 1 1 35 35 ASP H H 35 8.960 8.960 8.366 0.594 25763 463 1 2 . 1 1 36 36 VAL N N 36 125.800 125.800 121.738 4.062 25763 464 1 2 . 1 1 36 36 VAL CA C 36 61.300 61.300 58.730 2.570 25763 465 1 2 . 1 1 36 36 VAL CB C 36 32.100 32.100 32.467 -0.367 25763 466 1 2 . 1 1 36 36 VAL H H 36 8.700 8.700 8.307 0.393 25763 467 1 2 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.528 -0.258 25763 468 1 2 . 1 1 37 37 PRO C C 37 175.600 175.600 176.327 -0.727 25763 469 1 2 . 1 1 37 37 PRO CA C 37 62.100 62.100 63.363 -1.263 25763 470 1 2 . 1 1 37 37 PRO CB C 37 31.400 31.400 31.730 -0.330 25763 471 1 2 . 1 1 38 38 ALA N N 38 122.800 122.800 127.630 -4.830 25763 472 1 2 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.529 0.701 25763 473 1 2 . 1 1 38 38 ALA C C 38 179.100 179.100 178.046 1.054 25763 474 1 2 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.769 0.431 25763 475 1 2 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.014 -0.914 25763 476 1 2 . 1 1 38 38 ALA H H 38 8.380 8.380 8.236 0.144 25763 477 1 2 . 1 1 39 39 GLY N N 39 110.000 110.000 106.627 3.373 25763 478 1 2 . 1 1 39 39 GLY C C 39 173.800 173.800 172.620 1.180 25763 479 1 2 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.565 0.035 25763 480 1 2 . 1 1 39 39 GLY H H 39 8.880 8.880 8.266 0.614 25763 481 1 2 . 1 1 40 40 TRP N N 40 120.300 120.300 118.080 2.220 25763 482 1 2 . 1 1 40 40 TRP C C 40 174.800 174.800 174.196 0.604 25763 483 1 2 . 1 1 40 40 TRP CA C 40 56.100 56.100 54.389 1.711 25763 484 1 2 . 1 1 40 40 TRP CB C 40 31.600 31.600 31.501 0.099 25763 485 1 2 . 1 1 40 40 TRP H H 40 7.810 7.810 6.545 1.265 25763 486 1 2 . 1 1 41 41 ARG N N 41 117.800 117.800 117.690 0.110 25763 487 1 2 . 1 1 41 41 ARG C C 41 174.700 174.700 173.932 0.768 25763 488 1 2 . 1 1 41 41 ARG CA C 41 54.000 54.000 55.656 -1.656 25763 489 1 2 . 1 1 41 41 ARG CB C 41 32.900 32.900 33.542 -0.642 25763 490 1 2 . 1 1 41 41 ARG H H 41 9.260 9.260 9.315 -0.055 25763 491 1 2 . 1 1 42 42 VAL N N 42 122.400 122.400 125.639 -3.239 25763 492 1 2 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.156 -0.066 25763 493 1 2 . 1 1 42 42 VAL C C 42 177.900 177.900 175.520 2.380 25763 494 1 2 . 1 1 42 42 VAL CA C 42 63.300 63.300 61.872 1.428 25763 495 1 2 . 1 1 42 42 VAL CB C 42 32.200 32.200 33.643 -1.443 25763 496 1 2 . 1 1 42 42 VAL H H 42 8.790 8.790 8.698 0.092 25763 497 1 2 . 1 1 43 43 VAL N N 43 119.100 119.100 122.127 -3.027 25763 498 1 2 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.193 0.597 25763 499 1 2 . 1 1 43 43 VAL C C 43 174.700 174.700 174.684 0.016 25763 500 1 2 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.198 -1.598 25763 501 1 2 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.573 1.127 25763 502 1 2 . 1 1 43 43 VAL H H 43 9.140 9.140 8.713 0.427 25763 503 1 2 . 1 1 44 44 HIS N N 44 119.200 119.200 117.298 1.902 25763 504 1 2 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.882 -0.332 25763 505 1 2 . 1 1 44 44 HIS C C 44 173.400 173.400 174.561 -1.161 25763 506 1 2 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.440 1.960 25763 507 1 2 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.622 -0.922 25763 508 1 2 . 1 1 44 44 HIS H H 44 7.720 7.720 7.618 0.102 25763 509 1 2 . 1 1 45 45 GLY N N 45 111.800 111.800 109.846 1.954 25763 510 1 2 . 1 1 45 45 GLY C C 45 174.600 174.600 174.122 0.478 25763 511 1 2 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.379 -2.279 25763 512 1 2 . 1 1 45 45 GLY H H 45 7.680 7.680 8.614 -0.934 25763 513 1 2 . 1 1 46 46 GLU N N 46 121.400 121.400 118.838 2.562 25763 514 1 2 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.498 0.692 25763 515 1 2 . 1 1 46 46 GLU C C 46 175.200 175.200 175.881 -0.681 25763 516 1 2 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.230 -0.230 25763 517 1 2 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.497 0.903 25763 518 1 2 . 1 1 46 46 GLU H H 46 8.680 8.680 8.227 0.453 25763 519 1 2 . 1 1 47 47 ALA N N 47 126.700 126.700 128.728 -2.028 25763 520 1 2 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.713 0.087 25763 521 1 2 . 1 1 47 47 ALA C C 47 174.900 174.900 175.580 -0.680 25763 522 1 2 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.014 -0.014 25763 523 1 2 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.820 0.180 25763 524 1 2 . 1 1 47 47 ALA H H 47 9.430 9.430 8.320 1.110 25763 525 1 2 . 1 1 48 48 ASP N N 48 117.400 117.400 119.090 -1.690 25763 526 1 2 . 1 1 48 48 ASP C C 48 175.800 175.800 177.163 -1.363 25763 527 1 2 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.529 0.271 25763 528 1 2 . 1 1 48 48 ASP CB C 48 40.900 40.900 43.055 -2.155 25763 529 1 2 . 1 1 48 48 ASP H H 48 8.560 8.560 8.555 0.005 25763 530 1 2 . 1 1 49 49 ARG N N 49 121.500 121.500 120.994 0.506 25763 531 1 2 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.965 -0.605 25763 532 1 2 . 1 1 49 49 ARG C C 49 179.000 179.000 178.055 0.945 25763 533 1 2 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.652 1.248 25763 534 1 2 . 1 1 49 49 ARG H H 49 9.310 9.310 8.798 0.512 25763 535 1 2 . 1 1 50 50 ALA N N 50 119.000 119.000 121.632 -2.632 25763 536 1 2 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.097 -0.027 25763 537 1 2 . 1 1 50 50 ALA C C 50 180.500 180.500 179.524 0.976 25763 538 1 2 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.946 0.254 25763 539 1 2 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.930 -0.230 25763 540 1 2 . 1 1 50 50 ALA H H 50 8.620 8.620 8.507 0.113 25763 541 1 2 . 1 1 51 51 ALA N N 51 121.700 121.700 121.497 0.203 25763 542 1 2 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.493 -0.163 25763 543 1 2 . 1 1 51 51 ALA C C 51 182.300 182.300 180.037 2.263 25763 544 1 2 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.555 0.045 25763 545 1 2 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.119 0.681 25763 546 1 2 . 1 1 51 51 ALA H H 51 8.340 8.340 8.434 -0.094 25763 547 1 2 . 1 1 52 52 CYS N N 52 117.900 117.900 118.476 -0.576 25763 548 1 2 . 1 1 52 52 CYS HA H 52 4.140 4.140 3.678 0.462 25763 549 1 2 . 1 1 52 52 CYS C C 52 176.800 176.800 176.350 0.450 25763 550 1 2 . 1 1 52 52 CYS CA C 52 64.500 64.500 63.503 0.997 25763 551 1 2 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.948 0.152 25763 552 1 2 . 1 1 52 52 CYS H H 52 8.300 8.300 7.814 0.486 25763 553 1 2 . 1 1 53 53 LEU N N 53 120.600 120.600 119.069 1.531 25763 554 1 2 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.757 0.413 25763 555 1 2 . 1 1 53 53 LEU C C 53 179.900 179.900 179.297 0.603 25763 556 1 2 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.953 0.147 25763 557 1 2 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.646 -1.146 25763 558 1 2 . 1 1 53 53 LEU H H 53 8.780 8.780 8.031 0.749 25763 559 1 2 . 1 1 54 54 GLU N N 54 120.600 120.600 117.519 3.081 25763 560 1 2 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.963 0.157 25763 561 1 2 . 1 1 54 54 GLU C C 54 178.300 178.300 178.653 -0.353 25763 562 1 2 . 1 1 54 54 GLU CA C 54 59.300 59.300 58.933 0.367 25763 563 1 2 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.648 -0.248 25763 564 1 2 . 1 1 54 54 GLU H H 54 8.350 8.350 8.019 0.331 25763 565 1 2 . 1 1 55 55 TYR N N 55 120.800 120.800 121.953 -1.153 25763 566 1 2 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.047 0.103 25763 567 1 2 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.386 0.314 25763 568 1 2 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.324 -0.724 25763 569 1 2 . 1 1 55 55 TYR H H 55 7.890 7.890 8.177 -0.287 25763 570 1 2 . 1 1 56 56 ILE C C 56 176.700 176.700 177.244 -0.544 25763 571 1 2 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.937 0.263 25763 572 1 2 . 1 1 57 57 GLU N N 57 119.400 119.400 119.041 0.359 25763 573 1 2 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.024 0.006 25763 574 1 2 . 1 1 57 57 GLU C C 57 177.700 177.700 178.424 -0.724 25763 575 1 2 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.733 -0.233 25763 576 1 2 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.592 -0.692 25763 577 1 2 . 1 1 57 57 GLU H H 57 8.290 8.290 7.483 0.807 25763 578 1 2 . 1 1 58 58 GLU N N 58 115.000 115.000 116.594 -1.594 25763 579 1 2 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.064 -0.184 25763 580 1 2 . 1 1 58 58 GLU C C 58 177.600 177.600 176.194 1.406 25763 581 1 2 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.285 0.415 25763 582 1 2 . 1 1 58 58 GLU CB C 58 29.400 29.400 29.991 -0.591 25763 583 1 2 . 1 1 58 58 GLU H H 58 7.780 7.780 7.745 0.035 25763 584 1 2 . 1 1 59 59 HIS N N 59 113.700 113.700 117.883 -4.183 25763 585 1 2 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.727 1.673 25763 586 1 2 . 1 1 59 59 HIS CB C 59 28.000 28.000 27.574 0.426 25763 587 1 2 . 1 1 59 59 HIS H H 59 7.420 7.420 7.334 0.086 25763 588 1 2 . 1 1 63 63 ILE CB C 63 38.600 38.600 37.648 0.952 25763 589 1 2 . 1 1 68 68 LEU CA C 68 55.700 55.700 54.516 1.184 25763 590 1 2 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.498 -0.398 25763 591 1 2 . 1 1 69 69 ARG N N 69 121.100 121.100 122.043 -0.943 25763 592 1 2 . 1 1 69 69 ARG H H 69 8.550 8.550 8.046 0.504 25763 593 1 2 . 1 1 70 70 ASP C C 70 176.000 176.000 175.554 0.446 25763 594 1 2 . 1 1 70 70 ASP CA C 70 55.600 55.600 53.445 2.155 25763 595 1 2 . 1 1 70 70 ASP CB C 70 41.000 41.000 42.203 -1.203 25763 596 1 2 . 1 1 71 71 LYS N N 71 121.200 121.200 118.721 2.479 25763 597 1 2 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.623 -0.403 25763 598 1 2 . 1 1 71 71 LYS C C 71 177.500 177.500 175.831 1.669 25763 599 1 2 . 1 1 71 71 LYS CA C 71 57.100 57.100 55.174 1.926 25763 600 1 2 . 1 1 71 71 LYS CB C 71 32.600 32.600 33.617 -1.017 25763 601 1 2 . 1 1 71 71 LYS H H 71 8.260 8.260 8.493 -0.233 25763 602 1 2 . 1 1 72 72 LEU N N 72 121.600 121.600 120.653 0.947 25763 603 1 2 . 1 1 72 72 LEU CA C 72 55.300 55.300 55.257 0.043 25763 604 1 2 . 1 1 72 72 LEU CB C 72 42.100 42.100 43.050 -0.950 25763 605 1 2 . 1 1 72 72 LEU H H 72 8.330 8.330 8.263 0.067 25763 606 1 2 . 1 1 73 73 ALA N N 73 123.900 123.900 122.863 1.037 25763 607 1 2 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.246 0.164 25763 608 1 2 . 1 1 73 73 ALA C C 73 177.900 177.900 176.938 0.962 25763 609 1 2 . 1 1 73 73 ALA CA C 73 52.500 52.500 53.054 -0.554 25763 610 1 2 . 1 1 73 73 ALA CB C 73 18.800 18.800 18.076 0.724 25763 611 1 2 . 1 1 73 73 ALA H H 73 8.250 8.250 8.204 0.046 25763 612 1 2 . 1 1 74 74 THR N N 74 112.000 112.000 118.818 -6.818 25763 613 1 2 . 1 1 74 74 THR HA H 74 4.400 4.400 4.308 0.092 25763 614 1 2 . 1 1 74 74 THR C C 74 175.200 175.200 175.769 -0.569 25763 615 1 2 . 1 1 74 74 THR CA C 74 61.700 61.700 61.607 0.093 25763 616 1 2 . 1 1 74 74 THR CB C 74 69.700 69.700 69.044 0.656 25763 617 1 2 . 1 1 74 74 THR H H 74 8.160 8.160 8.526 -0.366 25763 618 1 2 . 1 1 75 75 GLY N N 75 110.600 110.600 111.208 -0.608 25763 619 1 2 . 1 1 75 75 GLY C C 75 174.100 174.100 173.832 0.268 25763 620 1 2 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.234 0.166 25763 621 1 2 . 1 1 75 75 GLY H H 75 8.540 8.540 8.367 0.173 25763 622 1 2 . 1 1 76 76 ARG N N 76 120.100 120.100 122.035 -1.935 25763 623 1 2 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.573 -0.203 25763 624 1 2 . 1 1 76 76 ARG C C 76 176.600 176.600 175.938 0.662 25763 625 1 2 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.717 0.283 25763 626 1 2 . 1 1 76 76 ARG CB C 76 30.400 30.400 31.525 -1.125 25763 627 1 2 . 1 1 76 76 ARG H H 76 8.340 8.340 8.412 -0.072 25763 628 1 2 . 1 1 77 77 GLY N N 77 109.400 109.400 111.745 -2.345 25763 629 1 2 . 1 1 77 77 GLY C C 77 173.800 173.800 173.842 -0.042 25763 630 1 2 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.207 -0.307 25763 631 1 2 . 1 1 77 77 GLY H H 77 8.560 8.560 8.691 -0.131 25763 632 1 2 . 1 1 78 78 PHE N N 78 119.200 119.200 123.816 -4.616 25763 633 1 2 . 1 1 78 78 PHE C C 78 175.500 175.500 173.306 2.194 25763 634 1 2 . 1 1 78 78 PHE CA C 78 57.800 57.800 57.594 0.206 25763 635 1 2 . 1 1 78 78 PHE CB C 78 39.300 39.300 40.968 -1.668 25763 636 1 2 . 1 1 78 78 PHE H H 78 8.270 8.270 8.268 0.002 25763 637 1 2 . 1 1 79 79 ASP N N 79 121.400 121.400 124.446 -3.046 25763 638 1 2 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.400 0.230 25763 639 1 2 . 1 1 79 79 ASP C C 79 175.000 175.000 173.417 1.583 25763 640 1 2 . 1 1 79 79 ASP CA C 79 54.300 54.300 53.192 1.108 25763 641 1 2 . 1 1 79 79 ASP CB C 79 40.700 40.700 42.312 -1.612 25763 642 1 2 . 1 1 79 79 ASP H H 79 8.540 8.540 8.187 0.353 25763 643 1 3 . 1 1 2 2 PRO CA C 2 53.500 53.500 63.304 -9.804 25763 644 1 3 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.349 -0.149 25763 645 1 3 . 1 1 3 3 GLY N N 3 109.800 109.800 109.164 0.636 25763 646 1 3 . 1 1 3 3 GLY C C 3 174.100 174.100 173.466 0.634 25763 647 1 3 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.853 0.247 25763 648 1 3 . 1 1 3 3 GLY H H 3 8.800 8.800 8.243 0.557 25763 649 1 3 . 1 1 4 4 SER N N 4 115.200 115.200 119.149 -3.949 25763 650 1 3 . 1 1 4 4 SER HA H 4 4.510 4.510 4.761 -0.251 25763 651 1 3 . 1 1 4 4 SER C C 4 174.400 174.400 174.421 -0.021 25763 652 1 3 . 1 1 4 4 SER CA C 4 58.200 58.200 57.025 1.175 25763 653 1 3 . 1 1 4 4 SER CB C 4 63.500 63.500 65.549 -2.049 25763 654 1 3 . 1 1 4 4 SER H H 4 8.280 8.280 8.073 0.207 25763 655 1 3 . 1 1 5 5 MET HA H 5 4.200 4.200 4.440 -0.240 25763 656 1 3 . 1 1 5 5 MET C C 5 175.800 175.800 175.933 -0.133 25763 657 1 3 . 1 1 5 5 MET CA C 5 61.900 61.900 56.906 4.994 25763 658 1 3 . 1 1 5 5 MET CB C 5 32.900 32.900 33.627 -0.727 25763 659 1 3 . 1 1 6 6 SER N N 6 119.700 119.700 110.487 9.213 25763 660 1 3 . 1 1 6 6 SER HA H 6 4.550 4.550 4.665 -0.115 25763 661 1 3 . 1 1 6 6 SER C C 6 174.100 174.100 173.059 1.041 25763 662 1 3 . 1 1 6 6 SER CA C 6 57.700 57.700 57.849 -0.149 25763 663 1 3 . 1 1 6 6 SER CB C 6 63.500 63.500 65.751 -2.251 25763 664 1 3 . 1 1 6 6 SER H H 6 8.530 8.530 8.069 0.461 25763 665 1 3 . 1 1 7 7 ILE N N 7 122.400 122.400 124.235 -1.835 25763 666 1 3 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.012 0.228 25763 667 1 3 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.596 -1.097 25763 668 1 3 . 1 1 7 7 ILE CB C 7 38.800 38.800 36.254 2.546 25763 669 1 3 . 1 1 7 7 ILE H H 7 8.360 8.360 8.405 -0.045 25763 670 1 3 . 1 1 8 8 ASN N N 8 123.600 123.600 124.653 -1.053 25763 671 1 3 . 1 1 8 8 ASN CA C 8 51.000 51.000 50.044 0.956 25763 672 1 3 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.511 0.289 25763 673 1 3 . 1 1 8 8 ASN H H 8 8.700 8.700 8.035 0.665 25763 674 1 3 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.615 0.005 25763 675 1 3 . 1 1 13 13 ASP C C 13 176.800 176.800 177.730 -0.930 25763 676 1 3 . 1 1 13 13 ASP CA C 13 55.700 55.700 57.357 -1.657 25763 677 1 3 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.375 -0.475 25763 678 1 3 . 1 1 14 14 ASN N N 14 117.700 117.700 116.636 1.064 25763 679 1 3 . 1 1 14 14 ASN C C 14 175.600 175.600 176.730 -1.130 25763 680 1 3 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.060 0.240 25763 681 1 3 . 1 1 14 14 ASN CB C 14 39.100 39.100 39.305 -0.205 25763 682 1 3 . 1 1 14 14 ASN H H 14 8.720 8.720 8.258 0.462 25763 683 1 3 . 1 1 15 15 GLY N N 15 107.500 107.500 107.340 0.160 25763 684 1 3 . 1 1 15 15 GLY C C 15 172.600 172.600 173.747 -1.147 25763 685 1 3 . 1 1 15 15 GLY CA C 15 45.100 45.100 46.083 -0.983 25763 686 1 3 . 1 1 15 15 GLY H H 15 8.160 8.160 8.449 -0.289 25763 687 1 3 . 1 1 16 16 SER N N 16 114.000 114.000 111.012 2.988 25763 688 1 3 . 1 1 16 16 SER HA H 16 4.710 4.710 4.474 0.236 25763 689 1 3 . 1 1 16 16 SER C C 16 174.100 174.100 172.611 1.489 25763 690 1 3 . 1 1 16 16 SER CA C 16 57.300 57.300 57.291 0.009 25763 691 1 3 . 1 1 16 16 SER CB C 16 64.200 64.200 63.928 0.272 25763 692 1 3 . 1 1 16 16 SER H H 16 7.780 7.780 7.057 0.723 25763 693 1 3 . 1 1 17 17 PHE N N 17 123.000 123.000 120.964 2.036 25763 694 1 3 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.970 -1.270 25763 695 1 3 . 1 1 17 17 PHE CB C 17 46.000 46.000 40.445 5.555 25763 696 1 3 . 1 1 17 17 PHE H H 17 9.570 9.570 8.212 1.358 25763 697 1 3 . 1 1 18 18 PHE N N 18 114.900 114.900 113.816 1.084 25763 698 1 3 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.339 0.421 25763 699 1 3 . 1 1 18 18 PHE C C 18 177.000 177.000 173.795 3.205 25763 700 1 3 . 1 1 18 18 PHE CA C 18 55.400 55.400 54.471 0.929 25763 701 1 3 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.310 2.890 25763 702 1 3 . 1 1 18 18 PHE H H 18 9.680 9.680 5.997 3.683 25763 703 1 3 . 1 1 19 19 VAL N N 19 117.000 117.000 116.595 0.405 25763 704 1 3 . 1 1 19 19 VAL C C 19 175.000 175.000 173.638 1.362 25763 705 1 3 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.137 1.263 25763 706 1 3 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.220 -2.220 25763 707 1 3 . 1 1 19 19 VAL H H 19 8.720 8.720 9.091 -0.371 25763 708 1 3 . 1 1 20 20 LEU N N 20 126.400 126.400 127.583 -1.183 25763 709 1 3 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.799 1.071 25763 710 1 3 . 1 1 20 20 LEU C C 20 176.800 176.800 174.596 2.204 25763 711 1 3 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.501 -1.501 25763 712 1 3 . 1 1 20 20 LEU H H 20 9.490 9.490 9.100 0.390 25763 713 1 3 . 1 1 21 21 VAL N N 21 114.200 114.200 125.383 -11.183 25763 714 1 3 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.309 0.431 25763 715 1 3 . 1 1 21 21 VAL C C 21 174.600 174.600 174.602 -0.002 25763 716 1 3 . 1 1 21 21 VAL CA C 21 59.100 59.100 59.923 -0.823 25763 717 1 3 . 1 1 21 21 VAL H H 21 9.210 9.210 9.086 0.124 25763 718 1 3 . 1 1 22 22 ASN N N 22 121.000 121.000 125.513 -4.513 25763 719 1 3 . 1 1 22 22 ASN C C 22 177.500 177.500 175.850 1.650 25763 720 1 3 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.319 -2.719 25763 721 1 3 . 1 1 22 22 ASN H H 22 7.390 7.390 8.730 -1.340 25763 722 1 3 . 1 1 23 23 ASP N N 23 117.600 117.600 122.459 -4.859 25763 723 1 3 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.355 0.145 25763 724 1 3 . 1 1 23 23 ASP C C 23 176.500 176.500 176.639 -0.139 25763 725 1 3 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.473 -0.373 25763 726 1 3 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.946 -1.246 25763 727 1 3 . 1 1 23 23 ASP H H 23 8.380 8.380 8.300 0.080 25763 728 1 3 . 1 1 24 24 GLU N N 24 117.900 117.900 118.067 -0.167 25763 729 1 3 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.211 0.229 25763 730 1 3 . 1 1 24 24 GLU C C 24 175.100 175.100 175.883 -0.783 25763 731 1 3 . 1 1 24 24 GLU CA C 24 55.400 55.400 55.964 -0.564 25763 732 1 3 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.426 -0.326 25763 733 1 3 . 1 1 24 24 GLU H H 24 7.300 7.300 8.171 -0.871 25763 734 1 3 . 1 1 25 25 GLU N N 25 113.000 113.000 114.683 -1.683 25763 735 1 3 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.881 -0.051 25763 736 1 3 . 1 1 25 25 GLU C C 25 175.900 175.900 175.339 0.561 25763 737 1 3 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.599 0.102 25763 738 1 3 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.580 -1.080 25763 739 1 3 . 1 1 25 25 GLU H H 25 8.120 8.120 7.863 0.257 25763 740 1 3 . 1 1 26 26 GLN N N 26 117.100 117.100 118.430 -1.330 25763 741 1 3 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.091 0.279 25763 742 1 3 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.778 -2.178 25763 743 1 3 . 1 1 26 26 GLN CB C 26 29.400 29.400 28.409 0.991 25763 744 1 3 . 1 1 26 26 GLN H H 26 7.770 7.770 8.073 -0.303 25763 745 1 3 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.772 0.348 25763 746 1 3 . 1 1 27 27 HIS C C 27 174.100 174.100 174.474 -0.374 25763 747 1 3 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.689 0.211 25763 748 1 3 . 1 1 28 28 SER N N 28 111.900 111.900 117.977 -6.077 25763 749 1 3 . 1 1 28 28 SER C C 28 173.200 173.200 173.460 -0.260 25763 750 1 3 . 1 1 28 28 SER CA C 28 57.700 57.700 57.523 0.177 25763 751 1 3 . 1 1 28 28 SER H H 28 8.830 8.830 9.182 -0.352 25763 752 1 3 . 1 1 29 29 LEU N N 29 126.000 126.000 120.225 5.775 25763 753 1 3 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.671 0.639 25763 754 1 3 . 1 1 29 29 LEU CA C 29 55.200 55.200 55.052 0.148 25763 755 1 3 . 1 1 29 29 LEU H H 29 8.840 8.840 8.544 0.296 25763 756 1 3 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.209 0.861 25763 757 1 3 . 1 1 31 31 PRO C C 31 176.300 176.300 176.386 -0.086 25763 758 1 3 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.854 -0.854 25763 759 1 3 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.821 1.179 25763 760 1 3 . 1 1 32 32 ALA N N 32 121.500 121.500 125.829 -4.329 25763 761 1 3 . 1 1 32 32 ALA HA H 32 3.860 3.860 2.509 1.351 25763 762 1 3 . 1 1 32 32 ALA C C 32 177.600 177.600 177.003 0.597 25763 763 1 3 . 1 1 32 32 ALA CA C 32 53.500 53.500 52.929 0.571 25763 764 1 3 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.481 0.119 25763 765 1 3 . 1 1 32 32 ALA H H 32 7.940 7.940 7.486 0.454 25763 766 1 3 . 1 1 33 33 PHE N N 33 111.800 111.800 115.801 -4.001 25763 767 1 3 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.518 0.022 25763 768 1 3 . 1 1 33 33 PHE C C 33 174.700 174.700 174.802 -0.102 25763 769 1 3 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.084 -0.684 25763 770 1 3 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.718 -1.218 25763 771 1 3 . 1 1 33 33 PHE H H 33 6.970 6.970 7.502 -0.532 25763 772 1 3 . 1 1 34 34 ALA N N 34 125.700 125.700 122.479 3.221 25763 773 1 3 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.611 0.019 25763 774 1 3 . 1 1 34 34 ALA C C 34 177.700 177.700 175.803 1.897 25763 775 1 3 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.412 -1.112 25763 776 1 3 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.306 -1.106 25763 777 1 3 . 1 1 34 34 ALA H H 34 7.080 7.080 7.607 -0.527 25763 778 1 3 . 1 1 35 35 ASP N N 35 124.700 124.700 120.160 4.540 25763 779 1 3 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.683 -0.183 25763 780 1 3 . 1 1 35 35 ASP C C 35 176.400 176.400 175.442 0.958 25763 781 1 3 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.781 1.219 25763 782 1 3 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.706 -1.605 25763 783 1 3 . 1 1 35 35 ASP H H 35 8.960 8.960 8.387 0.573 25763 784 1 3 . 1 1 36 36 VAL N N 36 125.800 125.800 124.395 1.405 25763 785 1 3 . 1 1 36 36 VAL CA C 36 61.300 61.300 60.061 1.239 25763 786 1 3 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.585 0.515 25763 787 1 3 . 1 1 36 36 VAL H H 36 8.700 8.700 8.258 0.442 25763 788 1 3 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.506 -0.236 25763 789 1 3 . 1 1 37 37 PRO C C 37 175.600 175.600 176.101 -0.501 25763 790 1 3 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.343 -0.242 25763 791 1 3 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.381 -0.981 25763 792 1 3 . 1 1 38 38 ALA N N 38 122.800 122.800 123.327 -0.527 25763 793 1 3 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.142 0.088 25763 794 1 3 . 1 1 38 38 ALA C C 38 179.100 179.100 178.794 0.306 25763 795 1 3 . 1 1 38 38 ALA CA C 38 53.200 53.200 53.355 -0.155 25763 796 1 3 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.303 -1.203 25763 797 1 3 . 1 1 38 38 ALA H H 38 8.380 8.380 8.235 0.145 25763 798 1 3 . 1 1 39 39 GLY N N 39 110.000 110.000 109.718 0.282 25763 799 1 3 . 1 1 39 39 GLY C C 39 173.800 173.800 173.559 0.241 25763 800 1 3 . 1 1 39 39 GLY CA C 39 44.600 44.600 45.050 -0.450 25763 801 1 3 . 1 1 39 39 GLY H H 39 8.880 8.880 8.371 0.509 25763 802 1 3 . 1 1 40 40 TRP N N 40 120.300 120.300 122.103 -1.803 25763 803 1 3 . 1 1 40 40 TRP C C 40 174.800 174.800 175.740 -0.940 25763 804 1 3 . 1 1 40 40 TRP CA C 40 56.100 56.100 56.050 0.050 25763 805 1 3 . 1 1 40 40 TRP CB C 40 31.600 31.600 29.890 1.710 25763 806 1 3 . 1 1 40 40 TRP H H 40 7.810 7.810 7.501 0.309 25763 807 1 3 . 1 1 41 41 ARG N N 41 117.800 117.800 122.972 -5.172 25763 808 1 3 . 1 1 41 41 ARG C C 41 174.700 174.700 174.754 -0.054 25763 809 1 3 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.854 -0.854 25763 810 1 3 . 1 1 41 41 ARG CB C 41 32.900 32.900 32.163 0.737 25763 811 1 3 . 1 1 41 41 ARG H H 41 9.260 9.260 9.295 -0.035 25763 812 1 3 . 1 1 42 42 VAL N N 42 122.400 122.400 125.650 -3.250 25763 813 1 3 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.288 -0.198 25763 814 1 3 . 1 1 42 42 VAL C C 42 177.900 177.900 176.084 1.816 25763 815 1 3 . 1 1 42 42 VAL CA C 42 63.300 63.300 61.542 1.758 25763 816 1 3 . 1 1 42 42 VAL CB C 42 32.200 32.200 33.239 -1.039 25763 817 1 3 . 1 1 42 42 VAL H H 42 8.790 8.790 8.646 0.144 25763 818 1 3 . 1 1 43 43 VAL N N 43 119.100 119.100 122.613 -3.513 25763 819 1 3 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.465 0.325 25763 820 1 3 . 1 1 43 43 VAL C C 43 174.700 174.700 174.533 0.167 25763 821 1 3 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.017 -1.417 25763 822 1 3 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.924 0.776 25763 823 1 3 . 1 1 43 43 VAL H H 43 9.140 9.140 8.896 0.244 25763 824 1 3 . 1 1 44 44 HIS N N 44 119.200 119.200 118.237 0.963 25763 825 1 3 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.816 -0.266 25763 826 1 3 . 1 1 44 44 HIS C C 44 173.400 173.400 173.963 -0.563 25763 827 1 3 . 1 1 44 44 HIS CA C 44 57.400 57.400 56.017 1.383 25763 828 1 3 . 1 1 44 44 HIS CB C 44 32.700 32.700 32.893 -0.193 25763 829 1 3 . 1 1 44 44 HIS H H 44 7.720 7.720 7.511 0.209 25763 830 1 3 . 1 1 45 45 GLY N N 45 111.800 111.800 112.440 -0.640 25763 831 1 3 . 1 1 45 45 GLY C C 45 174.600 174.600 173.445 1.155 25763 832 1 3 . 1 1 45 45 GLY CA C 45 42.100 42.100 43.923 -1.823 25763 833 1 3 . 1 1 45 45 GLY H H 45 7.680 7.680 8.311 -0.631 25763 834 1 3 . 1 1 46 46 GLU N N 46 121.400 121.400 117.893 3.507 25763 835 1 3 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.657 0.533 25763 836 1 3 . 1 1 46 46 GLU C C 46 175.200 175.200 174.890 0.310 25763 837 1 3 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.420 -0.420 25763 838 1 3 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.123 1.277 25763 839 1 3 . 1 1 46 46 GLU H H 46 8.680 8.680 8.413 0.267 25763 840 1 3 . 1 1 47 47 ALA N N 47 126.700 126.700 124.967 1.733 25763 841 1 3 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.622 0.178 25763 842 1 3 . 1 1 47 47 ALA C C 47 174.900 174.900 175.833 -0.933 25763 843 1 3 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.337 -0.337 25763 844 1 3 . 1 1 47 47 ALA CB C 47 22.000 22.000 22.205 -0.205 25763 845 1 3 . 1 1 47 47 ALA H H 47 9.430 9.430 8.200 1.230 25763 846 1 3 . 1 1 48 48 ASP N N 48 117.400 117.400 119.545 -2.145 25763 847 1 3 . 1 1 48 48 ASP C C 48 175.800 175.800 177.054 -1.254 25763 848 1 3 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.047 0.753 25763 849 1 3 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.018 -1.118 25763 850 1 3 . 1 1 48 48 ASP H H 48 8.560 8.560 8.695 -0.135 25763 851 1 3 . 1 1 49 49 ARG N N 49 121.500 121.500 121.392 0.108 25763 852 1 3 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.987 -0.627 25763 853 1 3 . 1 1 49 49 ARG C C 49 179.000 179.000 178.097 0.903 25763 854 1 3 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.294 1.606 25763 855 1 3 . 1 1 49 49 ARG H H 49 9.310 9.310 8.706 0.604 25763 856 1 3 . 1 1 50 50 ALA N N 50 119.000 119.000 121.517 -2.517 25763 857 1 3 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.128 -0.058 25763 858 1 3 . 1 1 50 50 ALA C C 50 180.500 180.500 179.654 0.846 25763 859 1 3 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.869 0.331 25763 860 1 3 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.906 -0.206 25763 861 1 3 . 1 1 50 50 ALA H H 50 8.620 8.620 8.552 0.068 25763 862 1 3 . 1 1 51 51 ALA N N 51 121.700 121.700 120.790 0.910 25763 863 1 3 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.251 0.079 25763 864 1 3 . 1 1 51 51 ALA C C 51 182.300 182.300 179.841 2.459 25763 865 1 3 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.446 0.154 25763 866 1 3 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.307 0.493 25763 867 1 3 . 1 1 51 51 ALA H H 51 8.340 8.340 8.423 -0.083 25763 868 1 3 . 1 1 52 52 CYS N N 52 117.900 117.900 119.005 -1.105 25763 869 1 3 . 1 1 52 52 CYS HA H 52 4.140 4.140 3.861 0.279 25763 870 1 3 . 1 1 52 52 CYS C C 52 176.800 176.800 176.765 0.035 25763 871 1 3 . 1 1 52 52 CYS CA C 52 64.500 64.500 63.192 1.308 25763 872 1 3 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.338 0.762 25763 873 1 3 . 1 1 52 52 CYS H H 52 8.300 8.300 8.073 0.227 25763 874 1 3 . 1 1 53 53 LEU N N 53 120.600 120.600 119.766 0.834 25763 875 1 3 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.850 0.320 25763 876 1 3 . 1 1 53 53 LEU C C 53 179.900 179.900 179.137 0.763 25763 877 1 3 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.908 0.192 25763 878 1 3 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.337 -0.837 25763 879 1 3 . 1 1 53 53 LEU H H 53 8.780 8.780 8.286 0.494 25763 880 1 3 . 1 1 54 54 GLU N N 54 120.600 120.600 120.000 0.600 25763 881 1 3 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.986 0.134 25763 882 1 3 . 1 1 54 54 GLU C C 54 178.300 178.300 178.694 -0.394 25763 883 1 3 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.251 0.049 25763 884 1 3 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.167 0.233 25763 885 1 3 . 1 1 54 54 GLU H H 54 8.350 8.350 8.100 0.250 25763 886 1 3 . 1 1 55 55 TYR N N 55 120.800 120.800 121.075 -0.275 25763 887 1 3 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.161 -0.011 25763 888 1 3 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.201 0.499 25763 889 1 3 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.575 -0.975 25763 890 1 3 . 1 1 55 55 TYR H H 55 7.890 7.890 8.150 -0.260 25763 891 1 3 . 1 1 56 56 ILE C C 56 176.700 176.700 177.393 -0.693 25763 892 1 3 . 1 1 56 56 ILE CB C 56 38.200 38.200 38.039 0.161 25763 893 1 3 . 1 1 57 57 GLU N N 57 119.400 119.400 118.440 0.960 25763 894 1 3 . 1 1 57 57 GLU HA H 57 4.030 4.030 3.997 0.033 25763 895 1 3 . 1 1 57 57 GLU C C 57 177.700 177.700 177.746 -0.046 25763 896 1 3 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.372 0.128 25763 897 1 3 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.447 -0.547 25763 898 1 3 . 1 1 57 57 GLU H H 57 8.290 8.290 7.923 0.367 25763 899 1 3 . 1 1 58 58 GLU N N 58 115.000 115.000 117.273 -2.273 25763 900 1 3 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.037 -0.157 25763 901 1 3 . 1 1 58 58 GLU C C 58 177.600 177.600 177.394 0.206 25763 902 1 3 . 1 1 58 58 GLU CA C 58 57.700 57.700 58.087 -0.387 25763 903 1 3 . 1 1 58 58 GLU CB C 58 29.400 29.400 29.900 -0.500 25763 904 1 3 . 1 1 58 58 GLU H H 58 7.780 7.780 7.687 0.093 25763 905 1 3 . 1 1 59 59 HIS N N 59 113.700 113.700 115.641 -1.941 25763 906 1 3 . 1 1 59 59 HIS CA C 59 58.400 58.400 57.017 1.383 25763 907 1 3 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.150 -0.150 25763 908 1 3 . 1 1 59 59 HIS H H 59 7.420 7.420 7.593 -0.173 25763 909 1 3 . 1 1 63 63 ILE CB C 63 38.600 38.600 39.391 -0.791 25763 910 1 3 . 1 1 68 68 LEU CA C 68 55.700 55.700 53.901 1.799 25763 911 1 3 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.157 -0.058 25763 912 1 3 . 1 1 69 69 ARG N N 69 121.100 121.100 124.766 -3.666 25763 913 1 3 . 1 1 69 69 ARG H H 69 8.550 8.550 8.741 -0.191 25763 914 1 3 . 1 1 70 70 ASP C C 70 176.000 176.000 176.356 -0.356 25763 915 1 3 . 1 1 70 70 ASP CA C 70 55.600 55.600 55.172 0.428 25763 916 1 3 . 1 1 70 70 ASP CB C 70 41.000 41.000 39.385 1.615 25763 917 1 3 . 1 1 71 71 LYS N N 71 121.200 121.200 119.241 1.959 25763 918 1 3 . 1 1 71 71 LYS HA H 71 4.220 4.220 3.956 0.264 25763 919 1 3 . 1 1 71 71 LYS C C 71 177.500 177.500 177.703 -0.203 25763 920 1 3 . 1 1 71 71 LYS CA C 71 57.100 57.100 58.796 -1.696 25763 921 1 3 . 1 1 71 71 LYS CB C 71 32.600 32.600 32.271 0.329 25763 922 1 3 . 1 1 71 71 LYS H H 71 8.260 8.260 8.221 0.039 25763 923 1 3 . 1 1 72 72 LEU N N 72 121.600 121.600 115.755 5.845 25763 924 1 3 . 1 1 72 72 LEU CA C 72 55.300 55.300 54.906 0.394 25763 925 1 3 . 1 1 72 72 LEU CB C 72 42.100 42.100 41.724 0.376 25763 926 1 3 . 1 1 72 72 LEU H H 72 8.330 8.330 8.056 0.274 25763 927 1 3 . 1 1 73 73 ALA N N 73 123.900 123.900 120.642 3.258 25763 928 1 3 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.485 -0.075 25763 929 1 3 . 1 1 73 73 ALA C C 73 177.900 177.900 177.895 0.005 25763 930 1 3 . 1 1 73 73 ALA CA C 73 52.500 52.500 52.019 0.481 25763 931 1 3 . 1 1 73 73 ALA CB C 73 18.800 18.800 19.157 -0.357 25763 932 1 3 . 1 1 73 73 ALA H H 73 8.250 8.250 7.752 0.498 25763 933 1 3 . 1 1 74 74 THR N N 74 112.000 112.000 118.716 -6.716 25763 934 1 3 . 1 1 74 74 THR HA H 74 4.400 4.400 4.189 0.211 25763 935 1 3 . 1 1 74 74 THR C C 74 175.200 175.200 174.389 0.811 25763 936 1 3 . 1 1 74 74 THR CA C 74 61.700 61.700 63.205 -1.505 25763 937 1 3 . 1 1 74 74 THR CB C 74 69.700 69.700 68.019 1.681 25763 938 1 3 . 1 1 74 74 THR H H 74 8.160 8.160 7.691 0.469 25763 939 1 3 . 1 1 75 75 GLY N N 75 110.600 110.600 112.241 -1.641 25763 940 1 3 . 1 1 75 75 GLY C C 75 174.100 174.100 173.682 0.418 25763 941 1 3 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.456 0.944 25763 942 1 3 . 1 1 75 75 GLY H H 75 8.540 8.540 8.497 0.043 25763 943 1 3 . 1 1 76 76 ARG N N 76 120.100 120.100 126.567 -6.467 25763 944 1 3 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.387 -0.017 25763 945 1 3 . 1 1 76 76 ARG C C 76 176.600 176.600 177.267 -0.667 25763 946 1 3 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.275 0.725 25763 947 1 3 . 1 1 76 76 ARG CB C 76 30.400 30.400 29.680 0.720 25763 948 1 3 . 1 1 76 76 ARG H H 76 8.340 8.340 8.104 0.236 25763 949 1 3 . 1 1 77 77 GLY N N 77 109.400 109.400 113.393 -3.993 25763 950 1 3 . 1 1 77 77 GLY C C 77 173.800 173.800 174.521 -0.721 25763 951 1 3 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.096 -0.196 25763 952 1 3 . 1 1 77 77 GLY H H 77 8.560 8.560 8.592 -0.032 25763 953 1 3 . 1 1 78 78 PHE N N 78 119.200 119.200 122.913 -3.713 25763 954 1 3 . 1 1 78 78 PHE C C 78 175.500 175.500 176.061 -0.561 25763 955 1 3 . 1 1 78 78 PHE CA C 78 57.800 57.800 58.514 -0.714 25763 956 1 3 . 1 1 78 78 PHE CB C 78 39.300 39.300 40.234 -0.934 25763 957 1 3 . 1 1 78 78 PHE H H 78 8.270 8.270 7.807 0.463 25763 958 1 3 . 1 1 79 79 ASP N N 79 121.400 121.400 119.512 1.888 25763 959 1 3 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.352 0.278 25763 960 1 3 . 1 1 79 79 ASP C C 79 175.000 175.000 175.525 -0.525 25763 961 1 3 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.686 -0.386 25763 962 1 3 . 1 1 79 79 ASP CB C 79 40.700 40.700 40.430 0.270 25763 963 1 3 . 1 1 79 79 ASP H H 79 8.540 8.540 8.434 0.106 25763 964 1 4 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.753 -9.253 25763 965 1 4 . 1 1 2 2 PRO CB C 2 32.200 32.200 31.271 0.929 25763 966 1 4 . 1 1 3 3 GLY N N 3 109.800 109.800 112.061 -2.261 25763 967 1 4 . 1 1 3 3 GLY C C 3 174.100 174.100 172.924 1.176 25763 968 1 4 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.453 0.647 25763 969 1 4 . 1 1 3 3 GLY H H 3 8.800 8.800 8.334 0.467 25763 970 1 4 . 1 1 4 4 SER N N 4 115.200 115.200 117.803 -2.603 25763 971 1 4 . 1 1 4 4 SER HA H 4 4.510 4.510 4.758 -0.248 25763 972 1 4 . 1 1 4 4 SER C C 4 174.400 174.400 175.022 -0.622 25763 973 1 4 . 1 1 4 4 SER CA C 4 58.200 58.200 56.358 1.842 25763 974 1 4 . 1 1 4 4 SER CB C 4 63.500 63.500 64.574 -1.074 25763 975 1 4 . 1 1 4 4 SER H H 4 8.280 8.280 8.069 0.211 25763 976 1 4 . 1 1 5 5 MET HA H 5 4.200 4.200 4.330 -0.130 25763 977 1 4 . 1 1 5 5 MET C C 5 175.800 175.800 175.548 0.252 25763 978 1 4 . 1 1 5 5 MET CA C 5 61.900 61.900 57.046 4.854 25763 979 1 4 . 1 1 5 5 MET CB C 5 32.900 32.900 32.998 -0.098 25763 980 1 4 . 1 1 6 6 SER N N 6 119.700 119.700 112.858 6.842 25763 981 1 4 . 1 1 6 6 SER HA H 6 4.550 4.550 4.743 -0.193 25763 982 1 4 . 1 1 6 6 SER C C 6 174.100 174.100 174.465 -0.365 25763 983 1 4 . 1 1 6 6 SER CA C 6 57.700 57.700 56.823 0.877 25763 984 1 4 . 1 1 6 6 SER CB C 6 63.500 63.500 63.794 -0.294 25763 985 1 4 . 1 1 6 6 SER H H 6 8.530 8.530 7.893 0.637 25763 986 1 4 . 1 1 7 7 ILE N N 7 122.400 122.400 126.720 -4.320 25763 987 1 4 . 1 1 7 7 ILE HA H 7 4.240 4.240 3.696 0.544 25763 988 1 4 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.831 -1.331 25763 989 1 4 . 1 1 7 7 ILE CB C 7 38.800 38.800 35.943 2.857 25763 990 1 4 . 1 1 7 7 ILE H H 7 8.360 8.360 8.233 0.127 25763 991 1 4 . 1 1 8 8 ASN N N 8 123.600 123.600 124.936 -1.336 25763 992 1 4 . 1 1 8 8 ASN CA C 8 51.000 51.000 55.373 -4.373 25763 993 1 4 . 1 1 8 8 ASN CB C 8 38.800 38.800 37.446 1.354 25763 994 1 4 . 1 1 8 8 ASN H H 8 8.700 8.700 7.920 0.780 25763 995 1 4 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.496 0.124 25763 996 1 4 . 1 1 13 13 ASP C C 13 176.800 176.800 177.195 -0.395 25763 997 1 4 . 1 1 13 13 ASP CA C 13 55.700 55.700 55.930 -0.230 25763 998 1 4 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.791 0.109 25763 999 1 4 . 1 1 14 14 ASN N N 14 117.700 117.700 118.240 -0.540 25763 1000 1 4 . 1 1 14 14 ASN C C 14 175.600 175.600 176.109 -0.509 25763 1001 1 4 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.710 -0.410 25763 1002 1 4 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.980 0.120 25763 1003 1 4 . 1 1 14 14 ASN H H 14 8.720 8.720 8.094 0.626 25763 1004 1 4 . 1 1 15 15 GLY N N 15 107.500 107.500 109.672 -2.172 25763 1005 1 4 . 1 1 15 15 GLY C C 15 172.600 172.600 174.366 -1.766 25763 1006 1 4 . 1 1 15 15 GLY CA C 15 45.100 45.100 45.328 -0.228 25763 1007 1 4 . 1 1 15 15 GLY H H 15 8.160 8.160 8.210 -0.050 25763 1008 1 4 . 1 1 16 16 SER N N 16 114.000 114.000 115.639 -1.639 25763 1009 1 4 . 1 1 16 16 SER HA H 16 4.710 4.710 4.450 0.260 25763 1010 1 4 . 1 1 16 16 SER C C 16 174.100 174.100 174.299 -0.199 25763 1011 1 4 . 1 1 16 16 SER CA C 16 57.300 57.300 58.117 -0.817 25763 1012 1 4 . 1 1 16 16 SER CB C 16 64.200 64.200 64.655 -0.455 25763 1013 1 4 . 1 1 16 16 SER H H 16 7.780 7.780 8.044 -0.264 25763 1014 1 4 . 1 1 17 17 PHE N N 17 123.000 123.000 119.869 3.131 25763 1015 1 4 . 1 1 17 17 PHE CA C 17 57.700 57.700 59.424 -1.724 25763 1016 1 4 . 1 1 17 17 PHE CB C 17 46.000 46.000 40.109 5.891 25763 1017 1 4 . 1 1 17 17 PHE H H 17 9.570 9.570 8.082 1.488 25763 1018 1 4 . 1 1 18 18 PHE N N 18 114.900 114.900 114.469 0.431 25763 1019 1 4 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.072 0.688 25763 1020 1 4 . 1 1 18 18 PHE C C 18 177.000 177.000 173.688 3.312 25763 1021 1 4 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.308 0.092 25763 1022 1 4 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.539 2.661 25763 1023 1 4 . 1 1 18 18 PHE H H 18 9.680 9.680 6.756 2.924 25763 1024 1 4 . 1 1 19 19 VAL N N 19 117.000 117.000 120.887 -3.887 25763 1025 1 4 . 1 1 19 19 VAL C C 19 175.000 175.000 174.147 0.853 25763 1026 1 4 . 1 1 19 19 VAL CA C 19 62.400 62.400 62.060 0.340 25763 1027 1 4 . 1 1 19 19 VAL CB C 19 33.000 33.000 36.453 -3.454 25763 1028 1 4 . 1 1 19 19 VAL H H 19 8.720 8.720 9.198 -0.478 25763 1029 1 4 . 1 1 20 20 LEU N N 20 126.400 126.400 128.739 -2.339 25763 1030 1 4 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.913 0.957 25763 1031 1 4 . 1 1 20 20 LEU C C 20 176.800 176.800 174.644 2.156 25763 1032 1 4 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.727 -1.727 25763 1033 1 4 . 1 1 20 20 LEU H H 20 9.490 9.490 9.414 0.076 25763 1034 1 4 . 1 1 21 21 VAL N N 21 114.200 114.200 122.147 -7.947 25763 1035 1 4 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.188 0.552 25763 1036 1 4 . 1 1 21 21 VAL C C 21 174.600 174.600 174.508 0.092 25763 1037 1 4 . 1 1 21 21 VAL CA C 21 59.100 59.100 58.722 0.378 25763 1038 1 4 . 1 1 21 21 VAL H H 21 9.210 9.210 9.241 -0.031 25763 1039 1 4 . 1 1 22 22 ASN N N 22 121.000 121.000 126.118 -5.118 25763 1040 1 4 . 1 1 22 22 ASN C C 22 177.500 177.500 176.186 1.314 25763 1041 1 4 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.539 -2.939 25763 1042 1 4 . 1 1 22 22 ASN H H 22 7.390 7.390 8.715 -1.325 25763 1043 1 4 . 1 1 23 23 ASP N N 23 117.600 117.600 121.167 -3.567 25763 1044 1 4 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.515 -0.015 25763 1045 1 4 . 1 1 23 23 ASP C C 23 176.500 176.500 176.432 0.068 25763 1046 1 4 . 1 1 23 23 ASP CA C 23 56.100 56.100 57.358 -1.258 25763 1047 1 4 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.846 -1.146 25763 1048 1 4 . 1 1 23 23 ASP H H 23 8.380 8.380 9.341 -0.961 25763 1049 1 4 . 1 1 24 24 GLU N N 24 117.900 117.900 117.671 0.229 25763 1050 1 4 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.302 0.138 25763 1051 1 4 . 1 1 24 24 GLU C C 24 175.100 175.100 176.034 -0.934 25763 1052 1 4 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.321 -0.921 25763 1053 1 4 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.736 0.364 25763 1054 1 4 . 1 1 24 24 GLU H H 24 7.300 7.300 8.376 -1.076 25763 1055 1 4 . 1 1 25 25 GLU N N 25 113.000 113.000 114.471 -1.471 25763 1056 1 4 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.981 -0.151 25763 1057 1 4 . 1 1 25 25 GLU C C 25 175.900 175.900 175.301 0.599 25763 1058 1 4 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.479 0.221 25763 1059 1 4 . 1 1 25 25 GLU CB C 25 26.500 26.500 28.110 -1.610 25763 1060 1 4 . 1 1 25 25 GLU H H 25 8.120 8.120 7.866 0.254 25763 1061 1 4 . 1 1 26 26 GLN N N 26 117.100 117.100 118.343 -1.243 25763 1062 1 4 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.121 0.249 25763 1063 1 4 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.374 -1.774 25763 1064 1 4 . 1 1 26 26 GLN CB C 26 29.400 29.400 28.117 1.283 25763 1065 1 4 . 1 1 26 26 GLN H H 26 7.770 7.770 8.176 -0.406 25763 1066 1 4 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.615 0.505 25763 1067 1 4 . 1 1 27 27 HIS C C 27 174.100 174.100 174.391 -0.291 25763 1068 1 4 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.914 -0.014 25763 1069 1 4 . 1 1 28 28 SER N N 28 111.900 111.900 118.975 -7.075 25763 1070 1 4 . 1 1 28 28 SER C C 28 173.200 173.200 172.481 0.719 25763 1071 1 4 . 1 1 28 28 SER CA C 28 57.700 57.700 57.285 0.415 25763 1072 1 4 . 1 1 28 28 SER H H 28 8.830 8.830 9.085 -0.255 25763 1073 1 4 . 1 1 29 29 LEU N N 29 126.000 126.000 118.600 7.400 25763 1074 1 4 . 1 1 29 29 LEU HA H 29 5.310 5.310 5.124 0.186 25763 1075 1 4 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.952 1.248 25763 1076 1 4 . 1 1 29 29 LEU H H 29 8.840 8.840 8.135 0.705 25763 1077 1 4 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.166 0.904 25763 1078 1 4 . 1 1 31 31 PRO C C 31 176.300 176.300 176.404 -0.104 25763 1079 1 4 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.814 -0.814 25763 1080 1 4 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.868 1.132 25763 1081 1 4 . 1 1 32 32 ALA N N 32 121.500 121.500 126.486 -4.986 25763 1082 1 4 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.300 0.560 25763 1083 1 4 . 1 1 32 32 ALA C C 32 177.600 177.600 177.455 0.145 25763 1084 1 4 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.258 0.242 25763 1085 1 4 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.561 0.039 25763 1086 1 4 . 1 1 32 32 ALA H H 32 7.940 7.940 7.804 0.136 25763 1087 1 4 . 1 1 33 33 PHE N N 33 111.800 111.800 116.475 -4.675 25763 1088 1 4 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.586 -0.046 25763 1089 1 4 . 1 1 33 33 PHE C C 33 174.700 174.700 175.362 -0.662 25763 1090 1 4 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.183 -0.783 25763 1091 1 4 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.146 -1.646 25763 1092 1 4 . 1 1 33 33 PHE H H 33 6.970 6.970 7.671 -0.701 25763 1093 1 4 . 1 1 34 34 ALA N N 34 125.700 125.700 122.377 3.323 25763 1094 1 4 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.632 -0.002 25763 1095 1 4 . 1 1 34 34 ALA C C 34 177.700 177.700 175.942 1.758 25763 1096 1 4 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.276 -0.976 25763 1097 1 4 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.050 -0.850 25763 1098 1 4 . 1 1 34 34 ALA H H 34 7.080 7.080 7.795 -0.715 25763 1099 1 4 . 1 1 35 35 ASP N N 35 124.700 124.700 120.322 4.378 25763 1100 1 4 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.739 -0.239 25763 1101 1 4 . 1 1 35 35 ASP C C 35 176.400 176.400 175.443 0.957 25763 1102 1 4 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.457 0.543 25763 1103 1 4 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.439 -1.339 25763 1104 1 4 . 1 1 35 35 ASP H H 35 8.960 8.960 8.373 0.587 25763 1105 1 4 . 1 1 36 36 VAL N N 36 125.800 125.800 124.343 1.457 25763 1106 1 4 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.631 1.669 25763 1107 1 4 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.626 0.474 25763 1108 1 4 . 1 1 36 36 VAL H H 36 8.700 8.700 8.346 0.354 25763 1109 1 4 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.433 -0.163 25763 1110 1 4 . 1 1 37 37 PRO C C 37 175.600 175.600 176.281 -0.681 25763 1111 1 4 . 1 1 37 37 PRO CA C 37 62.100 62.100 63.011 -0.911 25763 1112 1 4 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.316 -0.916 25763 1113 1 4 . 1 1 38 38 ALA N N 38 122.800 122.800 125.516 -2.716 25763 1114 1 4 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.017 0.213 25763 1115 1 4 . 1 1 38 38 ALA C C 38 179.100 179.100 178.300 0.800 25763 1116 1 4 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.706 0.494 25763 1117 1 4 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.137 -1.037 25763 1118 1 4 . 1 1 38 38 ALA H H 38 8.380 8.380 8.208 0.172 25763 1119 1 4 . 1 1 39 39 GLY N N 39 110.000 110.000 109.857 0.143 25763 1120 1 4 . 1 1 39 39 GLY C C 39 173.800 173.800 173.865 -0.065 25763 1121 1 4 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.372 0.228 25763 1122 1 4 . 1 1 39 39 GLY H H 39 8.880 8.880 8.364 0.516 25763 1123 1 4 . 1 1 40 40 TRP N N 40 120.300 120.300 120.135 0.165 25763 1124 1 4 . 1 1 40 40 TRP C C 40 174.800 174.800 176.199 -1.399 25763 1125 1 4 . 1 1 40 40 TRP CA C 40 56.100 56.100 55.766 0.334 25763 1126 1 4 . 1 1 40 40 TRP CB C 40 31.600 31.600 29.870 1.730 25763 1127 1 4 . 1 1 40 40 TRP H H 40 7.810 7.810 6.854 0.956 25763 1128 1 4 . 1 1 41 41 ARG N N 41 117.800 117.800 120.577 -2.777 25763 1129 1 4 . 1 1 41 41 ARG C C 41 174.700 174.700 174.693 0.007 25763 1130 1 4 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.062 -0.062 25763 1131 1 4 . 1 1 41 41 ARG CB C 41 32.900 32.900 32.911 -0.011 25763 1132 1 4 . 1 1 41 41 ARG H H 41 9.260 9.260 8.906 0.354 25763 1133 1 4 . 1 1 42 42 VAL N N 42 122.400 122.400 125.774 -3.374 25763 1134 1 4 . 1 1 42 42 VAL HA H 42 4.090 4.090 3.944 0.146 25763 1135 1 4 . 1 1 42 42 VAL C C 42 177.900 177.900 174.457 3.443 25763 1136 1 4 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.756 0.544 25763 1137 1 4 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.507 -0.306 25763 1138 1 4 . 1 1 42 42 VAL H H 42 8.790 8.790 8.735 0.055 25763 1139 1 4 . 1 1 43 43 VAL N N 43 119.100 119.100 126.941 -7.841 25763 1140 1 4 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.396 0.394 25763 1141 1 4 . 1 1 43 43 VAL C C 43 174.700 174.700 174.867 -0.167 25763 1142 1 4 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.268 -1.668 25763 1143 1 4 . 1 1 43 43 VAL CB C 43 33.700 33.700 33.514 0.186 25763 1144 1 4 . 1 1 43 43 VAL H H 43 9.140 9.140 8.679 0.461 25763 1145 1 4 . 1 1 44 44 HIS N N 44 119.200 119.200 117.348 1.852 25763 1146 1 4 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.776 -0.226 25763 1147 1 4 . 1 1 44 44 HIS C C 44 173.400 173.400 174.073 -0.673 25763 1148 1 4 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.544 1.856 25763 1149 1 4 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.851 -1.151 25763 1150 1 4 . 1 1 44 44 HIS H H 44 7.720 7.720 7.905 -0.185 25763 1151 1 4 . 1 1 45 45 GLY N N 45 111.800 111.800 112.467 -0.667 25763 1152 1 4 . 1 1 45 45 GLY C C 45 174.600 174.600 173.311 1.289 25763 1153 1 4 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.130 -2.030 25763 1154 1 4 . 1 1 45 45 GLY H H 45 7.680 7.680 8.109 -0.429 25763 1155 1 4 . 1 1 46 46 GLU N N 46 121.400 121.400 118.481 2.919 25763 1156 1 4 . 1 1 46 46 GLU HA H 46 4.190 4.190 4.135 0.055 25763 1157 1 4 . 1 1 46 46 GLU C C 46 175.200 175.200 175.272 -0.072 25763 1158 1 4 . 1 1 46 46 GLU CA C 46 57.000 57.000 56.449 0.551 25763 1159 1 4 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.772 0.628 25763 1160 1 4 . 1 1 46 46 GLU H H 46 8.680 8.680 8.128 0.552 25763 1161 1 4 . 1 1 47 47 ALA N N 47 126.700 126.700 125.885 0.815 25763 1162 1 4 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.575 0.225 25763 1163 1 4 . 1 1 47 47 ALA C C 47 174.900 174.900 175.917 -1.017 25763 1164 1 4 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.551 -0.551 25763 1165 1 4 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.304 0.696 25763 1166 1 4 . 1 1 47 47 ALA H H 47 9.430 9.430 8.117 1.313 25763 1167 1 4 . 1 1 48 48 ASP N N 48 117.400 117.400 119.106 -1.706 25763 1168 1 4 . 1 1 48 48 ASP C C 48 175.800 175.800 177.853 -2.053 25763 1169 1 4 . 1 1 48 48 ASP CA C 48 53.800 53.800 52.839 0.961 25763 1170 1 4 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.651 -1.751 25763 1171 1 4 . 1 1 48 48 ASP H H 48 8.560 8.560 8.543 0.017 25763 1172 1 4 . 1 1 49 49 ARG N N 49 121.500 121.500 121.411 0.089 25763 1173 1 4 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.810 -0.450 25763 1174 1 4 . 1 1 49 49 ARG C C 49 179.000 179.000 177.956 1.044 25763 1175 1 4 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.382 1.518 25763 1176 1 4 . 1 1 49 49 ARG H H 49 9.310 9.310 8.776 0.534 25763 1177 1 4 . 1 1 50 50 ALA N N 50 119.000 119.000 120.384 -1.384 25763 1178 1 4 . 1 1 50 50 ALA HA H 50 4.070 4.070 3.996 0.074 25763 1179 1 4 . 1 1 50 50 ALA C C 50 180.500 180.500 179.073 1.427 25763 1180 1 4 . 1 1 50 50 ALA CA C 50 55.200 55.200 55.084 0.116 25763 1181 1 4 . 1 1 50 50 ALA CB C 50 17.700 17.700 18.173 -0.473 25763 1182 1 4 . 1 1 50 50 ALA H H 50 8.620 8.620 8.276 0.344 25763 1183 1 4 . 1 1 51 51 ALA N N 51 121.700 121.700 121.089 0.611 25763 1184 1 4 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.066 0.264 25763 1185 1 4 . 1 1 51 51 ALA C C 51 182.300 182.300 179.284 3.016 25763 1186 1 4 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.691 -0.092 25763 1187 1 4 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.004 0.796 25763 1188 1 4 . 1 1 51 51 ALA H H 51 8.340 8.340 7.776 0.564 25763 1189 1 4 . 1 1 52 52 CYS N N 52 117.900 117.900 118.752 -0.852 25763 1190 1 4 . 1 1 52 52 CYS HA H 52 4.140 4.140 3.733 0.407 25763 1191 1 4 . 1 1 52 52 CYS C C 52 176.800 176.800 176.614 0.186 25763 1192 1 4 . 1 1 52 52 CYS CA C 52 64.500 64.500 62.069 2.431 25763 1193 1 4 . 1 1 52 52 CYS CB C 52 27.100 27.100 25.977 1.123 25763 1194 1 4 . 1 1 52 52 CYS H H 52 8.300 8.300 7.923 0.377 25763 1195 1 4 . 1 1 53 53 LEU N N 53 120.600 120.600 119.645 0.955 25763 1196 1 4 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.804 0.366 25763 1197 1 4 . 1 1 53 53 LEU C C 53 179.900 179.900 179.138 0.762 25763 1198 1 4 . 1 1 53 53 LEU CA C 53 58.100 58.100 58.096 0.004 25763 1199 1 4 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.430 -0.930 25763 1200 1 4 . 1 1 53 53 LEU H H 53 8.780 8.780 8.162 0.618 25763 1201 1 4 . 1 1 54 54 GLU N N 54 120.600 120.600 118.852 1.748 25763 1202 1 4 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.969 0.151 25763 1203 1 4 . 1 1 54 54 GLU C C 54 178.300 178.300 179.200 -0.900 25763 1204 1 4 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.080 0.220 25763 1205 1 4 . 1 1 54 54 GLU CB C 54 29.400 29.400 28.964 0.436 25763 1206 1 4 . 1 1 54 54 GLU H H 54 8.350 8.350 8.256 0.094 25763 1207 1 4 . 1 1 55 55 TYR N N 55 120.800 120.800 121.033 -0.233 25763 1208 1 4 . 1 1 55 55 TYR HA H 55 4.150 4.150 3.967 0.183 25763 1209 1 4 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.543 0.157 25763 1210 1 4 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.059 -0.459 25763 1211 1 4 . 1 1 55 55 TYR H H 55 7.890 7.890 7.986 -0.096 25763 1212 1 4 . 1 1 56 56 ILE C C 56 176.700 176.700 177.912 -1.212 25763 1213 1 4 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.556 0.644 25763 1214 1 4 . 1 1 57 57 GLU N N 57 119.400 119.400 119.130 0.270 25763 1215 1 4 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.007 0.023 25763 1216 1 4 . 1 1 57 57 GLU C C 57 177.700 177.700 178.552 -0.852 25763 1217 1 4 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.811 -0.311 25763 1218 1 4 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.742 -0.843 25763 1219 1 4 . 1 1 57 57 GLU H H 57 8.290 8.290 8.143 0.147 25763 1220 1 4 . 1 1 58 58 GLU N N 58 115.000 115.000 119.172 -4.172 25763 1221 1 4 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.076 -0.196 25763 1222 1 4 . 1 1 58 58 GLU C C 58 177.600 177.600 176.192 1.408 25763 1223 1 4 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.182 0.518 25763 1224 1 4 . 1 1 58 58 GLU CB C 58 29.400 29.400 29.499 -0.099 25763 1225 1 4 . 1 1 58 58 GLU H H 58 7.780 7.780 7.656 0.124 25763 1226 1 4 . 1 1 59 59 HIS N N 59 113.700 113.700 116.242 -2.542 25763 1227 1 4 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.464 1.936 25763 1228 1 4 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.073 -0.073 25763 1229 1 4 . 1 1 59 59 HIS H H 59 7.420 7.420 7.315 0.105 25763 1230 1 4 . 1 1 63 63 ILE CB C 63 38.600 38.600 38.478 0.122 25763 1231 1 4 . 1 1 68 68 LEU CA C 68 55.700 55.700 54.279 1.421 25763 1232 1 4 . 1 1 68 68 LEU CB C 68 42.100 42.100 44.438 -2.338 25763 1233 1 4 . 1 1 69 69 ARG N N 69 121.100 121.100 116.326 4.774 25763 1234 1 4 . 1 1 69 69 ARG H H 69 8.550 8.550 8.883 -0.333 25763 1235 1 4 . 1 1 70 70 ASP C C 70 176.000 176.000 175.318 0.682 25763 1236 1 4 . 1 1 70 70 ASP CA C 70 55.600 55.600 53.905 1.695 25763 1237 1 4 . 1 1 70 70 ASP CB C 70 41.000 41.000 39.728 1.272 25763 1238 1 4 . 1 1 71 71 LYS N N 71 121.200 121.200 120.753 0.447 25763 1239 1 4 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.346 -0.126 25763 1240 1 4 . 1 1 71 71 LYS C C 71 177.500 177.500 176.067 1.433 25763 1241 1 4 . 1 1 71 71 LYS CA C 71 57.100 57.100 56.611 0.489 25763 1242 1 4 . 1 1 71 71 LYS CB C 71 32.600 32.600 33.316 -0.716 25763 1243 1 4 . 1 1 71 71 LYS H H 71 8.260 8.260 8.206 0.054 25763 1244 1 4 . 1 1 72 72 LEU N N 72 121.600 121.600 124.025 -2.425 25763 1245 1 4 . 1 1 72 72 LEU CA C 72 55.300 55.300 53.668 1.632 25763 1246 1 4 . 1 1 72 72 LEU CB C 72 42.100 42.100 40.947 1.153 25763 1247 1 4 . 1 1 72 72 LEU H H 72 8.330 8.330 8.521 -0.191 25763 1248 1 4 . 1 1 73 73 ALA N N 73 123.900 123.900 124.512 -0.612 25763 1249 1 4 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.600 -0.190 25763 1250 1 4 . 1 1 73 73 ALA C C 73 177.900 177.900 177.176 0.724 25763 1251 1 4 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.973 0.527 25763 1252 1 4 . 1 1 73 73 ALA CB C 73 18.800 18.800 19.120 -0.321 25763 1253 1 4 . 1 1 73 73 ALA H H 73 8.250 8.250 7.710 0.540 25763 1254 1 4 . 1 1 74 74 THR N N 74 112.000 112.000 120.512 -8.512 25763 1255 1 4 . 1 1 74 74 THR HA H 74 4.400 4.400 4.473 -0.073 25763 1256 1 4 . 1 1 74 74 THR C C 74 175.200 175.200 173.950 1.250 25763 1257 1 4 . 1 1 74 74 THR CA C 74 61.700 61.700 62.413 -0.713 25763 1258 1 4 . 1 1 74 74 THR CB C 74 69.700 69.700 69.533 0.167 25763 1259 1 4 . 1 1 74 74 THR H H 74 8.160 8.160 8.236 -0.076 25763 1260 1 4 . 1 1 75 75 GLY N N 75 110.600 110.600 111.185 -0.585 25763 1261 1 4 . 1 1 75 75 GLY C C 75 174.100 174.100 173.248 0.852 25763 1262 1 4 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.643 -0.243 25763 1263 1 4 . 1 1 75 75 GLY H H 75 8.540 8.540 8.301 0.239 25763 1264 1 4 . 1 1 76 76 ARG N N 76 120.100 120.100 122.897 -2.797 25763 1265 1 4 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.154 0.216 25763 1266 1 4 . 1 1 76 76 ARG C C 76 176.600 176.600 175.034 1.566 25763 1267 1 4 . 1 1 76 76 ARG CA C 76 56.000 56.000 56.563 -0.563 25763 1268 1 4 . 1 1 76 76 ARG CB C 76 30.400 30.400 31.436 -1.036 25763 1269 1 4 . 1 1 76 76 ARG H H 76 8.340 8.340 8.607 -0.267 25763 1270 1 4 . 1 1 77 77 GLY N N 77 109.400 109.400 114.024 -4.624 25763 1271 1 4 . 1 1 77 77 GLY C C 77 173.800 173.800 173.516 0.284 25763 1272 1 4 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.133 -0.233 25763 1273 1 4 . 1 1 77 77 GLY H H 77 8.560 8.560 8.045 0.515 25763 1274 1 4 . 1 1 78 78 PHE N N 78 119.200 119.200 121.156 -1.956 25763 1275 1 4 . 1 1 78 78 PHE C C 78 175.500 175.500 176.952 -1.452 25763 1276 1 4 . 1 1 78 78 PHE CA C 78 57.800 57.800 58.905 -1.105 25763 1277 1 4 . 1 1 78 78 PHE CB C 78 39.300 39.300 39.483 -0.184 25763 1278 1 4 . 1 1 78 78 PHE H H 78 8.270 8.270 8.081 0.189 25763 1279 1 4 . 1 1 79 79 ASP N N 79 121.400 121.400 118.026 3.374 25763 1280 1 4 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.702 -0.072 25763 1281 1 4 . 1 1 79 79 ASP C C 79 175.000 175.000 176.122 -1.122 25763 1282 1 4 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.980 -0.680 25763 1283 1 4 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.787 -1.087 25763 1284 1 4 . 1 1 79 79 ASP H H 79 8.540 8.540 8.462 0.078 25763 1285 1 5 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.211 -8.711 25763 1286 1 5 . 1 1 2 2 PRO CB C 2 32.200 32.200 30.474 1.726 25763 1287 1 5 . 1 1 3 3 GLY N N 3 109.800 109.800 112.456 -2.656 25763 1288 1 5 . 1 1 3 3 GLY C C 3 174.100 174.100 173.251 0.849 25763 1289 1 5 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.837 0.263 25763 1290 1 5 . 1 1 3 3 GLY H H 3 8.800 8.800 8.478 0.322 25763 1291 1 5 . 1 1 4 4 SER N N 4 115.200 115.200 116.130 -0.930 25763 1292 1 5 . 1 1 4 4 SER HA H 4 4.510 4.510 4.838 -0.328 25763 1293 1 5 . 1 1 4 4 SER C C 4 174.400 174.400 174.876 -0.476 25763 1294 1 5 . 1 1 4 4 SER CA C 4 58.200 58.200 55.119 3.081 25763 1295 1 5 . 1 1 4 4 SER CB C 4 63.500 63.500 65.080 -1.580 25763 1296 1 5 . 1 1 4 4 SER H H 4 8.280 8.280 8.079 0.201 25763 1297 1 5 . 1 1 5 5 MET HA H 5 4.200 4.200 4.675 -0.475 25763 1298 1 5 . 1 1 5 5 MET C C 5 175.800 175.800 176.043 -0.243 25763 1299 1 5 . 1 1 5 5 MET CA C 5 61.900 61.900 55.014 6.886 25763 1300 1 5 . 1 1 5 5 MET CB C 5 32.900 32.900 32.644 0.256 25763 1301 1 5 . 1 1 6 6 SER N N 6 119.700 119.700 113.242 6.458 25763 1302 1 5 . 1 1 6 6 SER HA H 6 4.550 4.550 4.731 -0.181 25763 1303 1 5 . 1 1 6 6 SER C C 6 174.100 174.100 174.132 -0.032 25763 1304 1 5 . 1 1 6 6 SER CA C 6 57.700 57.700 56.575 1.125 25763 1305 1 5 . 1 1 6 6 SER CB C 6 63.500 63.500 65.299 -1.799 25763 1306 1 5 . 1 1 6 6 SER H H 6 8.530 8.530 7.643 0.887 25763 1307 1 5 . 1 1 7 7 ILE N N 7 122.400 122.400 119.084 3.316 25763 1308 1 5 . 1 1 7 7 ILE HA H 7 4.240 4.240 3.952 0.288 25763 1309 1 5 . 1 1 7 7 ILE CA C 7 60.500 60.500 62.537 -2.037 25763 1310 1 5 . 1 1 7 7 ILE CB C 7 38.800 38.800 37.892 0.908 25763 1311 1 5 . 1 1 7 7 ILE H H 7 8.360 8.360 8.265 0.095 25763 1312 1 5 . 1 1 8 8 ASN N N 8 123.600 123.600 119.528 4.072 25763 1313 1 5 . 1 1 8 8 ASN CA C 8 51.000 51.000 52.774 -1.774 25763 1314 1 5 . 1 1 8 8 ASN CB C 8 38.800 38.800 37.801 0.999 25763 1315 1 5 . 1 1 8 8 ASN H H 8 8.700 8.700 8.086 0.614 25763 1316 1 5 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.518 0.102 25763 1317 1 5 . 1 1 13 13 ASP C C 13 176.800 176.800 176.860 -0.060 25763 1318 1 5 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.489 -0.789 25763 1319 1 5 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.292 0.608 25763 1320 1 5 . 1 1 14 14 ASN N N 14 117.700 117.700 117.541 0.159 25763 1321 1 5 . 1 1 14 14 ASN C C 14 175.600 175.600 175.251 0.349 25763 1322 1 5 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.643 -0.343 25763 1323 1 5 . 1 1 14 14 ASN CB C 14 39.100 39.100 39.612 -0.512 25763 1324 1 5 . 1 1 14 14 ASN H H 14 8.720 8.720 7.827 0.893 25763 1325 1 5 . 1 1 15 15 GLY N N 15 107.500 107.500 110.207 -2.707 25763 1326 1 5 . 1 1 15 15 GLY C C 15 172.600 172.600 173.903 -1.303 25763 1327 1 5 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.331 0.769 25763 1328 1 5 . 1 1 15 15 GLY H H 15 8.160 8.160 7.771 0.389 25763 1329 1 5 . 1 1 16 16 SER N N 16 114.000 114.000 122.086 -8.086 25763 1330 1 5 . 1 1 16 16 SER HA H 16 4.710 4.710 4.367 0.343 25763 1331 1 5 . 1 1 16 16 SER C C 16 174.100 174.100 174.469 -0.369 25763 1332 1 5 . 1 1 16 16 SER CA C 16 57.300 57.300 58.221 -0.921 25763 1333 1 5 . 1 1 16 16 SER CB C 16 64.200 64.200 63.902 0.298 25763 1334 1 5 . 1 1 16 16 SER H H 16 7.780 7.780 8.226 -0.446 25763 1335 1 5 . 1 1 17 17 PHE N N 17 123.000 123.000 126.350 -3.350 25763 1336 1 5 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.106 -0.406 25763 1337 1 5 . 1 1 17 17 PHE CB C 17 46.000 46.000 38.753 7.247 25763 1338 1 5 . 1 1 17 17 PHE H H 17 9.570 9.570 7.807 1.763 25763 1339 1 5 . 1 1 18 18 PHE N N 18 114.900 114.900 125.045 -10.145 25763 1340 1 5 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.083 0.677 25763 1341 1 5 . 1 1 18 18 PHE C C 18 177.000 177.000 173.300 3.700 25763 1342 1 5 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.091 0.309 25763 1343 1 5 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.909 2.291 25763 1344 1 5 . 1 1 18 18 PHE H H 18 9.680 9.680 7.267 2.413 25763 1345 1 5 . 1 1 19 19 VAL N N 19 117.000 117.000 117.503 -0.503 25763 1346 1 5 . 1 1 19 19 VAL C C 19 175.000 175.000 173.562 1.438 25763 1347 1 5 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.294 1.107 25763 1348 1 5 . 1 1 19 19 VAL CB C 19 33.000 33.000 34.642 -1.641 25763 1349 1 5 . 1 1 19 19 VAL H H 19 8.720 8.720 9.017 -0.297 25763 1350 1 5 . 1 1 20 20 LEU N N 20 126.400 126.400 125.875 0.525 25763 1351 1 5 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.906 0.964 25763 1352 1 5 . 1 1 20 20 LEU C C 20 176.800 176.800 174.717 2.083 25763 1353 1 5 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.361 -1.361 25763 1354 1 5 . 1 1 20 20 LEU H H 20 9.490 9.490 8.905 0.585 25763 1355 1 5 . 1 1 21 21 VAL N N 21 114.200 114.200 126.373 -12.173 25763 1356 1 5 . 1 1 21 21 VAL HA H 21 5.740 5.740 4.929 0.811 25763 1357 1 5 . 1 1 21 21 VAL C C 21 174.600 174.600 175.341 -0.741 25763 1358 1 5 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.890 -1.790 25763 1359 1 5 . 1 1 21 21 VAL H H 21 9.210 9.210 9.149 0.061 25763 1360 1 5 . 1 1 22 22 ASN N N 22 121.000 121.000 126.317 -5.317 25763 1361 1 5 . 1 1 22 22 ASN C C 22 177.500 177.500 175.816 1.684 25763 1362 1 5 . 1 1 22 22 ASN CA C 22 49.600 49.600 53.084 -3.484 25763 1363 1 5 . 1 1 22 22 ASN H H 22 7.390 7.390 8.672 -1.282 25763 1364 1 5 . 1 1 23 23 ASP N N 23 117.600 117.600 120.925 -3.325 25763 1365 1 5 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.404 0.096 25763 1366 1 5 . 1 1 23 23 ASP C C 23 176.500 176.500 176.738 -0.238 25763 1367 1 5 . 1 1 23 23 ASP CA C 23 56.100 56.100 57.277 -1.177 25763 1368 1 5 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.074 -1.373 25763 1369 1 5 . 1 1 23 23 ASP H H 23 8.380 8.380 8.876 -0.496 25763 1370 1 5 . 1 1 24 24 GLU N N 24 117.900 117.900 117.885 0.015 25763 1371 1 5 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.379 0.061 25763 1372 1 5 . 1 1 24 24 GLU C C 24 175.100 175.100 175.178 -0.078 25763 1373 1 5 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.130 -0.730 25763 1374 1 5 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.756 0.344 25763 1375 1 5 . 1 1 24 24 GLU H H 24 7.300 7.300 8.205 -0.905 25763 1376 1 5 . 1 1 25 25 GLU N N 25 113.000 113.000 114.468 -1.468 25763 1377 1 5 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.921 -0.091 25763 1378 1 5 . 1 1 25 25 GLU C C 25 175.900 175.900 175.072 0.828 25763 1379 1 5 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.321 0.380 25763 1380 1 5 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.592 -1.092 25763 1381 1 5 . 1 1 25 25 GLU H H 25 8.120 8.120 7.945 0.175 25763 1382 1 5 . 1 1 26 26 GLN N N 26 117.100 117.100 118.933 -1.833 25763 1383 1 5 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.036 0.334 25763 1384 1 5 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.379 -1.779 25763 1385 1 5 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.371 0.029 25763 1386 1 5 . 1 1 26 26 GLN H H 26 7.770 7.770 7.502 0.268 25763 1387 1 5 . 1 1 27 27 HIS HA H 27 6.120 6.120 4.950 1.170 25763 1388 1 5 . 1 1 27 27 HIS C C 27 174.100 174.100 174.979 -0.879 25763 1389 1 5 . 1 1 27 27 HIS CA C 27 53.900 53.900 55.594 -1.694 25763 1390 1 5 . 1 1 28 28 SER N N 28 111.900 111.900 119.044 -7.144 25763 1391 1 5 . 1 1 28 28 SER C C 28 173.200 173.200 172.480 0.720 25763 1392 1 5 . 1 1 28 28 SER CA C 28 57.700 57.700 57.672 0.028 25763 1393 1 5 . 1 1 28 28 SER H H 28 8.830 8.830 9.153 -0.323 25763 1394 1 5 . 1 1 29 29 LEU N N 29 126.000 126.000 119.191 6.809 25763 1395 1 5 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.986 0.324 25763 1396 1 5 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.802 1.398 25763 1397 1 5 . 1 1 29 29 LEU H H 29 8.840 8.840 8.129 0.711 25763 1398 1 5 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.261 0.809 25763 1399 1 5 . 1 1 31 31 PRO C C 31 176.300 176.300 176.442 -0.142 25763 1400 1 5 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.759 -0.759 25763 1401 1 5 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.052 0.948 25763 1402 1 5 . 1 1 32 32 ALA N N 32 121.500 121.500 127.041 -5.541 25763 1403 1 5 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.708 0.152 25763 1404 1 5 . 1 1 32 32 ALA C C 32 177.600 177.600 177.956 -0.356 25763 1405 1 5 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.583 -0.083 25763 1406 1 5 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.034 -0.434 25763 1407 1 5 . 1 1 32 32 ALA H H 32 7.940 7.940 8.083 -0.143 25763 1408 1 5 . 1 1 33 33 PHE N N 33 111.800 111.800 117.262 -5.462 25763 1409 1 5 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.514 0.026 25763 1410 1 5 . 1 1 33 33 PHE C C 33 174.700 174.700 175.417 -0.717 25763 1411 1 5 . 1 1 33 33 PHE CA C 33 56.400 56.400 58.078 -1.678 25763 1412 1 5 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.059 -1.560 25763 1413 1 5 . 1 1 33 33 PHE H H 33 6.970 6.970 7.960 -0.990 25763 1414 1 5 . 1 1 34 34 ALA N N 34 125.700 125.700 122.228 3.472 25763 1415 1 5 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.628 0.002 25763 1416 1 5 . 1 1 34 34 ALA C C 34 177.700 177.700 175.748 1.952 25763 1417 1 5 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.451 -1.151 25763 1418 1 5 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.141 -0.941 25763 1419 1 5 . 1 1 34 34 ALA H H 34 7.080 7.080 7.776 -0.696 25763 1420 1 5 . 1 1 35 35 ASP N N 35 124.700 124.700 120.558 4.142 25763 1421 1 5 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.725 -0.225 25763 1422 1 5 . 1 1 35 35 ASP C C 35 176.400 176.400 176.410 -0.010 25763 1423 1 5 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.060 0.940 25763 1424 1 5 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.558 -1.458 25763 1425 1 5 . 1 1 35 35 ASP H H 35 8.960 8.960 8.392 0.568 25763 1426 1 5 . 1 1 36 36 VAL N N 36 125.800 125.800 124.357 1.443 25763 1427 1 5 . 1 1 36 36 VAL CA C 36 61.300 61.300 60.928 0.372 25763 1428 1 5 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.784 0.316 25763 1429 1 5 . 1 1 36 36 VAL H H 36 8.700 8.700 8.249 0.451 25763 1430 1 5 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.333 -0.063 25763 1431 1 5 . 1 1 37 37 PRO C C 37 175.600 175.600 175.822 -0.222 25763 1432 1 5 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.813 -0.714 25763 1433 1 5 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.237 -0.837 25763 1434 1 5 . 1 1 38 38 ALA N N 38 122.800 122.800 125.913 -3.113 25763 1435 1 5 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.013 0.217 25763 1436 1 5 . 1 1 38 38 ALA C C 38 179.100 179.100 178.357 0.743 25763 1437 1 5 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.733 0.467 25763 1438 1 5 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.212 -1.112 25763 1439 1 5 . 1 1 38 38 ALA H H 38 8.380 8.380 7.953 0.427 25763 1440 1 5 . 1 1 39 39 GLY N N 39 110.000 110.000 111.192 -1.192 25763 1441 1 5 . 1 1 39 39 GLY C C 39 173.800 173.800 174.381 -0.581 25763 1442 1 5 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.982 -0.382 25763 1443 1 5 . 1 1 39 39 GLY H H 39 8.880 8.880 8.373 0.507 25763 1444 1 5 . 1 1 40 40 TRP N N 40 120.300 120.300 120.172 0.128 25763 1445 1 5 . 1 1 40 40 TRP C C 40 174.800 174.800 175.641 -0.841 25763 1446 1 5 . 1 1 40 40 TRP CA C 40 56.100 56.100 56.034 0.066 25763 1447 1 5 . 1 1 40 40 TRP CB C 40 31.600 31.600 30.330 1.270 25763 1448 1 5 . 1 1 40 40 TRP H H 40 7.810 7.810 6.944 0.866 25763 1449 1 5 . 1 1 41 41 ARG N N 41 117.800 117.800 120.682 -2.882 25763 1450 1 5 . 1 1 41 41 ARG C C 41 174.700 174.700 174.233 0.467 25763 1451 1 5 . 1 1 41 41 ARG CA C 41 54.000 54.000 55.358 -1.357 25763 1452 1 5 . 1 1 41 41 ARG CB C 41 32.900 32.900 34.015 -1.115 25763 1453 1 5 . 1 1 41 41 ARG H H 41 9.260 9.260 8.990 0.270 25763 1454 1 5 . 1 1 42 42 VAL N N 42 122.400 122.400 126.889 -4.489 25763 1455 1 5 . 1 1 42 42 VAL HA H 42 4.090 4.090 3.935 0.155 25763 1456 1 5 . 1 1 42 42 VAL C C 42 177.900 177.900 175.588 2.312 25763 1457 1 5 . 1 1 42 42 VAL CA C 42 63.300 63.300 63.351 -0.051 25763 1458 1 5 . 1 1 42 42 VAL CB C 42 32.200 32.200 31.984 0.216 25763 1459 1 5 . 1 1 42 42 VAL H H 42 8.790 8.790 8.568 0.222 25763 1460 1 5 . 1 1 43 43 VAL N N 43 119.100 119.100 127.636 -8.536 25763 1461 1 5 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.158 0.632 25763 1462 1 5 . 1 1 43 43 VAL C C 43 174.700 174.700 174.966 -0.266 25763 1463 1 5 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.469 -1.869 25763 1464 1 5 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.829 0.871 25763 1465 1 5 . 1 1 43 43 VAL H H 43 9.140 9.140 8.521 0.619 25763 1466 1 5 . 1 1 44 44 HIS N N 44 119.200 119.200 117.099 2.101 25763 1467 1 5 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.657 -0.107 25763 1468 1 5 . 1 1 44 44 HIS C C 44 173.400 173.400 173.984 -0.584 25763 1469 1 5 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.179 2.221 25763 1470 1 5 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.118 -0.418 25763 1471 1 5 . 1 1 44 44 HIS H H 44 7.720 7.720 7.696 0.024 25763 1472 1 5 . 1 1 45 45 GLY N N 45 111.800 111.800 111.729 0.071 25763 1473 1 5 . 1 1 45 45 GLY C C 45 174.600 174.600 174.228 0.372 25763 1474 1 5 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.426 -2.326 25763 1475 1 5 . 1 1 45 45 GLY H H 45 7.680 7.680 8.180 -0.500 25763 1476 1 5 . 1 1 46 46 GLU N N 46 121.400 121.400 119.142 2.258 25763 1477 1 5 . 1 1 46 46 GLU HA H 46 4.190 4.190 4.146 0.044 25763 1478 1 5 . 1 1 46 46 GLU C C 46 175.200 175.200 175.716 -0.516 25763 1479 1 5 . 1 1 46 46 GLU CA C 46 57.000 57.000 58.109 -1.109 25763 1480 1 5 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.902 0.498 25763 1481 1 5 . 1 1 46 46 GLU H H 46 8.680 8.680 8.761 -0.081 25763 1482 1 5 . 1 1 47 47 ALA N N 47 126.700 126.700 127.848 -1.148 25763 1483 1 5 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.495 0.305 25763 1484 1 5 . 1 1 47 47 ALA C C 47 174.900 174.900 175.654 -0.754 25763 1485 1 5 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.354 -0.354 25763 1486 1 5 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.301 0.699 25763 1487 1 5 . 1 1 47 47 ALA H H 47 9.430 9.430 7.991 1.439 25763 1488 1 5 . 1 1 48 48 ASP N N 48 117.400 117.400 119.344 -1.944 25763 1489 1 5 . 1 1 48 48 ASP C C 48 175.800 175.800 177.564 -1.764 25763 1490 1 5 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.130 0.670 25763 1491 1 5 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.583 -1.683 25763 1492 1 5 . 1 1 48 48 ASP H H 48 8.560 8.560 8.341 0.219 25763 1493 1 5 . 1 1 49 49 ARG N N 49 121.500 121.500 120.840 0.660 25763 1494 1 5 . 1 1 49 49 ARG HA H 49 3.360 3.360 4.029 -0.669 25763 1495 1 5 . 1 1 49 49 ARG C C 49 179.000 179.000 177.908 1.092 25763 1496 1 5 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.019 1.881 25763 1497 1 5 . 1 1 49 49 ARG H H 49 9.310 9.310 8.727 0.583 25763 1498 1 5 . 1 1 50 50 ALA N N 50 119.000 119.000 121.054 -2.054 25763 1499 1 5 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.096 -0.026 25763 1500 1 5 . 1 1 50 50 ALA C C 50 180.500 180.500 179.439 1.061 25763 1501 1 5 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.962 0.239 25763 1502 1 5 . 1 1 50 50 ALA CB C 50 17.700 17.700 18.067 -0.367 25763 1503 1 5 . 1 1 50 50 ALA H H 50 8.620 8.620 8.393 0.227 25763 1504 1 5 . 1 1 51 51 ALA N N 51 121.700 121.700 120.415 1.285 25763 1505 1 5 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.323 0.007 25763 1506 1 5 . 1 1 51 51 ALA C C 51 182.300 182.300 179.457 2.843 25763 1507 1 5 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.306 0.294 25763 1508 1 5 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.311 0.488 25763 1509 1 5 . 1 1 51 51 ALA H H 51 8.340 8.340 7.843 0.497 25763 1510 1 5 . 1 1 52 52 CYS N N 52 117.900 117.900 118.772 -0.872 25763 1511 1 5 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.466 -0.326 25763 1512 1 5 . 1 1 52 52 CYS C C 52 176.800 176.800 177.428 -0.628 25763 1513 1 5 . 1 1 52 52 CYS CA C 52 64.500 64.500 64.434 0.066 25763 1514 1 5 . 1 1 52 52 CYS CB C 52 27.100 27.100 27.232 -0.132 25763 1515 1 5 . 1 1 52 52 CYS H H 52 8.300 8.300 8.104 0.196 25763 1516 1 5 . 1 1 53 53 LEU N N 53 120.600 120.600 118.051 2.549 25763 1517 1 5 . 1 1 53 53 LEU HA H 53 4.170 4.170 4.074 0.096 25763 1518 1 5 . 1 1 53 53 LEU C C 53 179.900 179.900 179.239 0.661 25763 1519 1 5 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.326 0.774 25763 1520 1 5 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.345 -0.845 25763 1521 1 5 . 1 1 53 53 LEU H H 53 8.780 8.780 8.628 0.152 25763 1522 1 5 . 1 1 54 54 GLU N N 54 120.600 120.600 120.383 0.217 25763 1523 1 5 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.900 0.220 25763 1524 1 5 . 1 1 54 54 GLU C C 54 178.300 178.300 178.056 0.244 25763 1525 1 5 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.273 0.027 25763 1526 1 5 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.547 -0.148 25763 1527 1 5 . 1 1 54 54 GLU H H 54 8.350 8.350 7.696 0.654 25763 1528 1 5 . 1 1 55 55 TYR N N 55 120.800 120.800 120.477 0.323 25763 1529 1 5 . 1 1 55 55 TYR HA H 55 4.150 4.150 3.642 0.508 25763 1530 1 5 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.133 0.567 25763 1531 1 5 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.362 -0.762 25763 1532 1 5 . 1 1 55 55 TYR H H 55 7.890 7.890 8.260 -0.370 25763 1533 1 5 . 1 1 56 56 ILE C C 56 176.700 176.700 177.392 -0.692 25763 1534 1 5 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.829 0.371 25763 1535 1 5 . 1 1 57 57 GLU N N 57 119.400 119.400 119.245 0.155 25763 1536 1 5 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.010 0.020 25763 1537 1 5 . 1 1 57 57 GLU C C 57 177.700 177.700 178.190 -0.490 25763 1538 1 5 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.760 -0.260 25763 1539 1 5 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.433 -0.533 25763 1540 1 5 . 1 1 57 57 GLU H H 57 8.290 8.290 7.492 0.798 25763 1541 1 5 . 1 1 58 58 GLU N N 58 115.000 115.000 117.315 -2.315 25763 1542 1 5 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.159 -0.279 25763 1543 1 5 . 1 1 58 58 GLU C C 58 177.600 177.600 175.774 1.826 25763 1544 1 5 . 1 1 58 58 GLU CA C 58 57.700 57.700 56.641 1.059 25763 1545 1 5 . 1 1 58 58 GLU CB C 58 29.400 29.400 29.343 0.057 25763 1546 1 5 . 1 1 58 58 GLU H H 58 7.780 7.780 7.938 -0.158 25763 1547 1 5 . 1 1 59 59 HIS N N 59 113.700 113.700 115.711 -2.011 25763 1548 1 5 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.696 1.704 25763 1549 1 5 . 1 1 59 59 HIS CB C 59 28.000 28.000 27.622 0.378 25763 1550 1 5 . 1 1 59 59 HIS H H 59 7.420 7.420 7.570 -0.150 25763 1551 1 5 . 1 1 63 63 ILE CB C 63 38.600 38.600 39.755 -1.155 25763 1552 1 5 . 1 1 68 68 LEU CA C 68 55.700 55.700 55.807 -0.107 25763 1553 1 5 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.583 -0.483 25763 1554 1 5 . 1 1 69 69 ARG N N 69 121.100 121.100 116.583 4.517 25763 1555 1 5 . 1 1 69 69 ARG H H 69 8.550 8.550 7.909 0.641 25763 1556 1 5 . 1 1 70 70 ASP C C 70 176.000 176.000 176.791 -0.791 25763 1557 1 5 . 1 1 70 70 ASP CA C 70 55.600 55.600 54.679 0.921 25763 1558 1 5 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.345 -0.345 25763 1559 1 5 . 1 1 71 71 LYS N N 71 121.200 121.200 124.362 -3.162 25763 1560 1 5 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.151 0.069 25763 1561 1 5 . 1 1 71 71 LYS C C 71 177.500 177.500 176.505 0.995 25763 1562 1 5 . 1 1 71 71 LYS CA C 71 57.100 57.100 56.976 0.124 25763 1563 1 5 . 1 1 71 71 LYS CB C 71 32.600 32.600 30.949 1.651 25763 1564 1 5 . 1 1 71 71 LYS H H 71 8.260 8.260 8.616 -0.356 25763 1565 1 5 . 1 1 72 72 LEU N N 72 121.600 121.600 120.520 1.080 25763 1566 1 5 . 1 1 72 72 LEU CA C 72 55.300 55.300 55.540 -0.240 25763 1567 1 5 . 1 1 72 72 LEU CB C 72 42.100 42.100 40.751 1.349 25763 1568 1 5 . 1 1 72 72 LEU H H 72 8.330 8.330 8.545 -0.215 25763 1569 1 5 . 1 1 73 73 ALA N N 73 123.900 123.900 121.492 2.408 25763 1570 1 5 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.674 -0.264 25763 1571 1 5 . 1 1 73 73 ALA C C 73 177.900 177.900 175.231 2.669 25763 1572 1 5 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.917 0.583 25763 1573 1 5 . 1 1 73 73 ALA CB C 73 18.800 18.800 21.569 -2.769 25763 1574 1 5 . 1 1 73 73 ALA H H 73 8.250 8.250 7.413 0.837 25763 1575 1 5 . 1 1 74 74 THR N N 74 112.000 112.000 114.452 -2.452 25763 1576 1 5 . 1 1 74 74 THR HA H 74 4.400 4.400 4.728 -0.328 25763 1577 1 5 . 1 1 74 74 THR C C 74 175.200 175.200 174.592 0.608 25763 1578 1 5 . 1 1 74 74 THR CA C 74 61.700 61.700 61.803 -0.103 25763 1579 1 5 . 1 1 74 74 THR CB C 74 69.700 69.700 70.497 -0.797 25763 1580 1 5 . 1 1 74 74 THR H H 74 8.160 8.160 8.049 0.111 25763 1581 1 5 . 1 1 75 75 GLY N N 75 110.600 110.600 113.807 -3.207 25763 1582 1 5 . 1 1 75 75 GLY C C 75 174.100 174.100 173.452 0.648 25763 1583 1 5 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.787 0.613 25763 1584 1 5 . 1 1 75 75 GLY H H 75 8.540 8.540 9.183 -0.643 25763 1585 1 5 . 1 1 76 76 ARG N N 76 120.100 120.100 122.319 -2.219 25763 1586 1 5 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.205 0.165 25763 1587 1 5 . 1 1 76 76 ARG C C 76 176.600 176.600 176.283 0.317 25763 1588 1 5 . 1 1 76 76 ARG CA C 76 56.000 56.000 56.315 -0.315 25763 1589 1 5 . 1 1 76 76 ARG CB C 76 30.400 30.400 29.762 0.638 25763 1590 1 5 . 1 1 76 76 ARG H H 76 8.340 8.340 7.891 0.449 25763 1591 1 5 . 1 1 77 77 GLY N N 77 109.400 109.400 116.180 -6.780 25763 1592 1 5 . 1 1 77 77 GLY C C 77 173.800 173.800 173.110 0.690 25763 1593 1 5 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.924 -0.024 25763 1594 1 5 . 1 1 77 77 GLY H H 77 8.560 8.560 8.500 0.060 25763 1595 1 5 . 1 1 78 78 PHE N N 78 119.200 119.200 119.990 -0.790 25763 1596 1 5 . 1 1 78 78 PHE C C 78 175.500 175.500 175.182 0.318 25763 1597 1 5 . 1 1 78 78 PHE CA C 78 57.800 57.800 56.740 1.060 25763 1598 1 5 . 1 1 78 78 PHE CB C 78 39.300 39.300 41.183 -1.883 25763 1599 1 5 . 1 1 78 78 PHE H H 78 8.270 8.270 7.047 1.223 25763 1600 1 5 . 1 1 79 79 ASP N N 79 121.400 121.400 120.422 0.978 25763 1601 1 5 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.494 0.136 25763 1602 1 5 . 1 1 79 79 ASP C C 79 175.000 175.000 177.128 -2.128 25763 1603 1 5 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.319 -0.019 25763 1604 1 5 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.085 -0.385 25763 1605 1 5 . 1 1 79 79 ASP H H 79 8.540 8.540 8.679 -0.139 25763 1606 1 6 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.587 -9.088 25763 1607 1 6 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.282 -0.082 25763 1608 1 6 . 1 1 3 3 GLY N N 3 109.800 109.800 112.115 -2.315 25763 1609 1 6 . 1 1 3 3 GLY C C 3 174.100 174.100 174.239 -0.139 25763 1610 1 6 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.316 0.784 25763 1611 1 6 . 1 1 3 3 GLY H H 3 8.800 8.800 8.525 0.275 25763 1612 1 6 . 1 1 4 4 SER N N 4 115.200 115.200 115.694 -0.494 25763 1613 1 6 . 1 1 4 4 SER HA H 4 4.510 4.510 4.538 -0.028 25763 1614 1 6 . 1 1 4 4 SER C C 4 174.400 174.400 175.086 -0.686 25763 1615 1 6 . 1 1 4 4 SER CA C 4 58.200 58.200 57.206 0.994 25763 1616 1 6 . 1 1 4 4 SER CB C 4 63.500 63.500 64.745 -1.245 25763 1617 1 6 . 1 1 4 4 SER H H 4 8.280 8.280 7.528 0.752 25763 1618 1 6 . 1 1 5 5 MET HA H 5 4.200 4.200 4.195 0.005 25763 1619 1 6 . 1 1 5 5 MET C C 5 175.800 175.800 175.656 0.144 25763 1620 1 6 . 1 1 5 5 MET CA C 5 61.900 61.900 58.314 3.586 25763 1621 1 6 . 1 1 5 5 MET CB C 5 32.900 32.900 32.873 0.027 25763 1622 1 6 . 1 1 6 6 SER N N 6 119.700 119.700 109.640 10.060 25763 1623 1 6 . 1 1 6 6 SER HA H 6 4.550 4.550 4.603 -0.053 25763 1624 1 6 . 1 1 6 6 SER C C 6 174.100 174.100 173.417 0.683 25763 1625 1 6 . 1 1 6 6 SER CA C 6 57.700 57.700 57.498 0.202 25763 1626 1 6 . 1 1 6 6 SER CB C 6 63.500 63.500 65.799 -2.299 25763 1627 1 6 . 1 1 6 6 SER H H 6 8.530 8.530 7.898 0.632 25763 1628 1 6 . 1 1 7 7 ILE N N 7 122.400 122.400 124.371 -1.971 25763 1629 1 6 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.204 0.036 25763 1630 1 6 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.311 0.189 25763 1631 1 6 . 1 1 7 7 ILE CB C 7 38.800 38.800 34.994 3.806 25763 1632 1 6 . 1 1 7 7 ILE H H 7 8.360 8.360 8.434 -0.074 25763 1633 1 6 . 1 1 8 8 ASN N N 8 123.600 123.600 125.407 -1.807 25763 1634 1 6 . 1 1 8 8 ASN CA C 8 51.000 51.000 51.071 -0.071 25763 1635 1 6 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.947 -0.147 25763 1636 1 6 . 1 1 8 8 ASN H H 8 8.700 8.700 7.661 1.039 25763 1637 1 6 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.501 0.119 25763 1638 1 6 . 1 1 13 13 ASP C C 13 176.800 176.800 176.791 0.009 25763 1639 1 6 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.361 -0.661 25763 1640 1 6 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.658 0.242 25763 1641 1 6 . 1 1 14 14 ASN N N 14 117.700 117.700 116.085 1.615 25763 1642 1 6 . 1 1 14 14 ASN C C 14 175.600 175.600 175.894 -0.294 25763 1643 1 6 . 1 1 14 14 ASN CA C 14 53.300 53.300 52.492 0.808 25763 1644 1 6 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.123 0.977 25763 1645 1 6 . 1 1 14 14 ASN H H 14 8.720 8.720 8.033 0.687 25763 1646 1 6 . 1 1 15 15 GLY N N 15 107.500 107.500 109.250 -1.750 25763 1647 1 6 . 1 1 15 15 GLY C C 15 172.600 172.600 174.619 -2.019 25763 1648 1 6 . 1 1 15 15 GLY CA C 15 45.100 45.100 45.702 -0.602 25763 1649 1 6 . 1 1 15 15 GLY H H 15 8.160 8.160 8.110 0.050 25763 1650 1 6 . 1 1 16 16 SER N N 16 114.000 114.000 122.028 -8.028 25763 1651 1 6 . 1 1 16 16 SER HA H 16 4.710 4.710 4.470 0.240 25763 1652 1 6 . 1 1 16 16 SER C C 16 174.100 174.100 172.662 1.438 25763 1653 1 6 . 1 1 16 16 SER CA C 16 57.300 57.300 58.586 -1.286 25763 1654 1 6 . 1 1 16 16 SER CB C 16 64.200 64.200 61.791 2.409 25763 1655 1 6 . 1 1 16 16 SER H H 16 7.780 7.780 8.169 -0.389 25763 1656 1 6 . 1 1 17 17 PHE N N 17 123.000 123.000 121.552 1.448 25763 1657 1 6 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.373 -0.673 25763 1658 1 6 . 1 1 17 17 PHE CB C 17 46.000 46.000 43.653 2.347 25763 1659 1 6 . 1 1 17 17 PHE H H 17 9.570 9.570 8.082 1.488 25763 1660 1 6 . 1 1 18 18 PHE N N 18 114.900 114.900 119.113 -4.213 25763 1661 1 6 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.385 0.375 25763 1662 1 6 . 1 1 18 18 PHE C C 18 177.000 177.000 172.825 4.175 25763 1663 1 6 . 1 1 18 18 PHE CA C 18 55.400 55.400 56.367 -0.967 25763 1664 1 6 . 1 1 18 18 PHE CB C 18 44.200 44.200 42.294 1.906 25763 1665 1 6 . 1 1 18 18 PHE H H 18 9.680 9.680 8.238 1.442 25763 1666 1 6 . 1 1 19 19 VAL N N 19 117.000 117.000 122.259 -5.259 25763 1667 1 6 . 1 1 19 19 VAL C C 19 175.000 175.000 173.479 1.521 25763 1668 1 6 . 1 1 19 19 VAL CA C 19 62.400 62.400 62.120 0.280 25763 1669 1 6 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.567 -2.567 25763 1670 1 6 . 1 1 19 19 VAL H H 19 8.720 8.720 9.042 -0.322 25763 1671 1 6 . 1 1 20 20 LEU N N 20 126.400 126.400 129.132 -2.732 25763 1672 1 6 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.461 1.409 25763 1673 1 6 . 1 1 20 20 LEU C C 20 176.800 176.800 174.317 2.483 25763 1674 1 6 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.595 -1.595 25763 1675 1 6 . 1 1 20 20 LEU H H 20 9.490 9.490 9.011 0.479 25763 1676 1 6 . 1 1 21 21 VAL N N 21 114.200 114.200 127.905 -13.705 25763 1677 1 6 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.050 0.690 25763 1678 1 6 . 1 1 21 21 VAL C C 21 174.600 174.600 175.003 -0.403 25763 1679 1 6 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.371 -1.271 25763 1680 1 6 . 1 1 21 21 VAL H H 21 9.210 9.210 9.024 0.186 25763 1681 1 6 . 1 1 22 22 ASN N N 22 121.000 121.000 125.548 -4.548 25763 1682 1 6 . 1 1 22 22 ASN C C 22 177.500 177.500 175.566 1.934 25763 1683 1 6 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.537 -2.937 25763 1684 1 6 . 1 1 22 22 ASN H H 22 7.390 7.390 8.724 -1.334 25763 1685 1 6 . 1 1 23 23 ASP N N 23 117.600 117.600 121.980 -4.380 25763 1686 1 6 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.466 0.034 25763 1687 1 6 . 1 1 23 23 ASP C C 23 176.500 176.500 176.387 0.113 25763 1688 1 6 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.536 -0.436 25763 1689 1 6 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.175 -1.475 25763 1690 1 6 . 1 1 23 23 ASP H H 23 8.380 8.380 9.185 -0.805 25763 1691 1 6 . 1 1 24 24 GLU N N 24 117.900 117.900 117.443 0.457 25763 1692 1 6 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.272 0.168 25763 1693 1 6 . 1 1 24 24 GLU C C 24 175.100 175.100 176.052 -0.952 25763 1694 1 6 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.549 -1.149 25763 1695 1 6 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.864 0.236 25763 1696 1 6 . 1 1 24 24 GLU H H 24 7.300 7.300 8.319 -1.019 25763 1697 1 6 . 1 1 25 25 GLU N N 25 113.000 113.000 114.111 -1.111 25763 1698 1 6 . 1 1 25 25 GLU HA H 25 3.830 3.830 4.006 -0.176 25763 1699 1 6 . 1 1 25 25 GLU C C 25 175.900 175.900 175.237 0.663 25763 1700 1 6 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.531 0.169 25763 1701 1 6 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.783 -1.283 25763 1702 1 6 . 1 1 25 25 GLU H H 25 8.120 8.120 8.078 0.042 25763 1703 1 6 . 1 1 26 26 GLN N N 26 117.100 117.100 118.616 -1.516 25763 1704 1 6 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.099 0.271 25763 1705 1 6 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.208 -1.608 25763 1706 1 6 . 1 1 26 26 GLN CB C 26 29.400 29.400 28.569 0.831 25763 1707 1 6 . 1 1 26 26 GLN H H 26 7.770 7.770 8.152 -0.382 25763 1708 1 6 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.271 0.849 25763 1709 1 6 . 1 1 27 27 HIS C C 27 174.100 174.100 173.636 0.464 25763 1710 1 6 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.684 0.216 25763 1711 1 6 . 1 1 28 28 SER N N 28 111.900 111.900 118.198 -6.298 25763 1712 1 6 . 1 1 28 28 SER C C 28 173.200 173.200 172.813 0.387 25763 1713 1 6 . 1 1 28 28 SER CA C 28 57.700 57.700 57.018 0.682 25763 1714 1 6 . 1 1 28 28 SER H H 28 8.830 8.830 8.610 0.220 25763 1715 1 6 . 1 1 29 29 LEU N N 29 126.000 126.000 119.443 6.557 25763 1716 1 6 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.223 1.087 25763 1717 1 6 . 1 1 29 29 LEU CA C 29 55.200 55.200 54.642 0.558 25763 1718 1 6 . 1 1 29 29 LEU H H 29 8.840 8.840 8.246 0.594 25763 1719 1 6 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.492 0.578 25763 1720 1 6 . 1 1 31 31 PRO C C 31 176.300 176.300 176.227 0.073 25763 1721 1 6 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.608 -0.608 25763 1722 1 6 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.553 1.447 25763 1723 1 6 . 1 1 32 32 ALA N N 32 121.500 121.500 125.395 -3.895 25763 1724 1 6 . 1 1 32 32 ALA HA H 32 3.860 3.860 2.830 1.030 25763 1725 1 6 . 1 1 32 32 ALA C C 32 177.600 177.600 177.032 0.568 25763 1726 1 6 . 1 1 32 32 ALA CA C 32 53.500 53.500 52.452 1.048 25763 1727 1 6 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.015 -0.415 25763 1728 1 6 . 1 1 32 32 ALA H H 32 7.940 7.940 7.444 0.496 25763 1729 1 6 . 1 1 33 33 PHE N N 33 111.800 111.800 116.177 -4.377 25763 1730 1 6 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.354 0.186 25763 1731 1 6 . 1 1 33 33 PHE C C 33 174.700 174.700 175.290 -0.590 25763 1732 1 6 . 1 1 33 33 PHE CA C 33 56.400 56.400 58.241 -1.841 25763 1733 1 6 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.801 -1.301 25763 1734 1 6 . 1 1 33 33 PHE H H 33 6.970 6.970 7.723 -0.753 25763 1735 1 6 . 1 1 34 34 ALA N N 34 125.700 125.700 121.914 3.786 25763 1736 1 6 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.597 0.033 25763 1737 1 6 . 1 1 34 34 ALA C C 34 177.700 177.700 175.059 2.641 25763 1738 1 6 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.392 -1.092 25763 1739 1 6 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.300 -1.100 25763 1740 1 6 . 1 1 34 34 ALA H H 34 7.080 7.080 7.411 -0.331 25763 1741 1 6 . 1 1 35 35 ASP N N 35 124.700 124.700 119.305 5.395 25763 1742 1 6 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.817 -0.317 25763 1743 1 6 . 1 1 35 35 ASP C C 35 176.400 176.400 176.498 -0.098 25763 1744 1 6 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.636 1.364 25763 1745 1 6 . 1 1 35 35 ASP CB C 35 40.100 40.100 42.154 -2.054 25763 1746 1 6 . 1 1 35 35 ASP H H 35 8.960 8.960 8.426 0.534 25763 1747 1 6 . 1 1 36 36 VAL N N 36 125.800 125.800 125.022 0.778 25763 1748 1 6 . 1 1 36 36 VAL CA C 36 61.300 61.300 61.371 -0.071 25763 1749 1 6 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.572 0.528 25763 1750 1 6 . 1 1 36 36 VAL H H 36 8.700 8.700 8.318 0.382 25763 1751 1 6 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.335 -0.065 25763 1752 1 6 . 1 1 37 37 PRO C C 37 175.600 175.600 175.974 -0.374 25763 1753 1 6 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.968 -0.868 25763 1754 1 6 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.353 -0.953 25763 1755 1 6 . 1 1 38 38 ALA N N 38 122.800 122.800 125.982 -3.182 25763 1756 1 6 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.008 0.222 25763 1757 1 6 . 1 1 38 38 ALA C C 38 179.100 179.100 178.061 1.039 25763 1758 1 6 . 1 1 38 38 ALA CA C 38 53.200 53.200 53.511 -0.312 25763 1759 1 6 . 1 1 38 38 ALA CB C 38 18.100 18.100 18.604 -0.504 25763 1760 1 6 . 1 1 38 38 ALA H H 38 8.380 8.380 8.259 0.121 25763 1761 1 6 . 1 1 39 39 GLY N N 39 110.000 110.000 111.823 -1.823 25763 1762 1 6 . 1 1 39 39 GLY C C 39 173.800 173.800 174.183 -0.383 25763 1763 1 6 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.355 0.245 25763 1764 1 6 . 1 1 39 39 GLY H H 39 8.880 8.880 8.278 0.602 25763 1765 1 6 . 1 1 40 40 TRP N N 40 120.300 120.300 120.976 -0.676 25763 1766 1 6 . 1 1 40 40 TRP C C 40 174.800 174.800 175.694 -0.894 25763 1767 1 6 . 1 1 40 40 TRP CA C 40 56.100 56.100 55.914 0.186 25763 1768 1 6 . 1 1 40 40 TRP CB C 40 31.600 31.600 30.306 1.294 25763 1769 1 6 . 1 1 40 40 TRP H H 40 7.810 7.810 7.324 0.486 25763 1770 1 6 . 1 1 41 41 ARG N N 41 117.800 117.800 120.636 -2.836 25763 1771 1 6 . 1 1 41 41 ARG C C 41 174.700 174.700 174.552 0.148 25763 1772 1 6 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.262 -0.262 25763 1773 1 6 . 1 1 41 41 ARG CB C 41 32.900 32.900 32.534 0.366 25763 1774 1 6 . 1 1 41 41 ARG H H 41 9.260 9.260 9.083 0.177 25763 1775 1 6 . 1 1 42 42 VAL N N 42 122.400 122.400 124.989 -2.589 25763 1776 1 6 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.004 0.086 25763 1777 1 6 . 1 1 42 42 VAL C C 42 177.900 177.900 176.023 1.877 25763 1778 1 6 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.736 0.564 25763 1779 1 6 . 1 1 42 42 VAL CB C 42 32.200 32.200 31.418 0.782 25763 1780 1 6 . 1 1 42 42 VAL H H 42 8.790 8.790 8.552 0.238 25763 1781 1 6 . 1 1 43 43 VAL N N 43 119.100 119.100 127.357 -8.257 25763 1782 1 6 . 1 1 43 43 VAL HA H 43 4.790 4.790 3.922 0.868 25763 1783 1 6 . 1 1 43 43 VAL C C 43 174.700 174.700 174.704 -0.004 25763 1784 1 6 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.902 -2.302 25763 1785 1 6 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.968 0.732 25763 1786 1 6 . 1 1 43 43 VAL H H 43 9.140 9.140 8.524 0.616 25763 1787 1 6 . 1 1 44 44 HIS N N 44 119.200 119.200 116.680 2.520 25763 1788 1 6 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.827 -0.277 25763 1789 1 6 . 1 1 44 44 HIS C C 44 173.400 173.400 174.691 -1.291 25763 1790 1 6 . 1 1 44 44 HIS CA C 44 57.400 57.400 54.456 2.944 25763 1791 1 6 . 1 1 44 44 HIS CB C 44 32.700 32.700 32.308 0.392 25763 1792 1 6 . 1 1 44 44 HIS H H 44 7.720 7.720 7.487 0.233 25763 1793 1 6 . 1 1 45 45 GLY N N 45 111.800 111.800 111.744 0.056 25763 1794 1 6 . 1 1 45 45 GLY C C 45 174.600 174.600 174.468 0.132 25763 1795 1 6 . 1 1 45 45 GLY CA C 45 42.100 42.100 45.213 -3.113 25763 1796 1 6 . 1 1 45 45 GLY H H 45 7.680 7.680 8.804 -1.124 25763 1797 1 6 . 1 1 46 46 GLU N N 46 121.400 121.400 120.184 1.216 25763 1798 1 6 . 1 1 46 46 GLU HA H 46 4.190 4.190 4.461 -0.271 25763 1799 1 6 . 1 1 46 46 GLU C C 46 175.200 175.200 175.930 -0.730 25763 1800 1 6 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.792 -0.792 25763 1801 1 6 . 1 1 46 46 GLU CB C 46 30.400 30.400 30.322 0.078 25763 1802 1 6 . 1 1 46 46 GLU H H 46 8.680 8.680 8.814 -0.134 25763 1803 1 6 . 1 1 47 47 ALA N N 47 126.700 126.700 128.135 -1.435 25763 1804 1 6 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.556 0.244 25763 1805 1 6 . 1 1 47 47 ALA C C 47 174.900 174.900 176.064 -1.164 25763 1806 1 6 . 1 1 47 47 ALA CA C 47 51.000 51.000 50.948 0.052 25763 1807 1 6 . 1 1 47 47 ALA CB C 47 22.000 22.000 20.674 1.326 25763 1808 1 6 . 1 1 47 47 ALA H H 47 9.430 9.430 7.866 1.564 25763 1809 1 6 . 1 1 48 48 ASP N N 48 117.400 117.400 119.699 -2.299 25763 1810 1 6 . 1 1 48 48 ASP C C 48 175.800 175.800 177.534 -1.734 25763 1811 1 6 . 1 1 48 48 ASP CA C 48 53.800 53.800 54.727 -0.927 25763 1812 1 6 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.503 -0.603 25763 1813 1 6 . 1 1 48 48 ASP H H 48 8.560 8.560 8.278 0.282 25763 1814 1 6 . 1 1 49 49 ARG N N 49 121.500 121.500 123.036 -1.536 25763 1815 1 6 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.797 -0.437 25763 1816 1 6 . 1 1 49 49 ARG C C 49 179.000 179.000 178.192 0.808 25763 1817 1 6 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.779 1.121 25763 1818 1 6 . 1 1 49 49 ARG H H 49 9.310 9.310 8.713 0.597 25763 1819 1 6 . 1 1 50 50 ALA N N 50 119.000 119.000 119.745 -0.745 25763 1820 1 6 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.167 -0.097 25763 1821 1 6 . 1 1 50 50 ALA C C 50 180.500 180.500 179.431 1.069 25763 1822 1 6 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.703 0.497 25763 1823 1 6 . 1 1 50 50 ALA CB C 50 17.700 17.700 18.028 -0.328 25763 1824 1 6 . 1 1 50 50 ALA H H 50 8.620 8.620 8.542 0.078 25763 1825 1 6 . 1 1 51 51 ALA N N 51 121.700 121.700 120.856 0.844 25763 1826 1 6 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.077 0.253 25763 1827 1 6 . 1 1 51 51 ALA C C 51 182.300 182.300 179.414 2.886 25763 1828 1 6 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.744 -0.144 25763 1829 1 6 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.542 0.258 25763 1830 1 6 . 1 1 51 51 ALA H H 51 8.340 8.340 7.921 0.419 25763 1831 1 6 . 1 1 52 52 CYS N N 52 117.900 117.900 115.792 2.108 25763 1832 1 6 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.409 -0.269 25763 1833 1 6 . 1 1 52 52 CYS C C 52 176.800 176.800 176.889 -0.089 25763 1834 1 6 . 1 1 52 52 CYS CA C 52 64.500 64.500 61.982 2.518 25763 1835 1 6 . 1 1 52 52 CYS CB C 52 27.100 27.100 27.818 -0.718 25763 1836 1 6 . 1 1 52 52 CYS H H 52 8.300 8.300 8.242 0.058 25763 1837 1 6 . 1 1 53 53 LEU N N 53 120.600 120.600 121.269 -0.669 25763 1838 1 6 . 1 1 53 53 LEU HA H 53 4.170 4.170 4.043 0.127 25763 1839 1 6 . 1 1 53 53 LEU C C 53 179.900 179.900 179.271 0.629 25763 1840 1 6 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.508 0.592 25763 1841 1 6 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.546 -1.046 25763 1842 1 6 . 1 1 53 53 LEU H H 53 8.780 8.780 8.355 0.425 25763 1843 1 6 . 1 1 54 54 GLU N N 54 120.600 120.600 119.330 1.270 25763 1844 1 6 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.101 0.019 25763 1845 1 6 . 1 1 54 54 GLU C C 54 178.300 178.300 178.247 0.053 25763 1846 1 6 . 1 1 54 54 GLU CA C 54 59.300 59.300 58.472 0.828 25763 1847 1 6 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.158 0.242 25763 1848 1 6 . 1 1 54 54 GLU H H 54 8.350 8.350 8.038 0.312 25763 1849 1 6 . 1 1 55 55 TYR N N 55 120.800 120.800 122.112 -1.312 25763 1850 1 6 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.248 -0.098 25763 1851 1 6 . 1 1 55 55 TYR CA C 55 61.700 61.700 60.939 0.761 25763 1852 1 6 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.168 -0.568 25763 1853 1 6 . 1 1 55 55 TYR H H 55 7.890 7.890 7.954 -0.064 25763 1854 1 6 . 1 1 56 56 ILE C C 56 176.700 176.700 177.423 -0.723 25763 1855 1 6 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.843 0.357 25763 1856 1 6 . 1 1 57 57 GLU N N 57 119.400 119.400 118.784 0.616 25763 1857 1 6 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.023 0.007 25763 1858 1 6 . 1 1 57 57 GLU C C 57 177.700 177.700 178.230 -0.530 25763 1859 1 6 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.642 -0.142 25763 1860 1 6 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.634 -0.735 25763 1861 1 6 . 1 1 57 57 GLU H H 57 8.290 8.290 7.656 0.634 25763 1862 1 6 . 1 1 58 58 GLU N N 58 115.000 115.000 119.410 -4.410 25763 1863 1 6 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.037 -0.157 25763 1864 1 6 . 1 1 58 58 GLU C C 58 177.600 177.600 176.890 0.710 25763 1865 1 6 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.464 0.236 25763 1866 1 6 . 1 1 58 58 GLU CB C 58 29.400 29.400 29.671 -0.271 25763 1867 1 6 . 1 1 58 58 GLU H H 58 7.780 7.780 7.909 -0.129 25763 1868 1 6 . 1 1 59 59 HIS N N 59 113.700 113.700 115.422 -1.722 25763 1869 1 6 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.824 1.576 25763 1870 1 6 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.795 -0.795 25763 1871 1 6 . 1 1 59 59 HIS H H 59 7.420 7.420 7.853 -0.433 25763 1872 1 6 . 1 1 63 63 ILE CB C 63 38.600 38.600 38.209 0.391 25763 1873 1 6 . 1 1 68 68 LEU CA C 68 55.700 55.700 54.257 1.443 25763 1874 1 6 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.861 -0.762 25763 1875 1 6 . 1 1 69 69 ARG N N 69 121.100 121.100 120.496 0.604 25763 1876 1 6 . 1 1 69 69 ARG H H 69 8.550 8.550 8.503 0.047 25763 1877 1 6 . 1 1 70 70 ASP C C 70 176.000 176.000 176.366 -0.366 25763 1878 1 6 . 1 1 70 70 ASP CA C 70 55.600 55.600 53.682 1.918 25763 1879 1 6 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.594 -0.594 25763 1880 1 6 . 1 1 71 71 LYS N N 71 121.200 121.200 118.953 2.247 25763 1881 1 6 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.289 -0.069 25763 1882 1 6 . 1 1 71 71 LYS C C 71 177.500 177.500 177.338 0.162 25763 1883 1 6 . 1 1 71 71 LYS CA C 71 57.100 57.100 57.000 0.100 25763 1884 1 6 . 1 1 71 71 LYS CB C 71 32.600 32.600 32.731 -0.131 25763 1885 1 6 . 1 1 71 71 LYS H H 71 8.260 8.260 8.299 -0.039 25763 1886 1 6 . 1 1 72 72 LEU N N 72 121.600 121.600 120.481 1.119 25763 1887 1 6 . 1 1 72 72 LEU CA C 72 55.300 55.300 56.024 -0.724 25763 1888 1 6 . 1 1 72 72 LEU CB C 72 42.100 42.100 42.986 -0.886 25763 1889 1 6 . 1 1 72 72 LEU H H 72 8.330 8.330 8.109 0.221 25763 1890 1 6 . 1 1 73 73 ALA N N 73 123.900 123.900 118.777 5.123 25763 1891 1 6 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.032 0.378 25763 1892 1 6 . 1 1 73 73 ALA C C 73 177.900 177.900 176.900 1.000 25763 1893 1 6 . 1 1 73 73 ALA CA C 73 52.500 52.500 53.210 -0.710 25763 1894 1 6 . 1 1 73 73 ALA CB C 73 18.800 18.800 17.097 1.703 25763 1895 1 6 . 1 1 73 73 ALA H H 73 8.250 8.250 8.388 -0.138 25763 1896 1 6 . 1 1 74 74 THR N N 74 112.000 112.000 114.897 -2.897 25763 1897 1 6 . 1 1 74 74 THR HA H 74 4.400 4.400 4.301 0.099 25763 1898 1 6 . 1 1 74 74 THR C C 74 175.200 175.200 174.465 0.735 25763 1899 1 6 . 1 1 74 74 THR CA C 74 61.700 61.700 63.373 -1.673 25763 1900 1 6 . 1 1 74 74 THR CB C 74 69.700 69.700 68.127 1.572 25763 1901 1 6 . 1 1 74 74 THR H H 74 8.160 8.160 8.155 0.005 25763 1902 1 6 . 1 1 75 75 GLY N N 75 110.600 110.600 114.974 -4.374 25763 1903 1 6 . 1 1 75 75 GLY C C 75 174.100 174.100 173.017 1.083 25763 1904 1 6 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.444 -0.043 25763 1905 1 6 . 1 1 75 75 GLY H H 75 8.540 8.540 8.139 0.401 25763 1906 1 6 . 1 1 76 76 ARG N N 76 120.100 120.100 122.720 -2.620 25763 1907 1 6 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.901 -0.531 25763 1908 1 6 . 1 1 76 76 ARG C C 76 176.600 176.600 175.880 0.720 25763 1909 1 6 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.745 0.255 25763 1910 1 6 . 1 1 76 76 ARG CB C 76 30.400 30.400 32.286 -1.886 25763 1911 1 6 . 1 1 76 76 ARG H H 76 8.340 8.340 8.926 -0.586 25763 1912 1 6 . 1 1 77 77 GLY N N 77 109.400 109.400 111.567 -2.167 25763 1913 1 6 . 1 1 77 77 GLY C C 77 173.800 173.800 173.223 0.577 25763 1914 1 6 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.545 0.355 25763 1915 1 6 . 1 1 77 77 GLY H H 77 8.560 8.560 8.717 -0.157 25763 1916 1 6 . 1 1 78 78 PHE N N 78 119.200 119.200 117.306 1.894 25763 1917 1 6 . 1 1 78 78 PHE C C 78 175.500 175.500 173.750 1.750 25763 1918 1 6 . 1 1 78 78 PHE CA C 78 57.800 57.800 56.682 1.118 25763 1919 1 6 . 1 1 78 78 PHE CB C 78 39.300 39.300 41.496 -2.196 25763 1920 1 6 . 1 1 78 78 PHE H H 78 8.270 8.270 8.554 -0.284 25763 1921 1 6 . 1 1 79 79 ASP N N 79 121.400 121.400 121.540 -0.140 25763 1922 1 6 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.880 -0.250 25763 1923 1 6 . 1 1 79 79 ASP C C 79 175.000 175.000 174.411 0.589 25763 1924 1 6 . 1 1 79 79 ASP CA C 79 54.300 54.300 53.842 0.458 25763 1925 1 6 . 1 1 79 79 ASP CB C 79 40.700 40.700 43.050 -2.350 25763 1926 1 6 . 1 1 79 79 ASP H H 79 8.540 8.540 9.104 -0.564 25763 1927 1 7 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.049 -8.549 25763 1928 1 7 . 1 1 2 2 PRO CB C 2 32.200 32.200 31.489 0.711 25763 1929 1 7 . 1 1 3 3 GLY N N 3 109.800 109.800 110.025 -0.225 25763 1930 1 7 . 1 1 3 3 GLY C C 3 174.100 174.100 173.598 0.502 25763 1931 1 7 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.232 0.868 25763 1932 1 7 . 1 1 3 3 GLY H H 3 8.800 8.800 7.729 1.071 25763 1933 1 7 . 1 1 4 4 SER N N 4 115.200 115.200 120.140 -4.940 25763 1934 1 7 . 1 1 4 4 SER HA H 4 4.510 4.510 4.324 0.186 25763 1935 1 7 . 1 1 4 4 SER C C 4 174.400 174.400 175.157 -0.757 25763 1936 1 7 . 1 1 4 4 SER CA C 4 58.200 58.200 58.856 -0.656 25763 1937 1 7 . 1 1 4 4 SER CB C 4 63.500 63.500 64.227 -0.727 25763 1938 1 7 . 1 1 4 4 SER H H 4 8.280 8.280 8.438 -0.158 25763 1939 1 7 . 1 1 5 5 MET HA H 5 4.200 4.200 4.288 -0.088 25763 1940 1 7 . 1 1 5 5 MET C C 5 175.800 175.800 176.257 -0.457 25763 1941 1 7 . 1 1 5 5 MET CA C 5 61.900 61.900 57.264 4.636 25763 1942 1 7 . 1 1 5 5 MET CB C 5 32.900 32.900 32.623 0.278 25763 1943 1 7 . 1 1 6 6 SER N N 6 119.700 119.700 114.625 5.075 25763 1944 1 7 . 1 1 6 6 SER HA H 6 4.550 4.550 4.504 0.046 25763 1945 1 7 . 1 1 6 6 SER C C 6 174.100 174.100 174.464 -0.364 25763 1946 1 7 . 1 1 6 6 SER CA C 6 57.700 57.700 58.193 -0.492 25763 1947 1 7 . 1 1 6 6 SER CB C 6 63.500 63.500 63.499 0.001 25763 1948 1 7 . 1 1 6 6 SER H H 6 8.530 8.530 7.918 0.612 25763 1949 1 7 . 1 1 7 7 ILE N N 7 122.400 122.400 121.690 0.710 25763 1950 1 7 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.020 0.220 25763 1951 1 7 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.158 -0.658 25763 1952 1 7 . 1 1 7 7 ILE CB C 7 38.800 38.800 35.092 3.708 25763 1953 1 7 . 1 1 7 7 ILE H H 7 8.360 8.360 8.376 -0.016 25763 1954 1 7 . 1 1 8 8 ASN N N 8 123.600 123.600 127.799 -4.199 25763 1955 1 7 . 1 1 8 8 ASN CA C 8 51.000 51.000 50.465 0.535 25763 1956 1 7 . 1 1 8 8 ASN CB C 8 38.800 38.800 41.281 -2.481 25763 1957 1 7 . 1 1 8 8 ASN H H 8 8.700 8.700 8.045 0.655 25763 1958 1 7 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.508 0.112 25763 1959 1 7 . 1 1 13 13 ASP C C 13 176.800 176.800 176.877 -0.077 25763 1960 1 7 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.244 -0.544 25763 1961 1 7 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.928 -0.028 25763 1962 1 7 . 1 1 14 14 ASN N N 14 117.700 117.700 117.676 0.024 25763 1963 1 7 . 1 1 14 14 ASN C C 14 175.600 175.600 175.589 0.011 25763 1964 1 7 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.331 -0.031 25763 1965 1 7 . 1 1 14 14 ASN CB C 14 39.100 39.100 37.512 1.588 25763 1966 1 7 . 1 1 14 14 ASN H H 14 8.720 8.720 8.405 0.315 25763 1967 1 7 . 1 1 15 15 GLY N N 15 107.500 107.500 108.345 -0.845 25763 1968 1 7 . 1 1 15 15 GLY C C 15 172.600 172.600 174.199 -1.599 25763 1969 1 7 . 1 1 15 15 GLY CA C 15 45.100 45.100 45.234 -0.134 25763 1970 1 7 . 1 1 15 15 GLY H H 15 8.160 8.160 7.482 0.678 25763 1971 1 7 . 1 1 16 16 SER N N 16 114.000 114.000 121.029 -7.029 25763 1972 1 7 . 1 1 16 16 SER HA H 16 4.710 4.710 3.904 0.806 25763 1973 1 7 . 1 1 16 16 SER C C 16 174.100 174.100 174.792 -0.692 25763 1974 1 7 . 1 1 16 16 SER CA C 16 57.300 57.300 60.530 -3.230 25763 1975 1 7 . 1 1 16 16 SER CB C 16 64.200 64.200 63.304 0.896 25763 1976 1 7 . 1 1 16 16 SER H H 16 7.780 7.780 7.866 -0.086 25763 1977 1 7 . 1 1 17 17 PHE N N 17 123.000 123.000 121.495 1.505 25763 1978 1 7 . 1 1 17 17 PHE CA C 17 57.700 57.700 59.160 -1.460 25763 1979 1 7 . 1 1 17 17 PHE CB C 17 46.000 46.000 39.688 6.311 25763 1980 1 7 . 1 1 17 17 PHE H H 17 9.570 9.570 7.610 1.960 25763 1981 1 7 . 1 1 18 18 PHE N N 18 114.900 114.900 115.106 -0.206 25763 1982 1 7 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.925 0.835 25763 1983 1 7 . 1 1 18 18 PHE C C 18 177.000 177.000 173.809 3.191 25763 1984 1 7 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.289 0.111 25763 1985 1 7 . 1 1 18 18 PHE CB C 18 44.200 44.200 40.928 3.272 25763 1986 1 7 . 1 1 18 18 PHE H H 18 9.680 9.680 6.597 3.083 25763 1987 1 7 . 1 1 19 19 VAL N N 19 117.000 117.000 117.536 -0.536 25763 1988 1 7 . 1 1 19 19 VAL C C 19 175.000 175.000 173.624 1.376 25763 1989 1 7 . 1 1 19 19 VAL CA C 19 62.400 62.400 60.881 1.519 25763 1990 1 7 . 1 1 19 19 VAL CB C 19 33.000 33.000 34.669 -1.669 25763 1991 1 7 . 1 1 19 19 VAL H H 19 8.720 8.720 9.068 -0.348 25763 1992 1 7 . 1 1 20 20 LEU N N 20 126.400 126.400 127.636 -1.236 25763 1993 1 7 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.761 1.109 25763 1994 1 7 . 1 1 20 20 LEU C C 20 176.800 176.800 174.735 2.065 25763 1995 1 7 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.496 -1.496 25763 1996 1 7 . 1 1 20 20 LEU H H 20 9.490 9.490 9.308 0.182 25763 1997 1 7 . 1 1 21 21 VAL N N 21 114.200 114.200 126.352 -12.152 25763 1998 1 7 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.047 0.693 25763 1999 1 7 . 1 1 21 21 VAL C C 21 174.600 174.600 174.555 0.045 25763 2000 1 7 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.150 -1.050 25763 2001 1 7 . 1 1 21 21 VAL H H 21 9.210 9.210 9.110 0.100 25763 2002 1 7 . 1 1 22 22 ASN N N 22 121.000 121.000 125.571 -4.571 25763 2003 1 7 . 1 1 22 22 ASN C C 22 177.500 177.500 176.123 1.377 25763 2004 1 7 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.456 -2.856 25763 2005 1 7 . 1 1 22 22 ASN H H 22 7.390 7.390 8.647 -1.257 25763 2006 1 7 . 1 1 23 23 ASP N N 23 117.600 117.600 125.519 -7.919 25763 2007 1 7 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.318 0.182 25763 2008 1 7 . 1 1 23 23 ASP C C 23 176.500 176.500 177.372 -0.872 25763 2009 1 7 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.774 -0.674 25763 2010 1 7 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.158 -1.458 25763 2011 1 7 . 1 1 23 23 ASP H H 23 8.380 8.380 8.437 -0.057 25763 2012 1 7 . 1 1 24 24 GLU N N 24 117.900 117.900 118.622 -0.722 25763 2013 1 7 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.107 0.333 25763 2014 1 7 . 1 1 24 24 GLU C C 24 175.100 175.100 176.147 -1.047 25763 2015 1 7 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.666 -1.266 25763 2016 1 7 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.385 -0.285 25763 2017 1 7 . 1 1 24 24 GLU H H 24 7.300 7.300 7.859 -0.559 25763 2018 1 7 . 1 1 25 25 GLU N N 25 113.000 113.000 114.748 -1.748 25763 2019 1 7 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.930 -0.100 25763 2020 1 7 . 1 1 25 25 GLU C C 25 175.900 175.900 174.814 1.086 25763 2021 1 7 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.023 0.677 25763 2022 1 7 . 1 1 25 25 GLU CB C 25 26.500 26.500 26.977 -0.477 25763 2023 1 7 . 1 1 25 25 GLU H H 25 8.120 8.120 8.059 0.061 25763 2024 1 7 . 1 1 26 26 GLN N N 26 117.100 117.100 118.917 -1.817 25763 2025 1 7 . 1 1 26 26 GLN HA H 26 4.370 4.370 5.051 -0.681 25763 2026 1 7 . 1 1 26 26 GLN CA C 26 54.600 54.600 54.637 -0.037 25763 2027 1 7 . 1 1 26 26 GLN CB C 26 29.400 29.400 32.763 -3.363 25763 2028 1 7 . 1 1 26 26 GLN H H 26 7.770 7.770 7.559 0.211 25763 2029 1 7 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.862 0.258 25763 2030 1 7 . 1 1 27 27 HIS C C 27 174.100 174.100 174.443 -0.343 25763 2031 1 7 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.916 -0.016 25763 2032 1 7 . 1 1 28 28 SER N N 28 111.900 111.900 116.993 -5.093 25763 2033 1 7 . 1 1 28 28 SER C C 28 173.200 173.200 172.794 0.406 25763 2034 1 7 . 1 1 28 28 SER CA C 28 57.700 57.700 57.288 0.412 25763 2035 1 7 . 1 1 28 28 SER H H 28 8.830 8.830 9.464 -0.634 25763 2036 1 7 . 1 1 29 29 LEU N N 29 126.000 126.000 121.098 4.902 25763 2037 1 7 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.834 0.476 25763 2038 1 7 . 1 1 29 29 LEU CA C 29 55.200 55.200 54.520 0.680 25763 2039 1 7 . 1 1 29 29 LEU H H 29 8.840 8.840 8.329 0.511 25763 2040 1 7 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.151 0.919 25763 2041 1 7 . 1 1 31 31 PRO C C 31 176.300 176.300 176.090 0.210 25763 2042 1 7 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.715 -0.715 25763 2043 1 7 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.710 1.290 25763 2044 1 7 . 1 1 32 32 ALA N N 32 121.500 121.500 125.911 -4.411 25763 2045 1 7 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.035 0.825 25763 2046 1 7 . 1 1 32 32 ALA C C 32 177.600 177.600 177.820 -0.220 25763 2047 1 7 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.305 0.195 25763 2048 1 7 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.787 -0.187 25763 2049 1 7 . 1 1 32 32 ALA H H 32 7.940 7.940 7.582 0.358 25763 2050 1 7 . 1 1 33 33 PHE N N 33 111.800 111.800 117.730 -5.930 25763 2051 1 7 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.475 0.065 25763 2052 1 7 . 1 1 33 33 PHE C C 33 174.700 174.700 175.033 -0.333 25763 2053 1 7 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.804 -1.404 25763 2054 1 7 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.458 -0.958 25763 2055 1 7 . 1 1 33 33 PHE H H 33 6.970 6.970 7.809 -0.839 25763 2056 1 7 . 1 1 34 34 ALA N N 34 125.700 125.700 122.411 3.289 25763 2057 1 7 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.598 0.032 25763 2058 1 7 . 1 1 34 34 ALA C C 34 177.700 177.700 174.968 2.732 25763 2059 1 7 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.586 -1.286 25763 2060 1 7 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.776 -1.576 25763 2061 1 7 . 1 1 34 34 ALA H H 34 7.080 7.080 7.686 -0.606 25763 2062 1 7 . 1 1 35 35 ASP N N 35 124.700 124.700 120.530 4.170 25763 2063 1 7 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.708 -0.208 25763 2064 1 7 . 1 1 35 35 ASP C C 35 176.400 176.400 175.531 0.869 25763 2065 1 7 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.084 0.916 25763 2066 1 7 . 1 1 35 35 ASP CB C 35 40.100 40.100 42.092 -1.992 25763 2067 1 7 . 1 1 35 35 ASP H H 35 8.960 8.960 8.480 0.480 25763 2068 1 7 . 1 1 36 36 VAL N N 36 125.800 125.800 125.437 0.363 25763 2069 1 7 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.304 1.996 25763 2070 1 7 . 1 1 36 36 VAL CB C 36 32.100 32.100 32.782 -0.682 25763 2071 1 7 . 1 1 36 36 VAL H H 36 8.700 8.700 8.103 0.597 25763 2072 1 7 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.510 -0.240 25763 2073 1 7 . 1 1 37 37 PRO C C 37 175.600 175.600 175.981 -0.381 25763 2074 1 7 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.396 -0.296 25763 2075 1 7 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.286 -0.886 25763 2076 1 7 . 1 1 38 38 ALA N N 38 122.800 122.800 121.887 0.913 25763 2077 1 7 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.200 0.030 25763 2078 1 7 . 1 1 38 38 ALA C C 38 179.100 179.100 178.399 0.701 25763 2079 1 7 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.990 0.210 25763 2080 1 7 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.269 -1.169 25763 2081 1 7 . 1 1 38 38 ALA H H 38 8.380 8.380 8.102 0.278 25763 2082 1 7 . 1 1 39 39 GLY N N 39 110.000 110.000 109.138 0.862 25763 2083 1 7 . 1 1 39 39 GLY C C 39 173.800 173.800 173.778 0.022 25763 2084 1 7 . 1 1 39 39 GLY CA C 39 44.600 44.600 45.179 -0.579 25763 2085 1 7 . 1 1 39 39 GLY H H 39 8.880 8.880 8.301 0.579 25763 2086 1 7 . 1 1 40 40 TRP N N 40 120.300 120.300 122.704 -2.404 25763 2087 1 7 . 1 1 40 40 TRP C C 40 174.800 174.800 175.496 -0.696 25763 2088 1 7 . 1 1 40 40 TRP CA C 40 56.100 56.100 56.208 -0.108 25763 2089 1 7 . 1 1 40 40 TRP CB C 40 31.600 31.600 29.062 2.538 25763 2090 1 7 . 1 1 40 40 TRP H H 40 7.810 7.810 7.539 0.271 25763 2091 1 7 . 1 1 41 41 ARG N N 41 117.800 117.800 124.756 -6.956 25763 2092 1 7 . 1 1 41 41 ARG C C 41 174.700 174.700 175.050 -0.350 25763 2093 1 7 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.026 -0.026 25763 2094 1 7 . 1 1 41 41 ARG CB C 41 32.900 32.900 32.142 0.758 25763 2095 1 7 . 1 1 41 41 ARG H H 41 9.260 9.260 9.058 0.202 25763 2096 1 7 . 1 1 42 42 VAL N N 42 122.400 122.400 126.746 -4.346 25763 2097 1 7 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.092 -0.002 25763 2098 1 7 . 1 1 42 42 VAL C C 42 177.900 177.900 175.300 2.600 25763 2099 1 7 . 1 1 42 42 VAL CA C 42 63.300 63.300 61.776 1.524 25763 2100 1 7 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.188 0.012 25763 2101 1 7 . 1 1 42 42 VAL H H 42 8.790 8.790 8.592 0.198 25763 2102 1 7 . 1 1 43 43 VAL N N 43 119.100 119.100 128.604 -9.504 25763 2103 1 7 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.089 0.701 25763 2104 1 7 . 1 1 43 43 VAL C C 43 174.700 174.700 175.438 -0.738 25763 2105 1 7 . 1 1 43 43 VAL CA C 43 60.600 60.600 64.001 -3.401 25763 2106 1 7 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.694 1.006 25763 2107 1 7 . 1 1 43 43 VAL H H 43 9.140 9.140 8.589 0.551 25763 2108 1 7 . 1 1 44 44 HIS N N 44 119.200 119.200 118.572 0.628 25763 2109 1 7 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.724 -0.174 25763 2110 1 7 . 1 1 44 44 HIS C C 44 173.400 173.400 174.142 -0.742 25763 2111 1 7 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.123 2.277 25763 2112 1 7 . 1 1 44 44 HIS CB C 44 32.700 32.700 32.912 -0.212 25763 2113 1 7 . 1 1 44 44 HIS H H 44 7.720 7.720 7.389 0.331 25763 2114 1 7 . 1 1 45 45 GLY N N 45 111.800 111.800 111.523 0.277 25763 2115 1 7 . 1 1 45 45 GLY C C 45 174.600 174.600 173.400 1.200 25763 2116 1 7 . 1 1 45 45 GLY CA C 45 42.100 42.100 43.869 -1.769 25763 2117 1 7 . 1 1 45 45 GLY H H 45 7.680 7.680 8.120 -0.440 25763 2118 1 7 . 1 1 46 46 GLU N N 46 121.400 121.400 117.792 3.608 25763 2119 1 7 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.472 0.718 25763 2120 1 7 . 1 1 46 46 GLU C C 46 175.200 175.200 174.852 0.348 25763 2121 1 7 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.353 -0.353 25763 2122 1 7 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.106 1.294 25763 2123 1 7 . 1 1 46 46 GLU H H 46 8.680 8.680 8.376 0.304 25763 2124 1 7 . 1 1 47 47 ALA N N 47 126.700 126.700 127.309 -0.609 25763 2125 1 7 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.656 0.144 25763 2126 1 7 . 1 1 47 47 ALA C C 47 174.900 174.900 176.164 -1.264 25763 2127 1 7 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.422 -0.422 25763 2128 1 7 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.371 0.629 25763 2129 1 7 . 1 1 47 47 ALA H H 47 9.430 9.430 8.081 1.349 25763 2130 1 7 . 1 1 48 48 ASP N N 48 117.400 117.400 119.203 -1.803 25763 2131 1 7 . 1 1 48 48 ASP C C 48 175.800 175.800 176.975 -1.175 25763 2132 1 7 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.182 0.618 25763 2133 1 7 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.326 -1.426 25763 2134 1 7 . 1 1 48 48 ASP H H 48 8.560 8.560 8.622 -0.062 25763 2135 1 7 . 1 1 49 49 ARG N N 49 121.500 121.500 121.847 -0.347 25763 2136 1 7 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.906 -0.546 25763 2137 1 7 . 1 1 49 49 ARG C C 49 179.000 179.000 178.019 0.981 25763 2138 1 7 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.244 1.656 25763 2139 1 7 . 1 1 49 49 ARG H H 49 9.310 9.310 8.759 0.551 25763 2140 1 7 . 1 1 50 50 ALA N N 50 119.000 119.000 121.558 -2.558 25763 2141 1 7 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.054 0.016 25763 2142 1 7 . 1 1 50 50 ALA C C 50 180.500 180.500 179.267 1.233 25763 2143 1 7 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.815 0.385 25763 2144 1 7 . 1 1 50 50 ALA CB C 50 17.700 17.700 18.047 -0.347 25763 2145 1 7 . 1 1 50 50 ALA H H 50 8.620 8.620 8.478 0.142 25763 2146 1 7 . 1 1 51 51 ALA N N 51 121.700 121.700 121.863 -0.163 25763 2147 1 7 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.252 0.078 25763 2148 1 7 . 1 1 51 51 ALA C C 51 182.300 182.300 179.872 2.428 25763 2149 1 7 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.503 0.097 25763 2150 1 7 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.277 0.523 25763 2151 1 7 . 1 1 51 51 ALA H H 51 8.340 8.340 8.381 -0.041 25763 2152 1 7 . 1 1 52 52 CYS N N 52 117.900 117.900 116.272 1.628 25763 2153 1 7 . 1 1 52 52 CYS HA H 52 4.140 4.140 3.851 0.289 25763 2154 1 7 . 1 1 52 52 CYS C C 52 176.800 176.800 176.754 0.046 25763 2155 1 7 . 1 1 52 52 CYS CA C 52 64.500 64.500 61.678 2.822 25763 2156 1 7 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.986 0.114 25763 2157 1 7 . 1 1 52 52 CYS H H 52 8.300 8.300 7.905 0.395 25763 2158 1 7 . 1 1 53 53 LEU N N 53 120.600 120.600 121.597 -0.997 25763 2159 1 7 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.832 0.338 25763 2160 1 7 . 1 1 53 53 LEU C C 53 179.900 179.900 179.396 0.504 25763 2161 1 7 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.862 0.237 25763 2162 1 7 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.492 -0.992 25763 2163 1 7 . 1 1 53 53 LEU H H 53 8.780 8.780 8.192 0.588 25763 2164 1 7 . 1 1 54 54 GLU N N 54 120.600 120.600 118.810 1.790 25763 2165 1 7 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.046 0.074 25763 2166 1 7 . 1 1 54 54 GLU C C 54 178.300 178.300 178.742 -0.442 25763 2167 1 7 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.080 0.220 25763 2168 1 7 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.580 -0.180 25763 2169 1 7 . 1 1 54 54 GLU H H 54 8.350 8.350 7.990 0.360 25763 2170 1 7 . 1 1 55 55 TYR N N 55 120.800 120.800 122.024 -1.224 25763 2171 1 7 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.172 -0.022 25763 2172 1 7 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.353 0.347 25763 2173 1 7 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.265 -0.665 25763 2174 1 7 . 1 1 55 55 TYR H H 55 7.890 7.890 7.915 -0.025 25763 2175 1 7 . 1 1 56 56 ILE C C 56 176.700 176.700 177.305 -0.605 25763 2176 1 7 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.955 0.245 25763 2177 1 7 . 1 1 57 57 GLU N N 57 119.400 119.400 119.140 0.260 25763 2178 1 7 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.020 0.010 25763 2179 1 7 . 1 1 57 57 GLU C C 57 177.700 177.700 178.474 -0.774 25763 2180 1 7 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.744 -0.244 25763 2181 1 7 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.433 -0.533 25763 2182 1 7 . 1 1 57 57 GLU H H 57 8.290 8.290 7.581 0.709 25763 2183 1 7 . 1 1 58 58 GLU N N 58 115.000 115.000 117.787 -2.787 25763 2184 1 7 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.166 -0.286 25763 2185 1 7 . 1 1 58 58 GLU C C 58 177.600 177.600 176.676 0.924 25763 2186 1 7 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.549 0.151 25763 2187 1 7 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.318 -0.918 25763 2188 1 7 . 1 1 58 58 GLU H H 58 7.780 7.780 8.066 -0.286 25763 2189 1 7 . 1 1 59 59 HIS N N 59 113.700 113.700 118.222 -4.522 25763 2190 1 7 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.738 1.662 25763 2191 1 7 . 1 1 59 59 HIS CB C 59 28.000 28.000 27.758 0.242 25763 2192 1 7 . 1 1 59 59 HIS H H 59 7.420 7.420 7.814 -0.394 25763 2193 1 7 . 1 1 63 63 ILE CB C 63 38.600 38.600 40.830 -2.230 25763 2194 1 7 . 1 1 68 68 LEU CA C 68 55.700 55.700 54.236 1.464 25763 2195 1 7 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.116 -0.016 25763 2196 1 7 . 1 1 69 69 ARG N N 69 121.100 121.100 120.706 0.394 25763 2197 1 7 . 1 1 69 69 ARG H H 69 8.550 8.550 7.475 1.075 25763 2198 1 7 . 1 1 70 70 ASP C C 70 176.000 176.000 176.364 -0.364 25763 2199 1 7 . 1 1 70 70 ASP CA C 70 55.600 55.600 55.657 -0.058 25763 2200 1 7 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.117 -0.117 25763 2201 1 7 . 1 1 71 71 LYS N N 71 121.200 121.200 121.343 -0.143 25763 2202 1 7 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.474 -0.254 25763 2203 1 7 . 1 1 71 71 LYS C C 71 177.500 177.500 176.898 0.602 25763 2204 1 7 . 1 1 71 71 LYS CA C 71 57.100 57.100 55.555 1.545 25763 2205 1 7 . 1 1 71 71 LYS CB C 71 32.600 32.600 33.027 -0.427 25763 2206 1 7 . 1 1 71 71 LYS H H 71 8.260 8.260 8.744 -0.484 25763 2207 1 7 . 1 1 72 72 LEU N N 72 121.600 121.600 123.323 -1.723 25763 2208 1 7 . 1 1 72 72 LEU CA C 72 55.300 55.300 54.015 1.285 25763 2209 1 7 . 1 1 72 72 LEU CB C 72 42.100 42.100 40.945 1.155 25763 2210 1 7 . 1 1 72 72 LEU H H 72 8.330 8.330 8.271 0.059 25763 2211 1 7 . 1 1 73 73 ALA N N 73 123.900 123.900 123.913 -0.013 25763 2212 1 7 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.692 -0.282 25763 2213 1 7 . 1 1 73 73 ALA C C 73 177.900 177.900 177.150 0.750 25763 2214 1 7 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.385 1.115 25763 2215 1 7 . 1 1 73 73 ALA CB C 73 18.800 18.800 20.846 -2.046 25763 2216 1 7 . 1 1 73 73 ALA H H 73 8.250 8.250 7.561 0.689 25763 2217 1 7 . 1 1 74 74 THR N N 74 112.000 112.000 118.548 -6.548 25763 2218 1 7 . 1 1 74 74 THR HA H 74 4.400 4.400 4.480 -0.080 25763 2219 1 7 . 1 1 74 74 THR C C 74 175.200 175.200 174.602 0.598 25763 2220 1 7 . 1 1 74 74 THR CA C 74 61.700 61.700 62.334 -0.634 25763 2221 1 7 . 1 1 74 74 THR CB C 74 69.700 69.700 69.246 0.454 25763 2222 1 7 . 1 1 74 74 THR H H 74 8.160 8.160 8.360 -0.200 25763 2223 1 7 . 1 1 75 75 GLY N N 75 110.600 110.600 113.412 -2.812 25763 2224 1 7 . 1 1 75 75 GLY C C 75 174.100 174.100 173.465 0.635 25763 2225 1 7 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.942 0.458 25763 2226 1 7 . 1 1 75 75 GLY H H 75 8.540 8.540 8.564 -0.024 25763 2227 1 7 . 1 1 76 76 ARG N N 76 120.100 120.100 121.691 -1.591 25763 2228 1 7 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.773 -0.403 25763 2229 1 7 . 1 1 76 76 ARG C C 76 176.600 176.600 175.616 0.984 25763 2230 1 7 . 1 1 76 76 ARG CA C 76 56.000 56.000 56.070 -0.070 25763 2231 1 7 . 1 1 76 76 ARG CB C 76 30.400 30.400 32.027 -1.627 25763 2232 1 7 . 1 1 76 76 ARG H H 76 8.340 8.340 8.071 0.269 25763 2233 1 7 . 1 1 77 77 GLY N N 77 109.400 109.400 110.570 -1.170 25763 2234 1 7 . 1 1 77 77 GLY C C 77 173.800 173.800 173.246 0.554 25763 2235 1 7 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.519 0.381 25763 2236 1 7 . 1 1 77 77 GLY H H 77 8.560 8.560 8.386 0.174 25763 2237 1 7 . 1 1 78 78 PHE N N 78 119.200 119.200 118.441 0.759 25763 2238 1 7 . 1 1 78 78 PHE C C 78 175.500 175.500 174.548 0.952 25763 2239 1 7 . 1 1 78 78 PHE CA C 78 57.800 57.800 56.772 1.028 25763 2240 1 7 . 1 1 78 78 PHE CB C 78 39.300 39.300 40.348 -1.048 25763 2241 1 7 . 1 1 78 78 PHE H H 78 8.270 8.270 7.799 0.471 25763 2242 1 7 . 1 1 79 79 ASP N N 79 121.400 121.400 121.565 -0.165 25763 2243 1 7 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.711 -0.081 25763 2244 1 7 . 1 1 79 79 ASP C C 79 175.000 175.000 175.308 -0.308 25763 2245 1 7 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.159 0.141 25763 2246 1 7 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.538 -0.838 25763 2247 1 7 . 1 1 79 79 ASP H H 79 8.540 8.540 8.578 -0.038 25763 2248 1 8 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.594 -9.094 25763 2249 1 8 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.652 -0.452 25763 2250 1 8 . 1 1 3 3 GLY N N 3 109.800 109.800 109.558 0.242 25763 2251 1 8 . 1 1 3 3 GLY C C 3 174.100 174.100 174.076 0.024 25763 2252 1 8 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.750 0.350 25763 2253 1 8 . 1 1 3 3 GLY H H 3 8.800 8.800 8.358 0.442 25763 2254 1 8 . 1 1 4 4 SER N N 4 115.200 115.200 116.337 -1.137 25763 2255 1 8 . 1 1 4 4 SER HA H 4 4.510 4.510 4.494 0.016 25763 2256 1 8 . 1 1 4 4 SER C C 4 174.400 174.400 176.300 -1.900 25763 2257 1 8 . 1 1 4 4 SER CA C 4 58.200 58.200 58.156 0.044 25763 2258 1 8 . 1 1 4 4 SER CB C 4 63.500 63.500 64.336 -0.836 25763 2259 1 8 . 1 1 4 4 SER H H 4 8.280 8.280 7.959 0.321 25763 2260 1 8 . 1 1 5 5 MET HA H 5 4.200 4.200 4.239 -0.039 25763 2261 1 8 . 1 1 5 5 MET C C 5 175.800 175.800 176.095 -0.295 25763 2262 1 8 . 1 1 5 5 MET CA C 5 61.900 61.900 57.434 4.466 25763 2263 1 8 . 1 1 5 5 MET CB C 5 32.900 32.900 32.265 0.635 25763 2264 1 8 . 1 1 6 6 SER N N 6 119.700 119.700 111.719 7.981 25763 2265 1 8 . 1 1 6 6 SER HA H 6 4.550 4.550 4.659 -0.109 25763 2266 1 8 . 1 1 6 6 SER C C 6 174.100 174.100 173.669 0.431 25763 2267 1 8 . 1 1 6 6 SER CA C 6 57.700 57.700 57.656 0.044 25763 2268 1 8 . 1 1 6 6 SER CB C 6 63.500 63.500 64.467 -0.967 25763 2269 1 8 . 1 1 6 6 SER H H 6 8.530 8.530 7.813 0.717 25763 2270 1 8 . 1 1 7 7 ILE N N 7 122.400 122.400 125.821 -3.421 25763 2271 1 8 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.305 -0.065 25763 2272 1 8 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.510 -1.010 25763 2273 1 8 . 1 1 7 7 ILE CB C 7 38.800 38.800 38.578 0.222 25763 2274 1 8 . 1 1 7 7 ILE H H 7 8.360 8.360 8.992 -0.632 25763 2275 1 8 . 1 1 8 8 ASN N N 8 123.600 123.600 119.615 3.985 25763 2276 1 8 . 1 1 8 8 ASN CA C 8 51.000 51.000 50.926 0.074 25763 2277 1 8 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.189 -1.389 25763 2278 1 8 . 1 1 8 8 ASN H H 8 8.700 8.700 7.812 0.888 25763 2279 1 8 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.462 0.158 25763 2280 1 8 . 1 1 13 13 ASP C C 13 176.800 176.800 176.118 0.682 25763 2281 1 8 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.466 -0.766 25763 2282 1 8 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.406 -0.506 25763 2283 1 8 . 1 1 14 14 ASN N N 14 117.700 117.700 114.376 3.324 25763 2284 1 8 . 1 1 14 14 ASN C C 14 175.600 175.600 175.295 0.305 25763 2285 1 8 . 1 1 14 14 ASN CA C 14 53.300 53.300 52.726 0.574 25763 2286 1 8 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.059 1.041 25763 2287 1 8 . 1 1 14 14 ASN H H 14 8.720 8.720 8.144 0.576 25763 2288 1 8 . 1 1 15 15 GLY N N 15 107.500 107.500 109.604 -2.104 25763 2289 1 8 . 1 1 15 15 GLY C C 15 172.600 172.600 174.010 -1.410 25763 2290 1 8 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.720 0.380 25763 2291 1 8 . 1 1 15 15 GLY H H 15 8.160 8.160 8.069 0.092 25763 2292 1 8 . 1 1 16 16 SER N N 16 114.000 114.000 121.422 -7.422 25763 2293 1 8 . 1 1 16 16 SER HA H 16 4.710 4.710 4.628 0.082 25763 2294 1 8 . 1 1 16 16 SER C C 16 174.100 174.100 174.181 -0.081 25763 2295 1 8 . 1 1 16 16 SER CA C 16 57.300 57.300 56.955 0.345 25763 2296 1 8 . 1 1 16 16 SER CB C 16 64.200 64.200 65.215 -1.015 25763 2297 1 8 . 1 1 16 16 SER H H 16 7.780 7.780 8.553 -0.773 25763 2298 1 8 . 1 1 17 17 PHE N N 17 123.000 123.000 122.527 0.473 25763 2299 1 8 . 1 1 17 17 PHE CA C 17 57.700 57.700 59.153 -1.453 25763 2300 1 8 . 1 1 17 17 PHE CB C 17 46.000 46.000 37.979 8.021 25763 2301 1 8 . 1 1 17 17 PHE H H 17 9.570 9.570 7.730 1.840 25763 2302 1 8 . 1 1 18 18 PHE N N 18 114.900 114.900 122.473 -7.573 25763 2303 1 8 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.018 0.742 25763 2304 1 8 . 1 1 18 18 PHE C C 18 177.000 177.000 173.061 3.939 25763 2305 1 8 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.275 0.125 25763 2306 1 8 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.409 2.791 25763 2307 1 8 . 1 1 18 18 PHE H H 18 9.680 9.680 6.930 2.750 25763 2308 1 8 . 1 1 19 19 VAL N N 19 117.000 117.000 120.699 -3.699 25763 2309 1 8 . 1 1 19 19 VAL C C 19 175.000 175.000 173.552 1.448 25763 2310 1 8 . 1 1 19 19 VAL CA C 19 62.400 62.400 60.816 1.584 25763 2311 1 8 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.974 -2.974 25763 2312 1 8 . 1 1 19 19 VAL H H 19 8.720 8.720 8.931 -0.211 25763 2313 1 8 . 1 1 20 20 LEU N N 20 126.400 126.400 128.436 -2.036 25763 2314 1 8 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.766 1.104 25763 2315 1 8 . 1 1 20 20 LEU C C 20 176.800 176.800 174.482 2.318 25763 2316 1 8 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.390 -1.390 25763 2317 1 8 . 1 1 20 20 LEU H H 20 9.490 9.490 9.059 0.431 25763 2318 1 8 . 1 1 21 21 VAL N N 21 114.200 114.200 121.650 -7.450 25763 2319 1 8 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.342 0.398 25763 2320 1 8 . 1 1 21 21 VAL C C 21 174.600 174.600 174.284 0.316 25763 2321 1 8 . 1 1 21 21 VAL CA C 21 59.100 59.100 59.221 -0.121 25763 2322 1 8 . 1 1 21 21 VAL H H 21 9.210 9.210 9.228 -0.018 25763 2323 1 8 . 1 1 22 22 ASN N N 22 121.000 121.000 124.388 -3.388 25763 2324 1 8 . 1 1 22 22 ASN C C 22 177.500 177.500 175.974 1.526 25763 2325 1 8 . 1 1 22 22 ASN CA C 22 49.600 49.600 51.915 -2.315 25763 2326 1 8 . 1 1 22 22 ASN H H 22 7.390 7.390 8.616 -1.226 25763 2327 1 8 . 1 1 23 23 ASP N N 23 117.600 117.600 125.377 -7.777 25763 2328 1 8 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.393 0.107 25763 2329 1 8 . 1 1 23 23 ASP C C 23 176.500 176.500 177.139 -0.639 25763 2330 1 8 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.394 -0.294 25763 2331 1 8 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.207 -1.507 25763 2332 1 8 . 1 1 23 23 ASP H H 23 8.380 8.380 8.110 0.270 25763 2333 1 8 . 1 1 24 24 GLU N N 24 117.900 117.900 117.115 0.785 25763 2334 1 8 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.237 0.203 25763 2335 1 8 . 1 1 24 24 GLU C C 24 175.100 175.100 175.722 -0.622 25763 2336 1 8 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.140 -0.740 25763 2337 1 8 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.417 -0.317 25763 2338 1 8 . 1 1 24 24 GLU H H 24 7.300 7.300 7.972 -0.672 25763 2339 1 8 . 1 1 25 25 GLU N N 25 113.000 113.000 114.387 -1.387 25763 2340 1 8 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.856 -0.026 25763 2341 1 8 . 1 1 25 25 GLU C C 25 175.900 175.900 174.615 1.285 25763 2342 1 8 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.107 0.593 25763 2343 1 8 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.637 -1.137 25763 2344 1 8 . 1 1 25 25 GLU H H 25 8.120 8.120 7.893 0.227 25763 2345 1 8 . 1 1 26 26 GLN N N 26 117.100 117.100 117.445 -0.345 25763 2346 1 8 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.356 0.014 25763 2347 1 8 . 1 1 26 26 GLN CA C 26 54.600 54.600 55.646 -1.046 25763 2348 1 8 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.417 -0.017 25763 2349 1 8 . 1 1 26 26 GLN H H 26 7.770 7.770 7.512 0.258 25763 2350 1 8 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.305 0.815 25763 2351 1 8 . 1 1 27 27 HIS C C 27 174.100 174.100 175.009 -0.909 25763 2352 1 8 . 1 1 27 27 HIS CA C 27 53.900 53.900 55.911 -2.011 25763 2353 1 8 . 1 1 28 28 SER N N 28 111.900 111.900 117.653 -5.753 25763 2354 1 8 . 1 1 28 28 SER C C 28 173.200 173.200 172.596 0.604 25763 2355 1 8 . 1 1 28 28 SER CA C 28 57.700 57.700 57.206 0.494 25763 2356 1 8 . 1 1 28 28 SER H H 28 8.830 8.830 9.137 -0.307 25763 2357 1 8 . 1 1 29 29 LEU N N 29 126.000 126.000 118.370 7.630 25763 2358 1 8 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.709 0.601 25763 2359 1 8 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.358 1.842 25763 2360 1 8 . 1 1 29 29 LEU H H 29 8.840 8.840 8.253 0.587 25763 2361 1 8 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.201 0.869 25763 2362 1 8 . 1 1 31 31 PRO C C 31 176.300 176.300 176.252 0.048 25763 2363 1 8 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.474 -0.474 25763 2364 1 8 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.440 1.560 25763 2365 1 8 . 1 1 32 32 ALA N N 32 121.500 121.500 125.982 -4.482 25763 2366 1 8 . 1 1 32 32 ALA HA H 32 3.860 3.860 2.220 1.640 25763 2367 1 8 . 1 1 32 32 ALA C C 32 177.600 177.600 177.035 0.565 25763 2368 1 8 . 1 1 32 32 ALA CA C 32 53.500 53.500 52.754 0.746 25763 2369 1 8 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.393 0.207 25763 2370 1 8 . 1 1 32 32 ALA H H 32 7.940 7.940 6.973 0.967 25763 2371 1 8 . 1 1 33 33 PHE N N 33 111.800 111.800 114.930 -3.130 25763 2372 1 8 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.295 0.245 25763 2373 1 8 . 1 1 33 33 PHE C C 33 174.700 174.700 175.524 -0.824 25763 2374 1 8 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.521 -1.121 25763 2375 1 8 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.675 -1.175 25763 2376 1 8 . 1 1 33 33 PHE H H 33 6.970 6.970 7.119 -0.149 25763 2377 1 8 . 1 1 34 34 ALA N N 34 125.700 125.700 121.962 3.738 25763 2378 1 8 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.562 0.068 25763 2379 1 8 . 1 1 34 34 ALA C C 34 177.700 177.700 175.697 2.003 25763 2380 1 8 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.341 -1.041 25763 2381 1 8 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.206 -1.006 25763 2382 1 8 . 1 1 34 34 ALA H H 34 7.080 7.080 7.490 -0.410 25763 2383 1 8 . 1 1 35 35 ASP N N 35 124.700 124.700 119.651 5.049 25763 2384 1 8 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.732 -0.232 25763 2385 1 8 . 1 1 35 35 ASP C C 35 176.400 176.400 175.937 0.463 25763 2386 1 8 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.024 0.976 25763 2387 1 8 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.999 -1.899 25763 2388 1 8 . 1 1 35 35 ASP H H 35 8.960 8.960 8.465 0.495 25763 2389 1 8 . 1 1 36 36 VAL N N 36 125.800 125.800 125.203 0.597 25763 2390 1 8 . 1 1 36 36 VAL CA C 36 61.300 61.300 61.009 0.291 25763 2391 1 8 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.819 0.281 25763 2392 1 8 . 1 1 36 36 VAL H H 36 8.700 8.700 8.351 0.349 25763 2393 1 8 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.543 -0.273 25763 2394 1 8 . 1 1 37 37 PRO C C 37 175.600 175.600 175.994 -0.394 25763 2395 1 8 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.396 -0.296 25763 2396 1 8 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.514 -1.113 25763 2397 1 8 . 1 1 38 38 ALA N N 38 122.800 122.800 121.703 1.097 25763 2398 1 8 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.369 -0.139 25763 2399 1 8 . 1 1 38 38 ALA C C 38 179.100 179.100 178.060 1.040 25763 2400 1 8 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.810 0.390 25763 2401 1 8 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.633 -1.533 25763 2402 1 8 . 1 1 38 38 ALA H H 38 8.380 8.380 8.247 0.133 25763 2403 1 8 . 1 1 39 39 GLY N N 39 110.000 110.000 109.383 0.617 25763 2404 1 8 . 1 1 39 39 GLY C C 39 173.800 173.800 174.127 -0.327 25763 2405 1 8 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.667 -0.067 25763 2406 1 8 . 1 1 39 39 GLY H H 39 8.880 8.880 8.568 0.312 25763 2407 1 8 . 1 1 40 40 TRP N N 40 120.300 120.300 121.528 -1.228 25763 2408 1 8 . 1 1 40 40 TRP C C 40 174.800 174.800 175.946 -1.146 25763 2409 1 8 . 1 1 40 40 TRP CA C 40 56.100 56.100 56.896 -0.796 25763 2410 1 8 . 1 1 40 40 TRP CB C 40 31.600 31.600 29.743 1.857 25763 2411 1 8 . 1 1 40 40 TRP H H 40 7.810 7.810 7.326 0.484 25763 2412 1 8 . 1 1 41 41 ARG N N 41 117.800 117.800 122.189 -4.389 25763 2413 1 8 . 1 1 41 41 ARG C C 41 174.700 174.700 174.643 0.057 25763 2414 1 8 . 1 1 41 41 ARG CA C 41 54.000 54.000 53.254 0.746 25763 2415 1 8 . 1 1 41 41 ARG CB C 41 32.900 32.900 32.398 0.502 25763 2416 1 8 . 1 1 41 41 ARG H H 41 9.260 9.260 9.141 0.119 25763 2417 1 8 . 1 1 42 42 VAL N N 42 122.400 122.400 126.072 -3.672 25763 2418 1 8 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.134 -0.044 25763 2419 1 8 . 1 1 42 42 VAL C C 42 177.900 177.900 176.348 1.552 25763 2420 1 8 . 1 1 42 42 VAL CA C 42 63.300 63.300 61.445 1.855 25763 2421 1 8 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.650 -0.450 25763 2422 1 8 . 1 1 42 42 VAL H H 42 8.790 8.790 8.518 0.272 25763 2423 1 8 . 1 1 43 43 VAL N N 43 119.100 119.100 125.081 -5.981 25763 2424 1 8 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.292 0.498 25763 2425 1 8 . 1 1 43 43 VAL C C 43 174.700 174.700 175.512 -0.812 25763 2426 1 8 . 1 1 43 43 VAL CA C 43 60.600 60.600 63.573 -2.973 25763 2427 1 8 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.900 0.800 25763 2428 1 8 . 1 1 43 43 VAL H H 43 9.140 9.140 8.504 0.636 25763 2429 1 8 . 1 1 44 44 HIS N N 44 119.200 119.200 118.389 0.811 25763 2430 1 8 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.827 -0.277 25763 2431 1 8 . 1 1 44 44 HIS C C 44 173.400 173.400 174.342 -0.942 25763 2432 1 8 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.527 1.873 25763 2433 1 8 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.854 -1.154 25763 2434 1 8 . 1 1 44 44 HIS H H 44 7.720 7.720 7.535 0.185 25763 2435 1 8 . 1 1 45 45 GLY N N 45 111.800 111.800 109.623 2.177 25763 2436 1 8 . 1 1 45 45 GLY C C 45 174.600 174.600 173.878 0.722 25763 2437 1 8 . 1 1 45 45 GLY CA C 45 42.100 42.100 43.985 -1.885 25763 2438 1 8 . 1 1 45 45 GLY H H 45 7.680 7.680 8.595 -0.915 25763 2439 1 8 . 1 1 46 46 GLU N N 46 121.400 121.400 118.817 2.583 25763 2440 1 8 . 1 1 46 46 GLU HA H 46 4.190 4.190 4.018 0.172 25763 2441 1 8 . 1 1 46 46 GLU C C 46 175.200 175.200 175.111 0.089 25763 2442 1 8 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.587 -0.587 25763 2443 1 8 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.407 0.993 25763 2444 1 8 . 1 1 46 46 GLU H H 46 8.680 8.680 8.512 0.168 25763 2445 1 8 . 1 1 47 47 ALA N N 47 126.700 126.700 128.883 -2.183 25763 2446 1 8 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.741 0.059 25763 2447 1 8 . 1 1 47 47 ALA C C 47 174.900 174.900 175.720 -0.820 25763 2448 1 8 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.157 -0.157 25763 2449 1 8 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.663 0.337 25763 2450 1 8 . 1 1 47 47 ALA H H 47 9.430 9.430 8.776 0.654 25763 2451 1 8 . 1 1 48 48 ASP N N 48 117.400 117.400 119.396 -1.996 25763 2452 1 8 . 1 1 48 48 ASP C C 48 175.800 175.800 177.585 -1.785 25763 2453 1 8 . 1 1 48 48 ASP CA C 48 53.800 53.800 54.984 -1.184 25763 2454 1 8 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.414 -0.514 25763 2455 1 8 . 1 1 48 48 ASP H H 48 8.560 8.560 8.371 0.189 25763 2456 1 8 . 1 1 49 49 ARG N N 49 121.500 121.500 120.824 0.676 25763 2457 1 8 . 1 1 49 49 ARG HA H 49 3.360 3.360 4.014 -0.654 25763 2458 1 8 . 1 1 49 49 ARG C C 49 179.000 179.000 177.768 1.232 25763 2459 1 8 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.226 1.674 25763 2460 1 8 . 1 1 49 49 ARG H H 49 9.310 9.310 8.651 0.659 25763 2461 1 8 . 1 1 50 50 ALA N N 50 119.000 119.000 123.326 -4.326 25763 2462 1 8 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.130 -0.060 25763 2463 1 8 . 1 1 50 50 ALA C C 50 180.500 180.500 179.687 0.813 25763 2464 1 8 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.858 0.342 25763 2465 1 8 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.812 -0.112 25763 2466 1 8 . 1 1 50 50 ALA H H 50 8.620 8.620 8.531 0.089 25763 2467 1 8 . 1 1 51 51 ALA N N 51 121.700 121.700 120.780 0.920 25763 2468 1 8 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.239 0.091 25763 2469 1 8 . 1 1 51 51 ALA C C 51 182.300 182.300 179.654 2.646 25763 2470 1 8 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.641 -0.041 25763 2471 1 8 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.009 0.791 25763 2472 1 8 . 1 1 51 51 ALA H H 51 8.340 8.340 8.429 -0.089 25763 2473 1 8 . 1 1 52 52 CYS N N 52 117.900 117.900 119.048 -1.148 25763 2474 1 8 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.257 -0.117 25763 2475 1 8 . 1 1 52 52 CYS C C 52 176.800 176.800 176.727 0.073 25763 2476 1 8 . 1 1 52 52 CYS CA C 52 64.500 64.500 62.696 1.804 25763 2477 1 8 . 1 1 52 52 CYS CB C 52 27.100 27.100 27.331 -0.231 25763 2478 1 8 . 1 1 52 52 CYS H H 52 8.300 8.300 8.063 0.237 25763 2479 1 8 . 1 1 53 53 LEU N N 53 120.600 120.600 118.651 1.949 25763 2480 1 8 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.966 0.204 25763 2481 1 8 . 1 1 53 53 LEU C C 53 179.900 179.900 179.280 0.620 25763 2482 1 8 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.771 0.329 25763 2483 1 8 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.583 -1.083 25763 2484 1 8 . 1 1 53 53 LEU H H 53 8.780 8.780 8.335 0.445 25763 2485 1 8 . 1 1 54 54 GLU N N 54 120.600 120.600 119.602 0.998 25763 2486 1 8 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.979 0.141 25763 2487 1 8 . 1 1 54 54 GLU C C 54 178.300 178.300 178.860 -0.560 25763 2488 1 8 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.188 0.112 25763 2489 1 8 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.478 -0.078 25763 2490 1 8 . 1 1 54 54 GLU H H 54 8.350 8.350 8.263 0.087 25763 2491 1 8 . 1 1 55 55 TYR N N 55 120.800 120.800 121.747 -0.947 25763 2492 1 8 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.505 -0.355 25763 2493 1 8 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.473 0.227 25763 2494 1 8 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.534 -0.934 25763 2495 1 8 . 1 1 55 55 TYR H H 55 7.890 7.890 8.334 -0.444 25763 2496 1 8 . 1 1 56 56 ILE C C 56 176.700 176.700 176.828 -0.128 25763 2497 1 8 . 1 1 56 56 ILE CB C 56 38.200 38.200 38.060 0.140 25763 2498 1 8 . 1 1 57 57 GLU N N 57 119.400 119.400 119.342 0.058 25763 2499 1 8 . 1 1 57 57 GLU HA H 57 4.030 4.030 3.717 0.313 25763 2500 1 8 . 1 1 57 57 GLU C C 57 177.700 177.700 177.990 -0.290 25763 2501 1 8 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.447 0.053 25763 2502 1 8 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.191 -0.291 25763 2503 1 8 . 1 1 57 57 GLU H H 57 8.290 8.290 7.559 0.731 25763 2504 1 8 . 1 1 58 58 GLU N N 58 115.000 115.000 117.147 -2.147 25763 2505 1 8 . 1 1 58 58 GLU HA H 58 3.880 3.880 3.994 -0.114 25763 2506 1 8 . 1 1 58 58 GLU C C 58 177.600 177.600 176.695 0.905 25763 2507 1 8 . 1 1 58 58 GLU CA C 58 57.700 57.700 56.952 0.748 25763 2508 1 8 . 1 1 58 58 GLU CB C 58 29.400 29.400 29.842 -0.442 25763 2509 1 8 . 1 1 58 58 GLU H H 58 7.780 7.780 7.896 -0.116 25763 2510 1 8 . 1 1 59 59 HIS N N 59 113.700 113.700 114.189 -0.489 25763 2511 1 8 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.639 1.761 25763 2512 1 8 . 1 1 59 59 HIS CB C 59 28.000 28.000 26.099 1.901 25763 2513 1 8 . 1 1 59 59 HIS H H 59 7.420 7.420 7.467 -0.047 25763 2514 1 8 . 1 1 63 63 ILE CB C 63 38.600 38.600 37.337 1.263 25763 2515 1 8 . 1 1 68 68 LEU CA C 68 55.700 55.700 57.319 -1.619 25763 2516 1 8 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.123 -0.023 25763 2517 1 8 . 1 1 69 69 ARG N N 69 121.100 121.100 114.850 6.250 25763 2518 1 8 . 1 1 69 69 ARG H H 69 8.550 8.550 8.140 0.410 25763 2519 1 8 . 1 1 70 70 ASP C C 70 176.000 176.000 176.497 -0.497 25763 2520 1 8 . 1 1 70 70 ASP CA C 70 55.600 55.600 54.072 1.528 25763 2521 1 8 . 1 1 70 70 ASP CB C 70 41.000 41.000 40.471 0.529 25763 2522 1 8 . 1 1 71 71 LYS N N 71 121.200 121.200 124.678 -3.478 25763 2523 1 8 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.175 0.045 25763 2524 1 8 . 1 1 71 71 LYS C C 71 177.500 177.500 177.500 0.000 25763 2525 1 8 . 1 1 71 71 LYS CA C 71 57.100 57.100 58.215 -1.115 25763 2526 1 8 . 1 1 71 71 LYS CB C 71 32.600 32.600 32.832 -0.232 25763 2527 1 8 . 1 1 71 71 LYS H H 71 8.260 8.260 8.379 -0.119 25763 2528 1 8 . 1 1 72 72 LEU N N 72 121.600 121.600 121.718 -0.118 25763 2529 1 8 . 1 1 72 72 LEU CA C 72 55.300 55.300 53.136 2.164 25763 2530 1 8 . 1 1 72 72 LEU CB C 72 42.100 42.100 40.204 1.896 25763 2531 1 8 . 1 1 72 72 LEU H H 72 8.330 8.330 7.676 0.654 25763 2532 1 8 . 1 1 73 73 ALA N N 73 123.900 123.900 123.490 0.410 25763 2533 1 8 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.277 0.133 25763 2534 1 8 . 1 1 73 73 ALA C C 73 177.900 177.900 178.104 -0.204 25763 2535 1 8 . 1 1 73 73 ALA CA C 73 52.500 52.500 52.562 -0.062 25763 2536 1 8 . 1 1 73 73 ALA CB C 73 18.800 18.800 18.294 0.505 25763 2537 1 8 . 1 1 73 73 ALA H H 73 8.250 8.250 7.690 0.560 25763 2538 1 8 . 1 1 74 74 THR N N 74 112.000 112.000 116.711 -4.711 25763 2539 1 8 . 1 1 74 74 THR HA H 74 4.400 4.400 4.244 0.156 25763 2540 1 8 . 1 1 74 74 THR C C 74 175.200 175.200 175.569 -0.369 25763 2541 1 8 . 1 1 74 74 THR CA C 74 61.700 61.700 61.428 0.272 25763 2542 1 8 . 1 1 74 74 THR CB C 74 69.700 69.700 69.343 0.357 25763 2543 1 8 . 1 1 74 74 THR H H 74 8.160 8.160 8.243 -0.083 25763 2544 1 8 . 1 1 75 75 GLY N N 75 110.600 110.600 110.262 0.338 25763 2545 1 8 . 1 1 75 75 GLY C C 75 174.100 174.100 173.966 0.134 25763 2546 1 8 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.592 0.808 25763 2547 1 8 . 1 1 75 75 GLY H H 75 8.540 8.540 8.028 0.512 25763 2548 1 8 . 1 1 76 76 ARG N N 76 120.100 120.100 121.748 -1.648 25763 2549 1 8 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.539 -0.169 25763 2550 1 8 . 1 1 76 76 ARG C C 76 176.600 176.600 176.542 0.058 25763 2551 1 8 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.264 0.736 25763 2552 1 8 . 1 1 76 76 ARG CB C 76 30.400 30.400 30.247 0.153 25763 2553 1 8 . 1 1 76 76 ARG H H 76 8.340 8.340 8.735 -0.395 25763 2554 1 8 . 1 1 77 77 GLY N N 77 109.400 109.400 110.070 -0.670 25763 2555 1 8 . 1 1 77 77 GLY C C 77 173.800 173.800 174.380 -0.580 25763 2556 1 8 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.609 -0.709 25763 2557 1 8 . 1 1 77 77 GLY H H 77 8.560 8.560 8.456 0.104 25763 2558 1 8 . 1 1 78 78 PHE N N 78 119.200 119.200 116.644 2.556 25763 2559 1 8 . 1 1 78 78 PHE C C 78 175.500 175.500 175.331 0.169 25763 2560 1 8 . 1 1 78 78 PHE CA C 78 57.800 57.800 55.854 1.946 25763 2561 1 8 . 1 1 78 78 PHE CB C 78 39.300 39.300 39.079 0.221 25763 2562 1 8 . 1 1 78 78 PHE H H 78 8.270 8.270 7.841 0.429 25763 2563 1 8 . 1 1 79 79 ASP N N 79 121.400 121.400 122.076 -0.676 25763 2564 1 8 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.516 0.114 25763 2565 1 8 . 1 1 79 79 ASP C C 79 175.000 175.000 175.882 -0.882 25763 2566 1 8 . 1 1 79 79 ASP CA C 79 54.300 54.300 55.109 -0.809 25763 2567 1 8 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.169 -0.468 25763 2568 1 8 . 1 1 79 79 ASP H H 79 8.540 8.540 8.912 -0.371 25763 2569 1 9 . 1 1 2 2 PRO CA C 2 53.500 53.500 63.208 -9.708 25763 2570 1 9 . 1 1 2 2 PRO CB C 2 32.200 32.200 30.428 1.772 25763 2571 1 9 . 1 1 3 3 GLY N N 3 109.800 109.800 112.051 -2.251 25763 2572 1 9 . 1 1 3 3 GLY C C 3 174.100 174.100 173.129 0.971 25763 2573 1 9 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.655 0.445 25763 2574 1 9 . 1 1 3 3 GLY H H 3 8.800 8.800 7.779 1.021 25763 2575 1 9 . 1 1 4 4 SER N N 4 115.200 115.200 122.570 -7.370 25763 2576 1 9 . 1 1 4 4 SER HA H 4 4.510 4.510 4.504 0.006 25763 2577 1 9 . 1 1 4 4 SER C C 4 174.400 174.400 175.214 -0.814 25763 2578 1 9 . 1 1 4 4 SER CA C 4 58.200 58.200 59.015 -0.815 25763 2579 1 9 . 1 1 4 4 SER CB C 4 63.500 63.500 63.559 -0.059 25763 2580 1 9 . 1 1 4 4 SER H H 4 8.280 8.280 8.547 -0.268 25763 2581 1 9 . 1 1 5 5 MET HA H 5 4.200 4.200 4.370 -0.170 25763 2582 1 9 . 1 1 5 5 MET C C 5 175.800 175.800 175.691 0.109 25763 2583 1 9 . 1 1 5 5 MET CA C 5 61.900 61.900 55.474 6.426 25763 2584 1 9 . 1 1 5 5 MET CB C 5 32.900 32.900 32.389 0.511 25763 2585 1 9 . 1 1 6 6 SER N N 6 119.700 119.700 112.389 7.311 25763 2586 1 9 . 1 1 6 6 SER HA H 6 4.550 4.550 4.704 -0.154 25763 2587 1 9 . 1 1 6 6 SER C C 6 174.100 174.100 173.629 0.471 25763 2588 1 9 . 1 1 6 6 SER CA C 6 57.700 57.700 57.003 0.697 25763 2589 1 9 . 1 1 6 6 SER CB C 6 63.500 63.500 65.743 -2.243 25763 2590 1 9 . 1 1 6 6 SER H H 6 8.530 8.530 7.549 0.981 25763 2591 1 9 . 1 1 7 7 ILE N N 7 122.400 122.400 124.250 -1.850 25763 2592 1 9 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.129 0.111 25763 2593 1 9 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.292 0.207 25763 2594 1 9 . 1 1 7 7 ILE CB C 7 38.800 38.800 35.593 3.207 25763 2595 1 9 . 1 1 7 7 ILE H H 7 8.360 8.360 8.508 -0.148 25763 2596 1 9 . 1 1 8 8 ASN N N 8 123.600 123.600 126.913 -3.313 25763 2597 1 9 . 1 1 8 8 ASN CA C 8 51.000 51.000 50.636 0.364 25763 2598 1 9 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.686 -0.886 25763 2599 1 9 . 1 1 8 8 ASN H H 8 8.700 8.700 7.782 0.918 25763 2600 1 9 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.317 0.303 25763 2601 1 9 . 1 1 13 13 ASP C C 13 176.800 176.800 176.633 0.167 25763 2602 1 9 . 1 1 13 13 ASP CA C 13 55.700 55.700 57.167 -1.467 25763 2603 1 9 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.222 -0.322 25763 2604 1 9 . 1 1 14 14 ASN N N 14 117.700 117.700 112.977 4.723 25763 2605 1 9 . 1 1 14 14 ASN C C 14 175.600 175.600 175.333 0.267 25763 2606 1 9 . 1 1 14 14 ASN CA C 14 53.300 53.300 51.754 1.546 25763 2607 1 9 . 1 1 14 14 ASN CB C 14 39.100 39.100 37.465 1.635 25763 2608 1 9 . 1 1 14 14 ASN H H 14 8.720 8.720 8.263 0.457 25763 2609 1 9 . 1 1 15 15 GLY N N 15 107.500 107.500 107.762 -0.262 25763 2610 1 9 . 1 1 15 15 GLY C C 15 172.600 172.600 175.049 -2.449 25763 2611 1 9 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.982 0.118 25763 2612 1 9 . 1 1 15 15 GLY H H 15 8.160 8.160 7.842 0.318 25763 2613 1 9 . 1 1 16 16 SER N N 16 114.000 114.000 118.670 -4.670 25763 2614 1 9 . 1 1 16 16 SER HA H 16 4.710 4.710 4.437 0.273 25763 2615 1 9 . 1 1 16 16 SER C C 16 174.100 174.100 175.144 -1.044 25763 2616 1 9 . 1 1 16 16 SER CA C 16 57.300 57.300 59.889 -2.589 25763 2617 1 9 . 1 1 16 16 SER CB C 16 64.200 64.200 64.524 -0.324 25763 2618 1 9 . 1 1 16 16 SER H H 16 7.780 7.780 8.354 -0.574 25763 2619 1 9 . 1 1 17 17 PHE N N 17 123.000 123.000 120.278 2.722 25763 2620 1 9 . 1 1 17 17 PHE CA C 17 57.700 57.700 57.412 0.288 25763 2621 1 9 . 1 1 17 17 PHE CB C 17 46.000 46.000 39.218 6.782 25763 2622 1 9 . 1 1 17 17 PHE H H 17 9.570 9.570 7.988 1.582 25763 2623 1 9 . 1 1 18 18 PHE N N 18 114.900 114.900 115.580 -0.680 25763 2624 1 9 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.454 1.306 25763 2625 1 9 . 1 1 18 18 PHE C C 18 177.000 177.000 173.442 3.558 25763 2626 1 9 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.039 0.361 25763 2627 1 9 . 1 1 18 18 PHE CB C 18 44.200 44.200 42.316 1.884 25763 2628 1 9 . 1 1 18 18 PHE H H 18 9.680 9.680 7.359 2.321 25763 2629 1 9 . 1 1 19 19 VAL N N 19 117.000 117.000 118.723 -1.723 25763 2630 1 9 . 1 1 19 19 VAL C C 19 175.000 175.000 173.719 1.281 25763 2631 1 9 . 1 1 19 19 VAL CA C 19 62.400 62.400 60.071 2.329 25763 2632 1 9 . 1 1 19 19 VAL CB C 19 33.000 33.000 33.861 -0.861 25763 2633 1 9 . 1 1 19 19 VAL H H 19 8.720 8.720 8.600 0.121 25763 2634 1 9 . 1 1 20 20 LEU N N 20 126.400 126.400 128.457 -2.057 25763 2635 1 9 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.831 1.039 25763 2636 1 9 . 1 1 20 20 LEU C C 20 176.800 176.800 174.283 2.517 25763 2637 1 9 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.570 -1.570 25763 2638 1 9 . 1 1 20 20 LEU H H 20 9.490 9.490 9.120 0.370 25763 2639 1 9 . 1 1 21 21 VAL N N 21 114.200 114.200 127.847 -13.647 25763 2640 1 9 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.110 0.630 25763 2641 1 9 . 1 1 21 21 VAL C C 21 174.600 174.600 174.166 0.434 25763 2642 1 9 . 1 1 21 21 VAL CA C 21 59.100 59.100 59.839 -0.739 25763 2643 1 9 . 1 1 21 21 VAL H H 21 9.210 9.210 9.142 0.068 25763 2644 1 9 . 1 1 22 22 ASN N N 22 121.000 121.000 127.954 -6.954 25763 2645 1 9 . 1 1 22 22 ASN C C 22 177.500 177.500 175.671 1.829 25763 2646 1 9 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.254 -2.654 25763 2647 1 9 . 1 1 22 22 ASN H H 22 7.390 7.390 8.996 -1.606 25763 2648 1 9 . 1 1 23 23 ASP N N 23 117.600 117.600 123.241 -5.641 25763 2649 1 9 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.465 0.035 25763 2650 1 9 . 1 1 23 23 ASP C C 23 176.500 176.500 176.355 0.145 25763 2651 1 9 . 1 1 23 23 ASP CA C 23 56.100 56.100 57.157 -1.057 25763 2652 1 9 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.066 -1.366 25763 2653 1 9 . 1 1 23 23 ASP H H 23 8.380 8.380 9.346 -0.966 25763 2654 1 9 . 1 1 24 24 GLU N N 24 117.900 117.900 118.000 -0.100 25763 2655 1 9 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.319 0.121 25763 2656 1 9 . 1 1 24 24 GLU C C 24 175.100 175.100 175.690 -0.590 25763 2657 1 9 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.454 -1.054 25763 2658 1 9 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.966 0.134 25763 2659 1 9 . 1 1 24 24 GLU H H 24 7.300 7.300 8.403 -1.103 25763 2660 1 9 . 1 1 25 25 GLU N N 25 113.000 113.000 115.479 -2.479 25763 2661 1 9 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.903 -0.073 25763 2662 1 9 . 1 1 25 25 GLU C C 25 175.900 175.900 174.483 1.417 25763 2663 1 9 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.326 0.374 25763 2664 1 9 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.072 -0.572 25763 2665 1 9 . 1 1 25 25 GLU H H 25 8.120 8.120 7.876 0.244 25763 2666 1 9 . 1 1 26 26 GLN N N 26 117.100 117.100 118.945 -1.845 25763 2667 1 9 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.704 -0.334 25763 2668 1 9 . 1 1 26 26 GLN CA C 26 54.600 54.600 54.862 -0.262 25763 2669 1 9 . 1 1 26 26 GLN CB C 26 29.400 29.400 32.812 -3.412 25763 2670 1 9 . 1 1 26 26 GLN H H 26 7.770 7.770 7.359 0.411 25763 2671 1 9 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.636 0.484 25763 2672 1 9 . 1 1 27 27 HIS C C 27 174.100 174.100 173.975 0.125 25763 2673 1 9 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.560 0.340 25763 2674 1 9 . 1 1 28 28 SER N N 28 111.900 111.900 118.661 -6.761 25763 2675 1 9 . 1 1 28 28 SER C C 28 173.200 173.200 172.230 0.970 25763 2676 1 9 . 1 1 28 28 SER CA C 28 57.700 57.700 56.326 1.374 25763 2677 1 9 . 1 1 28 28 SER H H 28 8.830 8.830 8.902 -0.072 25763 2678 1 9 . 1 1 29 29 LEU N N 29 126.000 126.000 118.120 7.880 25763 2679 1 9 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.731 0.579 25763 2680 1 9 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.779 1.421 25763 2681 1 9 . 1 1 29 29 LEU H H 29 8.840 8.840 8.139 0.701 25763 2682 1 9 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.293 0.777 25763 2683 1 9 . 1 1 31 31 PRO C C 31 176.300 176.300 176.386 -0.086 25763 2684 1 9 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.669 -0.669 25763 2685 1 9 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.039 0.961 25763 2686 1 9 . 1 1 32 32 ALA N N 32 121.500 121.500 126.584 -5.084 25763 2687 1 9 . 1 1 32 32 ALA HA H 32 3.860 3.860 2.463 1.397 25763 2688 1 9 . 1 1 32 32 ALA C C 32 177.600 177.600 177.101 0.499 25763 2689 1 9 . 1 1 32 32 ALA CA C 32 53.500 53.500 52.843 0.657 25763 2690 1 9 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.756 -0.156 25763 2691 1 9 . 1 1 32 32 ALA H H 32 7.940 7.940 8.158 -0.218 25763 2692 1 9 . 1 1 33 33 PHE N N 33 111.800 111.800 116.203 -4.403 25763 2693 1 9 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.679 -0.139 25763 2694 1 9 . 1 1 33 33 PHE C C 33 174.700 174.700 175.513 -0.813 25763 2695 1 9 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.379 -0.979 25763 2696 1 9 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.347 -1.847 25763 2697 1 9 . 1 1 33 33 PHE H H 33 6.970 6.970 7.827 -0.857 25763 2698 1 9 . 1 1 34 34 ALA N N 34 125.700 125.700 122.311 3.389 25763 2699 1 9 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.691 -0.061 25763 2700 1 9 . 1 1 34 34 ALA C C 34 177.700 177.700 175.846 1.854 25763 2701 1 9 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.289 -0.989 25763 2702 1 9 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.520 -1.320 25763 2703 1 9 . 1 1 34 34 ALA H H 34 7.080 7.080 7.887 -0.807 25763 2704 1 9 . 1 1 35 35 ASP N N 35 124.700 124.700 119.968 4.732 25763 2705 1 9 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.806 -0.306 25763 2706 1 9 . 1 1 35 35 ASP C C 35 176.400 176.400 175.465 0.935 25763 2707 1 9 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.354 0.646 25763 2708 1 9 . 1 1 35 35 ASP CB C 35 40.100 40.100 42.305 -2.205 25763 2709 1 9 . 1 1 35 35 ASP H H 35 8.960 8.960 8.452 0.508 25763 2710 1 9 . 1 1 36 36 VAL N N 36 125.800 125.800 125.363 0.437 25763 2711 1 9 . 1 1 36 36 VAL CA C 36 61.300 61.300 60.534 0.766 25763 2712 1 9 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.773 0.327 25763 2713 1 9 . 1 1 36 36 VAL H H 36 8.700 8.700 8.291 0.409 25763 2714 1 9 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.369 -0.099 25763 2715 1 9 . 1 1 37 37 PRO C C 37 175.600 175.600 175.901 -0.301 25763 2716 1 9 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.587 -0.487 25763 2717 1 9 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.385 -0.985 25763 2718 1 9 . 1 1 38 38 ALA N N 38 122.800 122.800 125.731 -2.931 25763 2719 1 9 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.904 0.326 25763 2720 1 9 . 1 1 38 38 ALA C C 38 179.100 179.100 178.460 0.640 25763 2721 1 9 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.918 0.282 25763 2722 1 9 . 1 1 38 38 ALA CB C 38 18.100 18.100 18.744 -0.644 25763 2723 1 9 . 1 1 38 38 ALA H H 38 8.380 8.380 8.236 0.144 25763 2724 1 9 . 1 1 39 39 GLY N N 39 110.000 110.000 111.896 -1.896 25763 2725 1 9 . 1 1 39 39 GLY C C 39 173.800 173.800 173.849 -0.049 25763 2726 1 9 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.399 0.201 25763 2727 1 9 . 1 1 39 39 GLY H H 39 8.880 8.880 8.384 0.496 25763 2728 1 9 . 1 1 40 40 TRP N N 40 120.300 120.300 122.053 -1.753 25763 2729 1 9 . 1 1 40 40 TRP C C 40 174.800 174.800 175.048 -0.248 25763 2730 1 9 . 1 1 40 40 TRP CA C 40 56.100 56.100 55.880 0.220 25763 2731 1 9 . 1 1 40 40 TRP CB C 40 31.600 31.600 30.976 0.624 25763 2732 1 9 . 1 1 40 40 TRP H H 40 7.810 7.810 7.171 0.639 25763 2733 1 9 . 1 1 41 41 ARG N N 41 117.800 117.800 121.240 -3.440 25763 2734 1 9 . 1 1 41 41 ARG C C 41 174.700 174.700 174.322 0.378 25763 2735 1 9 . 1 1 41 41 ARG CA C 41 54.000 54.000 55.181 -1.181 25763 2736 1 9 . 1 1 41 41 ARG CB C 41 32.900 32.900 34.519 -1.619 25763 2737 1 9 . 1 1 41 41 ARG H H 41 9.260 9.260 8.923 0.337 25763 2738 1 9 . 1 1 42 42 VAL N N 42 122.400 122.400 127.345 -4.945 25763 2739 1 9 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.351 -0.261 25763 2740 1 9 . 1 1 42 42 VAL C C 42 177.900 177.900 176.872 1.028 25763 2741 1 9 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.712 0.589 25763 2742 1 9 . 1 1 42 42 VAL CB C 42 32.200 32.200 31.811 0.389 25763 2743 1 9 . 1 1 42 42 VAL H H 42 8.790 8.790 8.583 0.207 25763 2744 1 9 . 1 1 43 43 VAL N N 43 119.100 119.100 124.866 -5.766 25763 2745 1 9 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.122 0.668 25763 2746 1 9 . 1 1 43 43 VAL C C 43 174.700 174.700 175.226 -0.526 25763 2747 1 9 . 1 1 43 43 VAL CA C 43 60.600 60.600 64.215 -3.615 25763 2748 1 9 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.403 1.297 25763 2749 1 9 . 1 1 43 43 VAL H H 43 9.140 9.140 8.548 0.592 25763 2750 1 9 . 1 1 44 44 HIS N N 44 119.200 119.200 119.766 -0.566 25763 2751 1 9 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.674 -0.124 25763 2752 1 9 . 1 1 44 44 HIS C C 44 173.400 173.400 174.474 -1.074 25763 2753 1 9 . 1 1 44 44 HIS CA C 44 57.400 57.400 54.674 2.726 25763 2754 1 9 . 1 1 44 44 HIS CB C 44 32.700 32.700 32.617 0.083 25763 2755 1 9 . 1 1 44 44 HIS H H 44 7.720 7.720 7.303 0.417 25763 2756 1 9 . 1 1 45 45 GLY N N 45 111.800 111.800 112.221 -0.421 25763 2757 1 9 . 1 1 45 45 GLY C C 45 174.600 174.600 173.893 0.707 25763 2758 1 9 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.670 -2.570 25763 2759 1 9 . 1 1 45 45 GLY H H 45 7.680 7.680 8.510 -0.830 25763 2760 1 9 . 1 1 46 46 GLU N N 46 121.400 121.400 119.389 2.011 25763 2761 1 9 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.628 0.562 25763 2762 1 9 . 1 1 46 46 GLU C C 46 175.200 175.200 175.692 -0.492 25763 2763 1 9 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.987 -0.987 25763 2764 1 9 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.287 1.113 25763 2765 1 9 . 1 1 46 46 GLU H H 46 8.680 8.680 8.569 0.111 25763 2766 1 9 . 1 1 47 47 ALA N N 47 126.700 126.700 128.108 -1.408 25763 2767 1 9 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.564 0.236 25763 2768 1 9 . 1 1 47 47 ALA C C 47 174.900 174.900 176.063 -1.163 25763 2769 1 9 . 1 1 47 47 ALA CA C 47 51.000 51.000 50.784 0.216 25763 2770 1 9 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.753 0.247 25763 2771 1 9 . 1 1 47 47 ALA H H 47 9.430 9.430 7.922 1.508 25763 2772 1 9 . 1 1 48 48 ASP N N 48 117.400 117.400 119.570 -2.170 25763 2773 1 9 . 1 1 48 48 ASP C C 48 175.800 175.800 177.400 -1.600 25763 2774 1 9 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.894 -0.094 25763 2775 1 9 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.904 -1.004 25763 2776 1 9 . 1 1 48 48 ASP H H 48 8.560 8.560 8.503 0.057 25763 2777 1 9 . 1 1 49 49 ARG N N 49 121.500 121.500 121.672 -0.172 25763 2778 1 9 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.981 -0.621 25763 2779 1 9 . 1 1 49 49 ARG C C 49 179.000 179.000 177.894 1.106 25763 2780 1 9 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.794 1.107 25763 2781 1 9 . 1 1 49 49 ARG H H 49 9.310 9.310 8.722 0.588 25763 2782 1 9 . 1 1 50 50 ALA N N 50 119.000 119.000 121.911 -2.911 25763 2783 1 9 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.157 -0.087 25763 2784 1 9 . 1 1 50 50 ALA C C 50 180.500 180.500 179.433 1.067 25763 2785 1 9 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.863 0.337 25763 2786 1 9 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.955 -0.255 25763 2787 1 9 . 1 1 50 50 ALA H H 50 8.620 8.620 8.502 0.118 25763 2788 1 9 . 1 1 51 51 ALA N N 51 121.700 121.700 121.227 0.473 25763 2789 1 9 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.359 -0.029 25763 2790 1 9 . 1 1 51 51 ALA C C 51 182.300 182.300 180.080 2.220 25763 2791 1 9 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.712 -0.112 25763 2792 1 9 . 1 1 51 51 ALA CB C 51 18.800 18.800 17.997 0.803 25763 2793 1 9 . 1 1 51 51 ALA H H 51 8.340 8.340 8.553 -0.213 25763 2794 1 9 . 1 1 52 52 CYS N N 52 117.900 117.900 118.222 -0.322 25763 2795 1 9 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.177 -0.037 25763 2796 1 9 . 1 1 52 52 CYS C C 52 176.800 176.800 176.505 0.295 25763 2797 1 9 . 1 1 52 52 CYS CA C 52 64.500 64.500 61.620 2.880 25763 2798 1 9 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.592 0.508 25763 2799 1 9 . 1 1 52 52 CYS H H 52 8.300 8.300 8.131 0.169 25763 2800 1 9 . 1 1 53 53 LEU N N 53 120.600 120.600 119.680 0.920 25763 2801 1 9 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.936 0.234 25763 2802 1 9 . 1 1 53 53 LEU C C 53 179.900 179.900 179.205 0.695 25763 2803 1 9 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.874 0.226 25763 2804 1 9 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.731 -1.231 25763 2805 1 9 . 1 1 53 53 LEU H H 53 8.780 8.780 8.315 0.465 25763 2806 1 9 . 1 1 54 54 GLU N N 54 120.600 120.600 119.325 1.275 25763 2807 1 9 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.042 0.078 25763 2808 1 9 . 1 1 54 54 GLU C C 54 178.300 178.300 178.535 -0.235 25763 2809 1 9 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.077 0.223 25763 2810 1 9 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.605 -0.204 25763 2811 1 9 . 1 1 54 54 GLU H H 54 8.350 8.350 8.436 -0.086 25763 2812 1 9 . 1 1 55 55 TYR N N 55 120.800 120.800 122.209 -1.409 25763 2813 1 9 . 1 1 55 55 TYR HA H 55 4.150 4.150 3.854 0.296 25763 2814 1 9 . 1 1 55 55 TYR CA C 55 61.700 61.700 60.600 1.100 25763 2815 1 9 . 1 1 55 55 TYR CB C 55 37.600 37.600 36.903 0.697 25763 2816 1 9 . 1 1 55 55 TYR H H 55 7.890 7.890 7.864 0.026 25763 2817 1 9 . 1 1 56 56 ILE C C 56 176.700 176.700 177.050 -0.350 25763 2818 1 9 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.689 0.511 25763 2819 1 9 . 1 1 57 57 GLU N N 57 119.400 119.400 118.884 0.516 25763 2820 1 9 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.041 -0.011 25763 2821 1 9 . 1 1 57 57 GLU C C 57 177.700 177.700 178.326 -0.626 25763 2822 1 9 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.677 -0.177 25763 2823 1 9 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.889 -0.989 25763 2824 1 9 . 1 1 57 57 GLU H H 57 8.290 8.290 7.507 0.783 25763 2825 1 9 . 1 1 58 58 GLU N N 58 115.000 115.000 116.647 -1.647 25763 2826 1 9 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.217 -0.337 25763 2827 1 9 . 1 1 58 58 GLU C C 58 177.600 177.600 176.533 1.067 25763 2828 1 9 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.478 0.222 25763 2829 1 9 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.602 -1.202 25763 2830 1 9 . 1 1 58 58 GLU H H 58 7.780 7.780 7.939 -0.159 25763 2831 1 9 . 1 1 59 59 HIS N N 59 113.700 113.700 118.112 -4.412 25763 2832 1 9 . 1 1 59 59 HIS CA C 59 58.400 58.400 55.891 2.509 25763 2833 1 9 . 1 1 59 59 HIS CB C 59 28.000 28.000 27.679 0.321 25763 2834 1 9 . 1 1 59 59 HIS H H 59 7.420 7.420 7.989 -0.569 25763 2835 1 9 . 1 1 63 63 ILE CB C 63 38.600 38.600 39.809 -1.209 25763 2836 1 9 . 1 1 68 68 LEU CA C 68 55.700 55.700 56.172 -0.472 25763 2837 1 9 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.500 -0.400 25763 2838 1 9 . 1 1 69 69 ARG N N 69 121.100 121.100 122.520 -1.420 25763 2839 1 9 . 1 1 69 69 ARG H H 69 8.550 8.550 8.123 0.427 25763 2840 1 9 . 1 1 70 70 ASP C C 70 176.000 176.000 175.784 0.216 25763 2841 1 9 . 1 1 70 70 ASP CA C 70 55.600 55.600 54.723 0.877 25763 2842 1 9 . 1 1 70 70 ASP CB C 70 41.000 41.000 40.389 0.611 25763 2843 1 9 . 1 1 71 71 LYS N N 71 121.200 121.200 124.105 -2.905 25763 2844 1 9 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.513 -0.293 25763 2845 1 9 . 1 1 71 71 LYS C C 71 177.500 177.500 174.459 3.041 25763 2846 1 9 . 1 1 71 71 LYS CA C 71 57.100 57.100 54.856 2.244 25763 2847 1 9 . 1 1 71 71 LYS CB C 71 32.600 32.600 34.077 -1.477 25763 2848 1 9 . 1 1 71 71 LYS H H 71 8.260 8.260 8.127 0.133 25763 2849 1 9 . 1 1 72 72 LEU N N 72 121.600 121.600 121.032 0.568 25763 2850 1 9 . 1 1 72 72 LEU CA C 72 55.300 55.300 55.186 0.114 25763 2851 1 9 . 1 1 72 72 LEU CB C 72 42.100 42.100 42.497 -0.397 25763 2852 1 9 . 1 1 72 72 LEU H H 72 8.330 8.330 8.425 -0.095 25763 2853 1 9 . 1 1 73 73 ALA N N 73 123.900 123.900 121.170 2.730 25763 2854 1 9 . 1 1 73 73 ALA HA H 73 4.410 4.410 3.843 0.567 25763 2855 1 9 . 1 1 73 73 ALA C C 73 177.900 177.900 178.207 -0.307 25763 2856 1 9 . 1 1 73 73 ALA CA C 73 52.500 52.500 53.497 -0.997 25763 2857 1 9 . 1 1 73 73 ALA CB C 73 18.800 18.800 17.398 1.403 25763 2858 1 9 . 1 1 73 73 ALA H H 73 8.250 8.250 7.879 0.371 25763 2859 1 9 . 1 1 74 74 THR N N 74 112.000 112.000 111.872 0.128 25763 2860 1 9 . 1 1 74 74 THR HA H 74 4.400 4.400 4.000 0.400 25763 2861 1 9 . 1 1 74 74 THR C C 74 175.200 175.200 176.114 -0.914 25763 2862 1 9 . 1 1 74 74 THR CA C 74 61.700 61.700 64.149 -2.449 25763 2863 1 9 . 1 1 74 74 THR CB C 74 69.700 69.700 68.507 1.194 25763 2864 1 9 . 1 1 74 74 THR H H 74 8.160 8.160 8.305 -0.145 25763 2865 1 9 . 1 1 75 75 GLY N N 75 110.600 110.600 108.298 2.302 25763 2866 1 9 . 1 1 75 75 GLY C C 75 174.100 174.100 174.213 -0.113 25763 2867 1 9 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.446 0.954 25763 2868 1 9 . 1 1 75 75 GLY H H 75 8.540 8.540 8.319 0.221 25763 2869 1 9 . 1 1 76 76 ARG N N 76 120.100 120.100 121.165 -1.065 25763 2870 1 9 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.486 -0.116 25763 2871 1 9 . 1 1 76 76 ARG C C 76 176.600 176.600 175.744 0.856 25763 2872 1 9 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.630 0.369 25763 2873 1 9 . 1 1 76 76 ARG CB C 76 30.400 30.400 28.684 1.716 25763 2874 1 9 . 1 1 76 76 ARG H H 76 8.340 8.340 7.656 0.684 25763 2875 1 9 . 1 1 77 77 GLY N N 77 109.400 109.400 113.115 -3.715 25763 2876 1 9 . 1 1 77 77 GLY C C 77 173.800 173.800 173.544 0.256 25763 2877 1 9 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.444 -0.544 25763 2878 1 9 . 1 1 77 77 GLY H H 77 8.560 8.560 8.340 0.220 25763 2879 1 9 . 1 1 78 78 PHE N N 78 119.200 119.200 121.510 -2.310 25763 2880 1 9 . 1 1 78 78 PHE C C 78 175.500 175.500 173.901 1.599 25763 2881 1 9 . 1 1 78 78 PHE CA C 78 57.800 57.800 56.942 0.858 25763 2882 1 9 . 1 1 78 78 PHE CB C 78 39.300 39.300 41.661 -2.361 25763 2883 1 9 . 1 1 78 78 PHE H H 78 8.270 8.270 8.098 0.172 25763 2884 1 9 . 1 1 79 79 ASP N N 79 121.400 121.400 127.428 -6.028 25763 2885 1 9 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.647 -0.017 25763 2886 1 9 . 1 1 79 79 ASP C C 79 175.000 175.000 174.118 0.882 25763 2887 1 9 . 1 1 79 79 ASP CA C 79 54.300 54.300 53.794 0.506 25763 2888 1 9 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.728 -1.028 25763 2889 1 9 . 1 1 79 79 ASP H H 79 8.540 8.540 7.923 0.617 25763 2890 1 10 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.303 -8.803 25763 2891 1 10 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.844 -0.644 25763 2892 1 10 . 1 1 3 3 GLY N N 3 109.800 109.800 110.685 -0.885 25763 2893 1 10 . 1 1 3 3 GLY C C 3 174.100 174.100 174.568 -0.468 25763 2894 1 10 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.642 0.458 25763 2895 1 10 . 1 1 3 3 GLY H H 3 8.800 8.800 8.528 0.272 25763 2896 1 10 . 1 1 4 4 SER N N 4 115.200 115.200 119.363 -4.163 25763 2897 1 10 . 1 1 4 4 SER HA H 4 4.510 4.510 4.599 -0.089 25763 2898 1 10 . 1 1 4 4 SER C C 4 174.400 174.400 175.193 -0.793 25763 2899 1 10 . 1 1 4 4 SER CA C 4 58.200 58.200 57.861 0.339 25763 2900 1 10 . 1 1 4 4 SER CB C 4 63.500 63.500 64.467 -0.967 25763 2901 1 10 . 1 1 4 4 SER H H 4 8.280 8.280 7.817 0.463 25763 2902 1 10 . 1 1 5 5 MET HA H 5 4.200 4.200 4.404 -0.204 25763 2903 1 10 . 1 1 5 5 MET C C 5 175.800 175.800 176.318 -0.518 25763 2904 1 10 . 1 1 5 5 MET CA C 5 61.900 61.900 57.032 4.868 25763 2905 1 10 . 1 1 5 5 MET CB C 5 32.900 32.900 32.683 0.217 25763 2906 1 10 . 1 1 6 6 SER N N 6 119.700 119.700 115.566 4.134 25763 2907 1 10 . 1 1 6 6 SER HA H 6 4.550 4.550 4.703 -0.153 25763 2908 1 10 . 1 1 6 6 SER C C 6 174.100 174.100 174.285 -0.185 25763 2909 1 10 . 1 1 6 6 SER CA C 6 57.700 57.700 57.840 -0.140 25763 2910 1 10 . 1 1 6 6 SER CB C 6 63.500 63.500 63.789 -0.289 25763 2911 1 10 . 1 1 6 6 SER H H 6 8.530 8.530 7.995 0.535 25763 2912 1 10 . 1 1 7 7 ILE N N 7 122.400 122.400 125.155 -2.755 25763 2913 1 10 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.261 -0.021 25763 2914 1 10 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.215 0.285 25763 2915 1 10 . 1 1 7 7 ILE CB C 7 38.800 38.800 38.241 0.559 25763 2916 1 10 . 1 1 7 7 ILE H H 7 8.360 8.360 8.552 -0.192 25763 2917 1 10 . 1 1 8 8 ASN N N 8 123.600 123.600 124.200 -0.600 25763 2918 1 10 . 1 1 8 8 ASN CA C 8 51.000 51.000 53.599 -2.599 25763 2919 1 10 . 1 1 8 8 ASN CB C 8 38.800 38.800 37.430 1.370 25763 2920 1 10 . 1 1 8 8 ASN H H 8 8.700 8.700 8.747 -0.047 25763 2921 1 10 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.390 0.230 25763 2922 1 10 . 1 1 13 13 ASP C C 13 176.800 176.800 177.194 -0.394 25763 2923 1 10 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.233 -0.533 25763 2924 1 10 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.020 -0.120 25763 2925 1 10 . 1 1 14 14 ASN N N 14 117.700 117.700 116.277 1.423 25763 2926 1 10 . 1 1 14 14 ASN C C 14 175.600 175.600 176.334 -0.734 25763 2927 1 10 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.943 -0.643 25763 2928 1 10 . 1 1 14 14 ASN CB C 14 39.100 39.100 37.492 1.608 25763 2929 1 10 . 1 1 14 14 ASN H H 14 8.720 8.720 8.502 0.218 25763 2930 1 10 . 1 1 15 15 GLY N N 15 107.500 107.500 106.854 0.646 25763 2931 1 10 . 1 1 15 15 GLY C C 15 172.600 172.600 174.094 -1.494 25763 2932 1 10 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.679 0.421 25763 2933 1 10 . 1 1 15 15 GLY H H 15 8.160 8.160 7.790 0.370 25763 2934 1 10 . 1 1 16 16 SER N N 16 114.000 114.000 117.492 -3.492 25763 2935 1 10 . 1 1 16 16 SER HA H 16 4.710 4.710 4.478 0.232 25763 2936 1 10 . 1 1 16 16 SER C C 16 174.100 174.100 174.774 -0.674 25763 2937 1 10 . 1 1 16 16 SER CA C 16 57.300 57.300 58.901 -1.601 25763 2938 1 10 . 1 1 16 16 SER CB C 16 64.200 64.200 63.499 0.701 25763 2939 1 10 . 1 1 16 16 SER H H 16 7.780 7.780 7.696 0.084 25763 2940 1 10 . 1 1 17 17 PHE N N 17 123.000 123.000 123.267 -0.267 25763 2941 1 10 . 1 1 17 17 PHE CA C 17 57.700 57.700 57.326 0.374 25763 2942 1 10 . 1 1 17 17 PHE CB C 17 46.000 46.000 39.482 6.518 25763 2943 1 10 . 1 1 17 17 PHE H H 17 9.570 9.570 8.173 1.397 25763 2944 1 10 . 1 1 18 18 PHE N N 18 114.900 114.900 115.648 -0.748 25763 2945 1 10 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.534 1.226 25763 2946 1 10 . 1 1 18 18 PHE C C 18 177.000 177.000 173.237 3.763 25763 2947 1 10 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.270 0.130 25763 2948 1 10 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.716 2.484 25763 2949 1 10 . 1 1 18 18 PHE H H 18 9.680 9.680 7.100 2.580 25763 2950 1 10 . 1 1 19 19 VAL N N 19 117.000 117.000 120.610 -3.610 25763 2951 1 10 . 1 1 19 19 VAL C C 19 175.000 175.000 173.898 1.102 25763 2952 1 10 . 1 1 19 19 VAL CA C 19 62.400 62.400 60.621 1.778 25763 2953 1 10 . 1 1 19 19 VAL CB C 19 33.000 33.000 34.776 -1.776 25763 2954 1 10 . 1 1 19 19 VAL H H 19 8.720 8.720 8.601 0.119 25763 2955 1 10 . 1 1 20 20 LEU N N 20 126.400 126.400 128.681 -2.281 25763 2956 1 10 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.950 0.920 25763 2957 1 10 . 1 1 20 20 LEU C C 20 176.800 176.800 174.392 2.408 25763 2958 1 10 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.086 -1.086 25763 2959 1 10 . 1 1 20 20 LEU H H 20 9.490 9.490 9.291 0.199 25763 2960 1 10 . 1 1 21 21 VAL N N 21 114.200 114.200 124.490 -10.290 25763 2961 1 10 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.269 0.471 25763 2962 1 10 . 1 1 21 21 VAL C C 21 174.600 174.600 174.756 -0.156 25763 2963 1 10 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.625 -1.525 25763 2964 1 10 . 1 1 21 21 VAL H H 21 9.210 9.210 9.144 0.066 25763 2965 1 10 . 1 1 22 22 ASN N N 22 121.000 121.000 125.742 -4.742 25763 2966 1 10 . 1 1 22 22 ASN C C 22 177.500 177.500 176.183 1.317 25763 2967 1 10 . 1 1 22 22 ASN CA C 22 49.600 49.600 51.976 -2.376 25763 2968 1 10 . 1 1 22 22 ASN H H 22 7.390 7.390 8.472 -1.082 25763 2969 1 10 . 1 1 23 23 ASP N N 23 117.600 117.600 121.886 -4.286 25763 2970 1 10 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.355 0.145 25763 2971 1 10 . 1 1 23 23 ASP C C 23 176.500 176.500 176.995 -0.495 25763 2972 1 10 . 1 1 23 23 ASP CA C 23 56.100 56.100 57.300 -1.200 25763 2973 1 10 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.019 -1.319 25763 2974 1 10 . 1 1 23 23 ASP H H 23 8.380 8.380 8.952 -0.572 25763 2975 1 10 . 1 1 24 24 GLU N N 24 117.900 117.900 117.997 -0.097 25763 2976 1 10 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.237 0.203 25763 2977 1 10 . 1 1 24 24 GLU C C 24 175.100 175.100 175.800 -0.700 25763 2978 1 10 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.416 -1.016 25763 2979 1 10 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.097 0.003 25763 2980 1 10 . 1 1 24 24 GLU H H 24 7.300 7.300 8.504 -1.204 25763 2981 1 10 . 1 1 25 25 GLU N N 25 113.000 113.000 114.573 -1.573 25763 2982 1 10 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.995 -0.165 25763 2983 1 10 . 1 1 25 25 GLU C C 25 175.900 175.900 174.898 1.002 25763 2984 1 10 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.116 0.584 25763 2985 1 10 . 1 1 25 25 GLU CB C 25 26.500 26.500 26.901 -0.401 25763 2986 1 10 . 1 1 25 25 GLU H H 25 8.120 8.120 8.107 0.013 25763 2987 1 10 . 1 1 26 26 GLN N N 26 117.100 117.100 117.864 -0.764 25763 2988 1 10 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.181 0.189 25763 2989 1 10 . 1 1 26 26 GLN CA C 26 54.600 54.600 55.913 -1.313 25763 2990 1 10 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.240 0.160 25763 2991 1 10 . 1 1 26 26 GLN H H 26 7.770 7.770 7.737 0.033 25763 2992 1 10 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.565 0.555 25763 2993 1 10 . 1 1 27 27 HIS C C 27 174.100 174.100 174.571 -0.471 25763 2994 1 10 . 1 1 27 27 HIS CA C 27 53.900 53.900 54.475 -0.575 25763 2995 1 10 . 1 1 28 28 SER N N 28 111.900 111.900 118.894 -6.994 25763 2996 1 10 . 1 1 28 28 SER C C 28 173.200 173.200 172.415 0.785 25763 2997 1 10 . 1 1 28 28 SER CA C 28 57.700 57.700 57.766 -0.066 25763 2998 1 10 . 1 1 28 28 SER H H 28 8.830 8.830 9.160 -0.330 25763 2999 1 10 . 1 1 29 29 LEU N N 29 126.000 126.000 117.740 8.260 25763 3000 1 10 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.763 0.547 25763 3001 1 10 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.428 1.772 25763 3002 1 10 . 1 1 29 29 LEU H H 29 8.840 8.840 8.221 0.619 25763 3003 1 10 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.401 0.669 25763 3004 1 10 . 1 1 31 31 PRO C C 31 176.300 176.300 176.363 -0.063 25763 3005 1 10 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.687 -0.687 25763 3006 1 10 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.438 0.562 25763 3007 1 10 . 1 1 32 32 ALA N N 32 121.500 121.500 126.290 -4.790 25763 3008 1 10 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.643 0.217 25763 3009 1 10 . 1 1 32 32 ALA C C 32 177.600 177.600 177.134 0.466 25763 3010 1 10 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.024 0.476 25763 3011 1 10 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.899 -0.299 25763 3012 1 10 . 1 1 32 32 ALA H H 32 7.940 7.940 7.919 0.021 25763 3013 1 10 . 1 1 33 33 PHE N N 33 111.800 111.800 116.299 -4.499 25763 3014 1 10 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.574 -0.034 25763 3015 1 10 . 1 1 33 33 PHE C C 33 174.700 174.700 174.813 -0.113 25763 3016 1 10 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.381 -0.981 25763 3017 1 10 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.007 -1.507 25763 3018 1 10 . 1 1 33 33 PHE H H 33 6.970 6.970 7.709 -0.739 25763 3019 1 10 . 1 1 34 34 ALA N N 34 125.700 125.700 122.470 3.230 25763 3020 1 10 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.589 0.041 25763 3021 1 10 . 1 1 34 34 ALA C C 34 177.700 177.700 175.524 2.176 25763 3022 1 10 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.310 -1.010 25763 3023 1 10 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.346 -1.146 25763 3024 1 10 . 1 1 34 34 ALA H H 34 7.080 7.080 7.507 -0.427 25763 3025 1 10 . 1 1 35 35 ASP N N 35 124.700 124.700 120.583 4.117 25763 3026 1 10 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.772 -0.272 25763 3027 1 10 . 1 1 35 35 ASP C C 35 176.400 176.400 175.452 0.948 25763 3028 1 10 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.616 0.384 25763 3029 1 10 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.433 -1.333 25763 3030 1 10 . 1 1 35 35 ASP H H 35 8.960 8.960 8.470 0.490 25763 3031 1 10 . 1 1 36 36 VAL N N 36 125.800 125.800 125.697 0.103 25763 3032 1 10 . 1 1 36 36 VAL CA C 36 61.300 61.300 58.765 2.535 25763 3033 1 10 . 1 1 36 36 VAL CB C 36 32.100 32.100 33.354 -1.254 25763 3034 1 10 . 1 1 36 36 VAL H H 36 8.700 8.700 8.431 0.269 25763 3035 1 10 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.546 -0.276 25763 3036 1 10 . 1 1 37 37 PRO C C 37 175.600 175.600 176.279 -0.679 25763 3037 1 10 . 1 1 37 37 PRO CA C 37 62.100 62.100 63.061 -0.961 25763 3038 1 10 . 1 1 37 37 PRO CB C 37 31.400 31.400 31.087 0.313 25763 3039 1 10 . 1 1 38 38 ALA N N 38 122.800 122.800 127.067 -4.267 25763 3040 1 10 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.189 1.041 25763 3041 1 10 . 1 1 38 38 ALA C C 38 179.100 179.100 178.241 0.859 25763 3042 1 10 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.966 0.234 25763 3043 1 10 . 1 1 38 38 ALA CB C 38 18.100 18.100 18.939 -0.839 25763 3044 1 10 . 1 1 38 38 ALA H H 38 8.380 8.380 8.237 0.143 25763 3045 1 10 . 1 1 39 39 GLY N N 39 110.000 110.000 107.765 2.235 25763 3046 1 10 . 1 1 39 39 GLY C C 39 173.800 173.800 173.465 0.335 25763 3047 1 10 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.496 0.104 25763 3048 1 10 . 1 1 39 39 GLY H H 39 8.880 8.880 8.037 0.843 25763 3049 1 10 . 1 1 40 40 TRP N N 40 120.300 120.300 119.441 0.859 25763 3050 1 10 . 1 1 40 40 TRP C C 40 174.800 174.800 175.564 -0.764 25763 3051 1 10 . 1 1 40 40 TRP CA C 40 56.100 56.100 55.697 0.403 25763 3052 1 10 . 1 1 40 40 TRP CB C 40 31.600 31.600 30.073 1.527 25763 3053 1 10 . 1 1 40 40 TRP H H 40 7.810 7.810 6.404 1.406 25763 3054 1 10 . 1 1 41 41 ARG N N 41 117.800 117.800 119.297 -1.497 25763 3055 1 10 . 1 1 41 41 ARG C C 41 174.700 174.700 174.697 0.003 25763 3056 1 10 . 1 1 41 41 ARG CA C 41 54.000 54.000 55.166 -1.166 25763 3057 1 10 . 1 1 41 41 ARG CB C 41 32.900 32.900 33.418 -0.518 25763 3058 1 10 . 1 1 41 41 ARG H H 41 9.260 9.260 9.128 0.132 25763 3059 1 10 . 1 1 42 42 VAL N N 42 122.400 122.400 125.506 -3.106 25763 3060 1 10 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.074 0.016 25763 3061 1 10 . 1 1 42 42 VAL C C 42 177.900 177.900 175.009 2.891 25763 3062 1 10 . 1 1 42 42 VAL CA C 42 63.300 63.300 61.594 1.706 25763 3063 1 10 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.444 -0.244 25763 3064 1 10 . 1 1 42 42 VAL H H 42 8.790 8.790 8.951 -0.161 25763 3065 1 10 . 1 1 43 43 VAL N N 43 119.100 119.100 127.705 -8.605 25763 3066 1 10 . 1 1 43 43 VAL HA H 43 4.790 4.790 3.988 0.802 25763 3067 1 10 . 1 1 43 43 VAL C C 43 174.700 174.700 176.098 -1.398 25763 3068 1 10 . 1 1 43 43 VAL CA C 43 60.600 60.600 64.724 -4.124 25763 3069 1 10 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.450 1.250 25763 3070 1 10 . 1 1 43 43 VAL H H 43 9.140 9.140 8.725 0.415 25763 3071 1 10 . 1 1 44 44 HIS N N 44 119.200 119.200 115.867 3.333 25763 3072 1 10 . 1 1 44 44 HIS HA H 44 4.550 4.550 5.002 -0.452 25763 3073 1 10 . 1 1 44 44 HIS C C 44 173.400 173.400 174.858 -1.458 25763 3074 1 10 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.169 2.231 25763 3075 1 10 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.533 -0.833 25763 3076 1 10 . 1 1 44 44 HIS H H 44 7.720 7.720 7.814 -0.094 25763 3077 1 10 . 1 1 45 45 GLY N N 45 111.800 111.800 110.380 1.420 25763 3078 1 10 . 1 1 45 45 GLY C C 45 174.600 174.600 174.123 0.477 25763 3079 1 10 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.733 -2.633 25763 3080 1 10 . 1 1 45 45 GLY H H 45 7.680 7.680 8.294 -0.614 25763 3081 1 10 . 1 1 46 46 GLU N N 46 121.400 121.400 117.011 4.389 25763 3082 1 10 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.547 0.643 25763 3083 1 10 . 1 1 46 46 GLU C C 46 175.200 175.200 175.559 -0.359 25763 3084 1 10 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.066 -0.066 25763 3085 1 10 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.038 1.361 25763 3086 1 10 . 1 1 46 46 GLU H H 46 8.680 8.680 8.523 0.157 25763 3087 1 10 . 1 1 47 47 ALA N N 47 126.700 126.700 124.715 1.985 25763 3088 1 10 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.489 0.311 25763 3089 1 10 . 1 1 47 47 ALA C C 47 174.900 174.900 176.038 -1.138 25763 3090 1 10 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.174 -0.174 25763 3091 1 10 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.403 0.597 25763 3092 1 10 . 1 1 47 47 ALA H H 47 9.430 9.430 7.920 1.510 25763 3093 1 10 . 1 1 48 48 ASP N N 48 117.400 117.400 119.284 -1.884 25763 3094 1 10 . 1 1 48 48 ASP C C 48 175.800 175.800 177.246 -1.446 25763 3095 1 10 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.560 0.240 25763 3096 1 10 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.329 -1.429 25763 3097 1 10 . 1 1 48 48 ASP H H 48 8.560 8.560 8.491 0.069 25763 3098 1 10 . 1 1 49 49 ARG N N 49 121.500 121.500 120.902 0.598 25763 3099 1 10 . 1 1 49 49 ARG HA H 49 3.360 3.360 4.021 -0.661 25763 3100 1 10 . 1 1 49 49 ARG C C 49 179.000 179.000 177.991 1.009 25763 3101 1 10 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.484 1.416 25763 3102 1 10 . 1 1 49 49 ARG H H 49 9.310 9.310 8.773 0.537 25763 3103 1 10 . 1 1 50 50 ALA N N 50 119.000 119.000 120.904 -1.904 25763 3104 1 10 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.050 0.020 25763 3105 1 10 . 1 1 50 50 ALA C C 50 180.500 180.500 179.159 1.341 25763 3106 1 10 . 1 1 50 50 ALA CA C 50 55.200 55.200 55.117 0.083 25763 3107 1 10 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.967 -0.267 25763 3108 1 10 . 1 1 50 50 ALA H H 50 8.620 8.620 8.494 0.126 25763 3109 1 10 . 1 1 51 51 ALA N N 51 121.700 121.700 121.618 0.082 25763 3110 1 10 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.412 -0.082 25763 3111 1 10 . 1 1 51 51 ALA C C 51 182.300 182.300 179.765 2.535 25763 3112 1 10 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.648 -0.048 25763 3113 1 10 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.103 0.697 25763 3114 1 10 . 1 1 51 51 ALA H H 51 8.340 8.340 7.739 0.601 25763 3115 1 10 . 1 1 52 52 CYS N N 52 117.900 117.900 117.624 0.276 25763 3116 1 10 . 1 1 52 52 CYS HA H 52 4.140 4.140 3.881 0.259 25763 3117 1 10 . 1 1 52 52 CYS C C 52 176.800 176.800 176.371 0.429 25763 3118 1 10 . 1 1 52 52 CYS CA C 52 64.500 64.500 61.911 2.589 25763 3119 1 10 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.648 0.452 25763 3120 1 10 . 1 1 52 52 CYS H H 52 8.300 8.300 7.936 0.364 25763 3121 1 10 . 1 1 53 53 LEU N N 53 120.600 120.600 119.451 1.149 25763 3122 1 10 . 1 1 53 53 LEU HA H 53 4.170 4.170 4.099 0.071 25763 3123 1 10 . 1 1 53 53 LEU C C 53 179.900 179.900 179.485 0.415 25763 3124 1 10 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.799 0.301 25763 3125 1 10 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.891 -1.391 25763 3126 1 10 . 1 1 53 53 LEU H H 53 8.780 8.780 8.156 0.624 25763 3127 1 10 . 1 1 54 54 GLU N N 54 120.600 120.600 119.206 1.394 25763 3128 1 10 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.971 0.149 25763 3129 1 10 . 1 1 54 54 GLU C C 54 178.300 178.300 178.860 -0.560 25763 3130 1 10 . 1 1 54 54 GLU CA C 54 59.300 59.300 58.692 0.608 25763 3131 1 10 . 1 1 54 54 GLU CB C 54 29.400 29.400 28.756 0.644 25763 3132 1 10 . 1 1 54 54 GLU H H 54 8.350 8.350 8.550 -0.200 25763 3133 1 10 . 1 1 55 55 TYR N N 55 120.800 120.800 120.454 0.346 25763 3134 1 10 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.031 0.119 25763 3135 1 10 . 1 1 55 55 TYR CA C 55 61.700 61.700 59.994 1.706 25763 3136 1 10 . 1 1 55 55 TYR CB C 55 37.600 37.600 36.515 1.085 25763 3137 1 10 . 1 1 55 55 TYR H H 55 7.890 7.890 8.055 -0.165 25763 3138 1 10 . 1 1 56 56 ILE C C 56 176.700 176.700 177.028 -0.328 25763 3139 1 10 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.776 0.424 25763 3140 1 10 . 1 1 57 57 GLU N N 57 119.400 119.400 118.275 1.125 25763 3141 1 10 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.076 -0.046 25763 3142 1 10 . 1 1 57 57 GLU C C 57 177.700 177.700 178.258 -0.558 25763 3143 1 10 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.445 0.055 25763 3144 1 10 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.602 -0.702 25763 3145 1 10 . 1 1 57 57 GLU H H 57 8.290 8.290 7.754 0.536 25763 3146 1 10 . 1 1 58 58 GLU N N 58 115.000 115.000 117.225 -2.225 25763 3147 1 10 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.168 -0.288 25763 3148 1 10 . 1 1 58 58 GLU C C 58 177.600 177.600 177.329 0.271 25763 3149 1 10 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.791 -0.091 25763 3150 1 10 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.395 -0.995 25763 3151 1 10 . 1 1 58 58 GLU H H 58 7.780 7.780 7.834 -0.054 25763 3152 1 10 . 1 1 59 59 HIS N N 59 113.700 113.700 117.053 -3.353 25763 3153 1 10 . 1 1 59 59 HIS CA C 59 58.400 58.400 58.711 -0.311 25763 3154 1 10 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.748 -0.748 25763 3155 1 10 . 1 1 59 59 HIS H H 59 7.420 7.420 8.318 -0.898 25763 3156 1 10 . 1 1 63 63 ILE CB C 63 38.600 38.600 39.373 -0.773 25763 3157 1 10 . 1 1 68 68 LEU CA C 68 55.700 55.700 56.385 -0.685 25763 3158 1 10 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.182 -0.082 25763 3159 1 10 . 1 1 69 69 ARG N N 69 121.100 121.100 120.100 1.000 25763 3160 1 10 . 1 1 69 69 ARG H H 69 8.550 8.550 7.635 0.915 25763 3161 1 10 . 1 1 70 70 ASP C C 70 176.000 176.000 175.587 0.413 25763 3162 1 10 . 1 1 70 70 ASP CA C 70 55.600 55.600 55.367 0.233 25763 3163 1 10 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.361 -0.361 25763 3164 1 10 . 1 1 71 71 LYS N N 71 121.200 121.200 125.355 -4.155 25763 3165 1 10 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.250 -0.030 25763 3166 1 10 . 1 1 71 71 LYS C C 71 177.500 177.500 175.236 2.264 25763 3167 1 10 . 1 1 71 71 LYS CA C 71 57.100 57.100 56.605 0.495 25763 3168 1 10 . 1 1 71 71 LYS CB C 71 32.600 32.600 30.750 1.850 25763 3169 1 10 . 1 1 71 71 LYS H H 71 8.260 8.260 8.829 -0.569 25763 3170 1 10 . 1 1 72 72 LEU N N 72 121.600 121.600 119.990 1.610 25763 3171 1 10 . 1 1 72 72 LEU CA C 72 55.300 55.300 55.945 -0.645 25763 3172 1 10 . 1 1 72 72 LEU CB C 72 42.100 42.100 43.695 -1.595 25763 3173 1 10 . 1 1 72 72 LEU H H 72 8.330 8.330 8.246 0.084 25763 3174 1 10 . 1 1 73 73 ALA N N 73 123.900 123.900 121.459 2.441 25763 3175 1 10 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.593 -0.183 25763 3176 1 10 . 1 1 73 73 ALA C C 73 177.900 177.900 175.895 2.005 25763 3177 1 10 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.713 0.787 25763 3178 1 10 . 1 1 73 73 ALA CB C 73 18.800 18.800 20.326 -1.526 25763 3179 1 10 . 1 1 73 73 ALA H H 73 8.250 8.250 7.484 0.765 25763 3180 1 10 . 1 1 74 74 THR N N 74 112.000 112.000 111.969 0.031 25763 3181 1 10 . 1 1 74 74 THR HA H 74 4.400 4.400 4.632 -0.232 25763 3182 1 10 . 1 1 74 74 THR C C 74 175.200 175.200 175.213 -0.013 25763 3183 1 10 . 1 1 74 74 THR CA C 74 61.700 61.700 62.099 -0.398 25763 3184 1 10 . 1 1 74 74 THR CB C 74 69.700 69.700 71.052 -1.352 25763 3185 1 10 . 1 1 74 74 THR H H 74 8.160 8.160 8.272 -0.112 25763 3186 1 10 . 1 1 75 75 GLY N N 75 110.600 110.600 110.209 0.391 25763 3187 1 10 . 1 1 75 75 GLY C C 75 174.100 174.100 172.708 1.392 25763 3188 1 10 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.710 0.690 25763 3189 1 10 . 1 1 75 75 GLY H H 75 8.540 8.540 7.916 0.624 25763 3190 1 10 . 1 1 76 76 ARG N N 76 120.100 120.100 118.975 1.125 25763 3191 1 10 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.647 -0.277 25763 3192 1 10 . 1 1 76 76 ARG C C 76 176.600 176.600 175.234 1.366 25763 3193 1 10 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.383 0.617 25763 3194 1 10 . 1 1 76 76 ARG CB C 76 30.400 30.400 31.676 -1.276 25763 3195 1 10 . 1 1 76 76 ARG H H 76 8.340 8.340 8.514 -0.174 25763 3196 1 10 . 1 1 77 77 GLY N N 77 109.400 109.400 110.271 -0.871 25763 3197 1 10 . 1 1 77 77 GLY C C 77 173.800 173.800 172.882 0.918 25763 3198 1 10 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.169 -0.269 25763 3199 1 10 . 1 1 77 77 GLY H H 77 8.560 8.560 8.362 0.198 25763 3200 1 10 . 1 1 78 78 PHE N N 78 119.200 119.200 122.301 -3.101 25763 3201 1 10 . 1 1 78 78 PHE C C 78 175.500 175.500 175.210 0.290 25763 3202 1 10 . 1 1 78 78 PHE CA C 78 57.800 57.800 58.289 -0.489 25763 3203 1 10 . 1 1 78 78 PHE CB C 78 39.300 39.300 41.444 -2.143 25763 3204 1 10 . 1 1 78 78 PHE H H 78 8.270 8.270 8.865 -0.595 25763 3205 1 10 . 1 1 79 79 ASP N N 79 121.400 121.400 119.656 1.744 25763 3206 1 10 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.033 0.597 25763 3207 1 10 . 1 1 79 79 ASP C C 79 175.000 175.000 174.844 0.156 25763 3208 1 10 . 1 1 79 79 ASP CA C 79 54.300 54.300 55.462 -1.162 25763 3209 1 10 . 1 1 79 79 ASP CB C 79 40.700 40.700 39.800 0.900 25763 3210 1 10 . 1 1 79 79 ASP H H 79 8.540 8.540 7.404 1.136 25763 3211 1 11 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.665 -9.165 25763 3212 1 11 . 1 1 2 2 PRO CB C 2 32.200 32.200 31.282 0.918 25763 3213 1 11 . 1 1 3 3 GLY N N 3 109.800 109.800 112.434 -2.634 25763 3214 1 11 . 1 1 3 3 GLY C C 3 174.100 174.100 174.490 -0.390 25763 3215 1 11 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.897 0.203 25763 3216 1 11 . 1 1 3 3 GLY H H 3 8.800 8.800 8.160 0.640 25763 3217 1 11 . 1 1 4 4 SER N N 4 115.200 115.200 120.955 -5.755 25763 3218 1 11 . 1 1 4 4 SER HA H 4 4.510 4.510 4.332 0.178 25763 3219 1 11 . 1 1 4 4 SER C C 4 174.400 174.400 175.770 -1.370 25763 3220 1 11 . 1 1 4 4 SER CA C 4 58.200 58.200 58.084 0.116 25763 3221 1 11 . 1 1 4 4 SER CB C 4 63.500 63.500 64.159 -0.659 25763 3222 1 11 . 1 1 4 4 SER H H 4 8.280 8.280 8.171 0.109 25763 3223 1 11 . 1 1 5 5 MET HA H 5 4.200 4.200 4.240 -0.040 25763 3224 1 11 . 1 1 5 5 MET C C 5 175.800 175.800 176.260 -0.460 25763 3225 1 11 . 1 1 5 5 MET CA C 5 61.900 61.900 57.369 4.531 25763 3226 1 11 . 1 1 5 5 MET CB C 5 32.900 32.900 33.290 -0.390 25763 3227 1 11 . 1 1 6 6 SER N N 6 119.700 119.700 109.710 9.990 25763 3228 1 11 . 1 1 6 6 SER HA H 6 4.550 4.550 4.624 -0.074 25763 3229 1 11 . 1 1 6 6 SER C C 6 174.100 174.100 172.961 1.139 25763 3230 1 11 . 1 1 6 6 SER CA C 6 57.700 57.700 57.739 -0.039 25763 3231 1 11 . 1 1 6 6 SER CB C 6 63.500 63.500 63.416 0.084 25763 3232 1 11 . 1 1 6 6 SER H H 6 8.530 8.530 7.821 0.709 25763 3233 1 11 . 1 1 7 7 ILE N N 7 122.400 122.400 122.555 -0.155 25763 3234 1 11 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.389 -0.149 25763 3235 1 11 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.590 -0.090 25763 3236 1 11 . 1 1 7 7 ILE CB C 7 38.800 38.800 40.428 -1.628 25763 3237 1 11 . 1 1 7 7 ILE H H 7 8.360 8.360 8.135 0.225 25763 3238 1 11 . 1 1 8 8 ASN N N 8 123.600 123.600 122.802 0.798 25763 3239 1 11 . 1 1 8 8 ASN CA C 8 51.000 51.000 52.698 -1.698 25763 3240 1 11 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.359 -0.559 25763 3241 1 11 . 1 1 8 8 ASN H H 8 8.700 8.700 8.495 0.205 25763 3242 1 11 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.211 0.409 25763 3243 1 11 . 1 1 13 13 ASP C C 13 176.800 176.800 176.847 -0.047 25763 3244 1 11 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.760 -1.060 25763 3245 1 11 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.581 0.319 25763 3246 1 11 . 1 1 14 14 ASN N N 14 117.700 117.700 115.371 2.329 25763 3247 1 11 . 1 1 14 14 ASN C C 14 175.600 175.600 176.326 -0.726 25763 3248 1 11 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.196 0.104 25763 3249 1 11 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.132 0.968 25763 3250 1 11 . 1 1 14 14 ASN H H 14 8.720 8.720 8.019 0.701 25763 3251 1 11 . 1 1 15 15 GLY N N 15 107.500 107.500 109.221 -1.721 25763 3252 1 11 . 1 1 15 15 GLY C C 15 172.600 172.600 174.787 -2.187 25763 3253 1 11 . 1 1 15 15 GLY CA C 15 45.100 45.100 47.143 -2.043 25763 3254 1 11 . 1 1 15 15 GLY H H 15 8.160 8.160 7.918 0.242 25763 3255 1 11 . 1 1 16 16 SER N N 16 114.000 114.000 116.464 -2.464 25763 3256 1 11 . 1 1 16 16 SER HA H 16 4.710 4.710 4.905 -0.195 25763 3257 1 11 . 1 1 16 16 SER C C 16 174.100 174.100 172.439 1.661 25763 3258 1 11 . 1 1 16 16 SER CA C 16 57.300 57.300 57.361 -0.061 25763 3259 1 11 . 1 1 16 16 SER CB C 16 64.200 64.200 62.563 1.637 25763 3260 1 11 . 1 1 16 16 SER H H 16 7.780 7.780 8.353 -0.573 25763 3261 1 11 . 1 1 17 17 PHE N N 17 123.000 123.000 119.974 3.026 25763 3262 1 11 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.434 -0.734 25763 3263 1 11 . 1 1 17 17 PHE CB C 17 46.000 46.000 41.917 4.083 25763 3264 1 11 . 1 1 17 17 PHE H H 17 9.570 9.570 8.076 1.494 25763 3265 1 11 . 1 1 18 18 PHE N N 18 114.900 114.900 122.145 -7.245 25763 3266 1 11 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.141 0.620 25763 3267 1 11 . 1 1 18 18 PHE C C 18 177.000 177.000 172.461 4.539 25763 3268 1 11 . 1 1 18 18 PHE CA C 18 55.400 55.400 56.830 -1.430 25763 3269 1 11 . 1 1 18 18 PHE CB C 18 44.200 44.200 42.685 1.515 25763 3270 1 11 . 1 1 18 18 PHE H H 18 9.680 9.680 8.081 1.599 25763 3271 1 11 . 1 1 19 19 VAL N N 19 117.000 117.000 122.651 -5.651 25763 3272 1 11 . 1 1 19 19 VAL C C 19 175.000 175.000 173.640 1.360 25763 3273 1 11 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.330 1.070 25763 3274 1 11 . 1 1 19 19 VAL CB C 19 33.000 33.000 36.467 -3.467 25763 3275 1 11 . 1 1 19 19 VAL H H 19 8.720 8.720 9.126 -0.406 25763 3276 1 11 . 1 1 20 20 LEU N N 20 126.400 126.400 128.440 -2.040 25763 3277 1 11 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.715 1.155 25763 3278 1 11 . 1 1 20 20 LEU C C 20 176.800 176.800 174.535 2.265 25763 3279 1 11 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.501 -1.501 25763 3280 1 11 . 1 1 20 20 LEU H H 20 9.490 9.490 9.018 0.472 25763 3281 1 11 . 1 1 21 21 VAL N N 21 114.200 114.200 128.568 -14.368 25763 3282 1 11 . 1 1 21 21 VAL HA H 21 5.740 5.740 4.242 1.498 25763 3283 1 11 . 1 1 21 21 VAL C C 21 174.600 174.600 174.870 -0.270 25763 3284 1 11 . 1 1 21 21 VAL CA C 21 59.100 59.100 61.781 -2.681 25763 3285 1 11 . 1 1 21 21 VAL H H 21 9.210 9.210 9.161 0.049 25763 3286 1 11 . 1 1 22 22 ASN N N 22 121.000 121.000 126.908 -5.908 25763 3287 1 11 . 1 1 22 22 ASN C C 22 177.500 177.500 175.254 2.246 25763 3288 1 11 . 1 1 22 22 ASN CA C 22 49.600 49.600 53.217 -3.617 25763 3289 1 11 . 1 1 22 22 ASN H H 22 7.390 7.390 8.743 -1.353 25763 3290 1 11 . 1 1 23 23 ASP N N 23 117.600 117.600 122.561 -4.961 25763 3291 1 11 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.498 0.002 25763 3292 1 11 . 1 1 23 23 ASP C C 23 176.500 176.500 176.776 -0.276 25763 3293 1 11 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.153 -0.053 25763 3294 1 11 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.163 -1.463 25763 3295 1 11 . 1 1 23 23 ASP H H 23 8.380 8.380 9.361 -0.981 25763 3296 1 11 . 1 1 24 24 GLU N N 24 117.900 117.900 118.745 -0.845 25763 3297 1 11 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.363 0.077 25763 3298 1 11 . 1 1 24 24 GLU C C 24 175.100 175.100 175.981 -0.881 25763 3299 1 11 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.430 -1.030 25763 3300 1 11 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.990 0.110 25763 3301 1 11 . 1 1 24 24 GLU H H 24 7.300 7.300 8.427 -1.127 25763 3302 1 11 . 1 1 25 25 GLU N N 25 113.000 113.000 113.455 -0.455 25763 3303 1 11 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.933 -0.103 25763 3304 1 11 . 1 1 25 25 GLU C C 25 175.900 175.900 175.255 0.645 25763 3305 1 11 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.991 -0.291 25763 3306 1 11 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.841 -1.341 25763 3307 1 11 . 1 1 25 25 GLU H H 25 8.120 8.120 7.955 0.165 25763 3308 1 11 . 1 1 26 26 GLN N N 26 117.100 117.100 117.450 -0.350 25763 3309 1 11 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.521 -0.151 25763 3310 1 11 . 1 1 26 26 GLN CA C 26 54.600 54.600 55.350 -0.750 25763 3311 1 11 . 1 1 26 26 GLN CB C 26 29.400 29.400 30.417 -1.017 25763 3312 1 11 . 1 1 26 26 GLN H H 26 7.770 7.770 7.662 0.108 25763 3313 1 11 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.338 0.782 25763 3314 1 11 . 1 1 27 27 HIS C C 27 174.100 174.100 173.874 0.226 25763 3315 1 11 . 1 1 27 27 HIS CA C 27 53.900 53.900 54.128 -0.228 25763 3316 1 11 . 1 1 28 28 SER N N 28 111.900 111.900 117.764 -5.864 25763 3317 1 11 . 1 1 28 28 SER C C 28 173.200 173.200 172.111 1.089 25763 3318 1 11 . 1 1 28 28 SER CA C 28 57.700 57.700 56.149 1.551 25763 3319 1 11 . 1 1 28 28 SER H H 28 8.830 8.830 9.179 -0.349 25763 3320 1 11 . 1 1 29 29 LEU N N 29 126.000 126.000 123.800 2.200 25763 3321 1 11 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.594 0.716 25763 3322 1 11 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.530 1.670 25763 3323 1 11 . 1 1 29 29 LEU H H 29 8.840 8.840 8.381 0.459 25763 3324 1 11 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.481 0.589 25763 3325 1 11 . 1 1 31 31 PRO C C 31 176.300 176.300 176.477 -0.177 25763 3326 1 11 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.791 -0.791 25763 3327 1 11 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.132 0.868 25763 3328 1 11 . 1 1 32 32 ALA N N 32 121.500 121.500 127.206 -5.706 25763 3329 1 11 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.249 0.611 25763 3330 1 11 . 1 1 32 32 ALA C C 32 177.600 177.600 177.475 0.125 25763 3331 1 11 . 1 1 32 32 ALA CA C 32 53.500 53.500 52.897 0.603 25763 3332 1 11 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.456 0.144 25763 3333 1 11 . 1 1 32 32 ALA H H 32 7.940 7.940 8.086 -0.146 25763 3334 1 11 . 1 1 33 33 PHE N N 33 111.800 111.800 116.707 -4.907 25763 3335 1 11 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.562 -0.022 25763 3336 1 11 . 1 1 33 33 PHE C C 33 174.700 174.700 175.923 -1.223 25763 3337 1 11 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.979 -1.579 25763 3338 1 11 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.216 -1.716 25763 3339 1 11 . 1 1 33 33 PHE H H 33 6.970 6.970 7.969 -0.999 25763 3340 1 11 . 1 1 34 34 ALA N N 34 125.700 125.700 121.938 3.762 25763 3341 1 11 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.680 -0.050 25763 3342 1 11 . 1 1 34 34 ALA C C 34 177.700 177.700 175.469 2.231 25763 3343 1 11 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.291 -0.991 25763 3344 1 11 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.313 -1.113 25763 3345 1 11 . 1 1 34 34 ALA H H 34 7.080 7.080 7.775 -0.695 25763 3346 1 11 . 1 1 35 35 ASP N N 35 124.700 124.700 119.409 5.291 25763 3347 1 11 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.705 -0.205 25763 3348 1 11 . 1 1 35 35 ASP C C 35 176.400 176.400 175.411 0.989 25763 3349 1 11 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.560 1.440 25763 3350 1 11 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.560 -1.460 25763 3351 1 11 . 1 1 35 35 ASP H H 35 8.960 8.960 8.373 0.587 25763 3352 1 11 . 1 1 36 36 VAL N N 36 125.800 125.800 123.638 2.162 25763 3353 1 11 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.895 1.405 25763 3354 1 11 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.755 0.345 25763 3355 1 11 . 1 1 36 36 VAL H H 36 8.700 8.700 8.259 0.441 25763 3356 1 11 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.486 -0.216 25763 3357 1 11 . 1 1 37 37 PRO C C 37 175.600 175.600 176.509 -0.909 25763 3358 1 11 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.473 -0.373 25763 3359 1 11 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.412 -1.012 25763 3360 1 11 . 1 1 38 38 ALA N N 38 122.800 122.800 124.091 -1.291 25763 3361 1 11 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.074 0.156 25763 3362 1 11 . 1 1 38 38 ALA C C 38 179.100 179.100 178.477 0.623 25763 3363 1 11 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.266 0.934 25763 3364 1 11 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.132 -1.032 25763 3365 1 11 . 1 1 38 38 ALA H H 38 8.380 8.380 8.169 0.211 25763 3366 1 11 . 1 1 39 39 GLY N N 39 110.000 110.000 109.963 0.037 25763 3367 1 11 . 1 1 39 39 GLY C C 39 173.800 173.800 173.392 0.408 25763 3368 1 11 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.410 0.190 25763 3369 1 11 . 1 1 39 39 GLY H H 39 8.880 8.880 8.418 0.462 25763 3370 1 11 . 1 1 40 40 TRP N N 40 120.300 120.300 122.563 -2.263 25763 3371 1 11 . 1 1 40 40 TRP C C 40 174.800 174.800 175.425 -0.625 25763 3372 1 11 . 1 1 40 40 TRP CA C 40 56.100 56.100 56.031 0.069 25763 3373 1 11 . 1 1 40 40 TRP CB C 40 31.600 31.600 29.949 1.651 25763 3374 1 11 . 1 1 40 40 TRP H H 40 7.810 7.810 6.981 0.829 25763 3375 1 11 . 1 1 41 41 ARG N N 41 117.800 117.800 123.627 -5.827 25763 3376 1 11 . 1 1 41 41 ARG C C 41 174.700 174.700 174.741 -0.041 25763 3377 1 11 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.778 -0.778 25763 3378 1 11 . 1 1 41 41 ARG CB C 41 32.900 32.900 31.730 1.170 25763 3379 1 11 . 1 1 41 41 ARG H H 41 9.260 9.260 8.881 0.379 25763 3380 1 11 . 1 1 42 42 VAL N N 42 122.400 122.400 125.967 -3.567 25763 3381 1 11 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.145 -0.055 25763 3382 1 11 . 1 1 42 42 VAL C C 42 177.900 177.900 175.247 2.653 25763 3383 1 11 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.833 0.467 25763 3384 1 11 . 1 1 42 42 VAL CB C 42 32.200 32.200 31.960 0.239 25763 3385 1 11 . 1 1 42 42 VAL H H 42 8.790 8.790 8.623 0.167 25763 3386 1 11 . 1 1 43 43 VAL N N 43 119.100 119.100 126.585 -7.485 25763 3387 1 11 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.048 0.742 25763 3388 1 11 . 1 1 43 43 VAL C C 43 174.700 174.700 174.965 -0.265 25763 3389 1 11 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.712 -2.112 25763 3390 1 11 . 1 1 43 43 VAL CB C 43 33.700 33.700 33.077 0.623 25763 3391 1 11 . 1 1 43 43 VAL H H 43 9.140 9.140 8.580 0.560 25763 3392 1 11 . 1 1 44 44 HIS N N 44 119.200 119.200 117.383 1.817 25763 3393 1 11 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.929 -0.379 25763 3394 1 11 . 1 1 44 44 HIS C C 44 173.400 173.400 174.901 -1.501 25763 3395 1 11 . 1 1 44 44 HIS CA C 44 57.400 57.400 54.817 2.583 25763 3396 1 11 . 1 1 44 44 HIS CB C 44 32.700 32.700 32.750 -0.050 25763 3397 1 11 . 1 1 44 44 HIS H H 44 7.720 7.720 7.649 0.071 25763 3398 1 11 . 1 1 45 45 GLY N N 45 111.800 111.800 111.287 0.513 25763 3399 1 11 . 1 1 45 45 GLY C C 45 174.600 174.600 173.884 0.716 25763 3400 1 11 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.791 -2.691 25763 3401 1 11 . 1 1 45 45 GLY H H 45 7.680 7.680 8.742 -1.062 25763 3402 1 11 . 1 1 46 46 GLU N N 46 121.400 121.400 118.376 3.024 25763 3403 1 11 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.803 0.387 25763 3404 1 11 . 1 1 46 46 GLU C C 46 175.200 175.200 175.557 -0.357 25763 3405 1 11 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.636 -0.636 25763 3406 1 11 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.491 0.909 25763 3407 1 11 . 1 1 46 46 GLU H H 46 8.680 8.680 8.625 0.055 25763 3408 1 11 . 1 1 47 47 ALA N N 47 126.700 126.700 128.190 -1.490 25763 3409 1 11 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.538 0.262 25763 3410 1 11 . 1 1 47 47 ALA C C 47 174.900 174.900 176.109 -1.209 25763 3411 1 11 . 1 1 47 47 ALA CA C 47 51.000 51.000 50.706 0.294 25763 3412 1 11 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.863 0.137 25763 3413 1 11 . 1 1 47 47 ALA H H 47 9.430 9.430 7.569 1.861 25763 3414 1 11 . 1 1 48 48 ASP N N 48 117.400 117.400 119.623 -2.223 25763 3415 1 11 . 1 1 48 48 ASP C C 48 175.800 175.800 177.366 -1.566 25763 3416 1 11 . 1 1 48 48 ASP CA C 48 53.800 53.800 54.508 -0.708 25763 3417 1 11 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.664 -0.764 25763 3418 1 11 . 1 1 48 48 ASP H H 48 8.560 8.560 8.631 -0.071 25763 3419 1 11 . 1 1 49 49 ARG N N 49 121.500 121.500 122.160 -0.660 25763 3420 1 11 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.928 -0.568 25763 3421 1 11 . 1 1 49 49 ARG C C 49 179.000 179.000 178.213 0.787 25763 3422 1 11 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.702 1.198 25763 3423 1 11 . 1 1 49 49 ARG H H 49 9.310 9.310 8.715 0.595 25763 3424 1 11 . 1 1 50 50 ALA N N 50 119.000 119.000 120.833 -1.833 25763 3425 1 11 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.166 -0.096 25763 3426 1 11 . 1 1 50 50 ALA C C 50 180.500 180.500 179.485 1.015 25763 3427 1 11 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.787 0.413 25763 3428 1 11 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.934 -0.234 25763 3429 1 11 . 1 1 50 50 ALA H H 50 8.620 8.620 8.561 0.059 25763 3430 1 11 . 1 1 51 51 ALA N N 51 121.700 121.700 121.979 -0.279 25763 3431 1 11 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.570 -0.240 25763 3432 1 11 . 1 1 51 51 ALA C C 51 182.300 182.300 179.968 2.332 25763 3433 1 11 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.663 -0.064 25763 3434 1 11 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.441 0.359 25763 3435 1 11 . 1 1 51 51 ALA H H 51 8.340 8.340 7.473 0.867 25763 3436 1 11 . 1 1 52 52 CYS N N 52 117.900 117.900 116.556 1.344 25763 3437 1 11 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.371 -0.231 25763 3438 1 11 . 1 1 52 52 CYS C C 52 176.800 176.800 176.833 -0.033 25763 3439 1 11 . 1 1 52 52 CYS CA C 52 64.500 64.500 62.788 1.712 25763 3440 1 11 . 1 1 52 52 CYS CB C 52 27.100 27.100 28.102 -1.002 25763 3441 1 11 . 1 1 52 52 CYS H H 52 8.300 8.300 8.243 0.057 25763 3442 1 11 . 1 1 53 53 LEU N N 53 120.600 120.600 121.537 -0.937 25763 3443 1 11 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.927 0.243 25763 3444 1 11 . 1 1 53 53 LEU C C 53 179.900 179.900 179.618 0.282 25763 3445 1 11 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.968 0.132 25763 3446 1 11 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.521 -1.021 25763 3447 1 11 . 1 1 53 53 LEU H H 53 8.780 8.780 8.552 0.228 25763 3448 1 11 . 1 1 54 54 GLU N N 54 120.600 120.600 118.890 1.710 25763 3449 1 11 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.011 0.109 25763 3450 1 11 . 1 1 54 54 GLU C C 54 178.300 178.300 178.620 -0.320 25763 3451 1 11 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.025 0.275 25763 3452 1 11 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.562 -0.162 25763 3453 1 11 . 1 1 54 54 GLU H H 54 8.350 8.350 8.359 -0.009 25763 3454 1 11 . 1 1 55 55 TYR N N 55 120.800 120.800 122.860 -2.060 25763 3455 1 11 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.090 0.060 25763 3456 1 11 . 1 1 55 55 TYR CA C 55 61.700 61.700 60.853 0.847 25763 3457 1 11 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.155 -0.555 25763 3458 1 11 . 1 1 55 55 TYR H H 55 7.890 7.890 7.902 -0.012 25763 3459 1 11 . 1 1 56 56 ILE C C 56 176.700 176.700 176.844 -0.144 25763 3460 1 11 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.828 0.372 25763 3461 1 11 . 1 1 57 57 GLU N N 57 119.400 119.400 118.485 0.915 25763 3462 1 11 . 1 1 57 57 GLU HA H 57 4.030 4.030 3.993 0.037 25763 3463 1 11 . 1 1 57 57 GLU C C 57 177.700 177.700 178.236 -0.536 25763 3464 1 11 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.651 -0.151 25763 3465 1 11 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.433 -0.533 25763 3466 1 11 . 1 1 57 57 GLU H H 57 8.290 8.290 7.563 0.727 25763 3467 1 11 . 1 1 58 58 GLU N N 58 115.000 115.000 115.478 -0.478 25763 3468 1 11 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.198 -0.318 25763 3469 1 11 . 1 1 58 58 GLU C C 58 177.600 177.600 176.272 1.328 25763 3470 1 11 . 1 1 58 58 GLU CA C 58 57.700 57.700 56.609 1.091 25763 3471 1 11 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.357 -0.957 25763 3472 1 11 . 1 1 58 58 GLU H H 58 7.780 7.780 7.970 -0.190 25763 3473 1 11 . 1 1 59 59 HIS N N 59 113.700 113.700 116.759 -3.059 25763 3474 1 11 . 1 1 59 59 HIS CA C 59 58.400 58.400 57.034 1.366 25763 3475 1 11 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.419 -0.419 25763 3476 1 11 . 1 1 59 59 HIS H H 59 7.420 7.420 7.774 -0.354 25763 3477 1 11 . 1 1 63 63 ILE CB C 63 38.600 38.600 39.778 -1.178 25763 3478 1 11 . 1 1 68 68 LEU CA C 68 55.700 55.700 56.562 -0.862 25763 3479 1 11 . 1 1 68 68 LEU CB C 68 42.100 42.100 40.761 1.339 25763 3480 1 11 . 1 1 69 69 ARG N N 69 121.100 121.100 118.473 2.627 25763 3481 1 11 . 1 1 69 69 ARG H H 69 8.550 8.550 8.559 -0.009 25763 3482 1 11 . 1 1 70 70 ASP C C 70 176.000 176.000 175.877 0.123 25763 3483 1 11 . 1 1 70 70 ASP CA C 70 55.600 55.600 54.825 0.774 25763 3484 1 11 . 1 1 70 70 ASP CB C 70 41.000 41.000 40.869 0.131 25763 3485 1 11 . 1 1 71 71 LYS N N 71 121.200 121.200 122.880 -1.680 25763 3486 1 11 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.442 -0.222 25763 3487 1 11 . 1 1 71 71 LYS C C 71 177.500 177.500 176.745 0.755 25763 3488 1 11 . 1 1 71 71 LYS CA C 71 57.100 57.100 55.241 1.859 25763 3489 1 11 . 1 1 71 71 LYS CB C 71 32.600 32.600 32.683 -0.083 25763 3490 1 11 . 1 1 71 71 LYS H H 71 8.260 8.260 8.324 -0.064 25763 3491 1 11 . 1 1 72 72 LEU N N 72 121.600 121.600 122.693 -1.093 25763 3492 1 11 . 1 1 72 72 LEU CA C 72 55.300 55.300 53.119 2.181 25763 3493 1 11 . 1 1 72 72 LEU CB C 72 42.100 42.100 40.815 1.285 25763 3494 1 11 . 1 1 72 72 LEU H H 72 8.330 8.330 7.910 0.420 25763 3495 1 11 . 1 1 73 73 ALA N N 73 123.900 123.900 122.748 1.152 25763 3496 1 11 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.458 -0.048 25763 3497 1 11 . 1 1 73 73 ALA C C 73 177.900 177.900 177.191 0.709 25763 3498 1 11 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.832 0.668 25763 3499 1 11 . 1 1 73 73 ALA CB C 73 18.800 18.800 18.264 0.536 25763 3500 1 11 . 1 1 73 73 ALA H H 73 8.250 8.250 7.649 0.601 25763 3501 1 11 . 1 1 74 74 THR N N 74 112.000 112.000 112.820 -0.820 25763 3502 1 11 . 1 1 74 74 THR HA H 74 4.400 4.400 4.252 0.148 25763 3503 1 11 . 1 1 74 74 THR C C 74 175.200 175.200 174.673 0.527 25763 3504 1 11 . 1 1 74 74 THR CA C 74 61.700 61.700 62.877 -1.177 25763 3505 1 11 . 1 1 74 74 THR CB C 74 69.700 69.700 69.161 0.539 25763 3506 1 11 . 1 1 74 74 THR H H 74 8.160 8.160 7.487 0.673 25763 3507 1 11 . 1 1 75 75 GLY N N 75 110.600 110.600 112.883 -2.283 25763 3508 1 11 . 1 1 75 75 GLY C C 75 174.100 174.100 173.211 0.889 25763 3509 1 11 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.512 -0.112 25763 3510 1 11 . 1 1 75 75 GLY H H 75 8.540 8.540 8.260 0.280 25763 3511 1 11 . 1 1 76 76 ARG N N 76 120.100 120.100 122.637 -2.537 25763 3512 1 11 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.875 -0.505 25763 3513 1 11 . 1 1 76 76 ARG C C 76 176.600 176.600 175.204 1.396 25763 3514 1 11 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.773 0.227 25763 3515 1 11 . 1 1 76 76 ARG CB C 76 30.400 30.400 31.744 -1.344 25763 3516 1 11 . 1 1 76 76 ARG H H 76 8.340 8.340 8.446 -0.106 25763 3517 1 11 . 1 1 77 77 GLY N N 77 109.400 109.400 111.241 -1.841 25763 3518 1 11 . 1 1 77 77 GLY C C 77 173.800 173.800 172.582 1.218 25763 3519 1 11 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.103 -0.203 25763 3520 1 11 . 1 1 77 77 GLY H H 77 8.560 8.560 8.154 0.406 25763 3521 1 11 . 1 1 78 78 PHE N N 78 119.200 119.200 117.751 1.449 25763 3522 1 11 . 1 1 78 78 PHE C C 78 175.500 175.500 175.476 0.024 25763 3523 1 11 . 1 1 78 78 PHE CA C 78 57.800 57.800 60.043 -2.243 25763 3524 1 11 . 1 1 78 78 PHE CB C 78 39.300 39.300 39.216 0.084 25763 3525 1 11 . 1 1 78 78 PHE H H 78 8.270 8.270 8.725 -0.455 25763 3526 1 11 . 1 1 79 79 ASP N N 79 121.400 121.400 121.411 -0.011 25763 3527 1 11 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.423 0.207 25763 3528 1 11 . 1 1 79 79 ASP C C 79 175.000 175.000 176.550 -1.550 25763 3529 1 11 . 1 1 79 79 ASP CA C 79 54.300 54.300 55.271 -0.971 25763 3530 1 11 . 1 1 79 79 ASP CB C 79 40.700 40.700 40.036 0.664 25763 3531 1 11 . 1 1 79 79 ASP H H 79 8.540 8.540 8.716 -0.176 25763 3532 1 12 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.453 -8.953 25763 3533 1 12 . 1 1 2 2 PRO CB C 2 32.200 32.200 33.031 -0.831 25763 3534 1 12 . 1 1 3 3 GLY N N 3 109.800 109.800 110.039 -0.239 25763 3535 1 12 . 1 1 3 3 GLY C C 3 174.100 174.100 174.337 -0.237 25763 3536 1 12 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.562 0.538 25763 3537 1 12 . 1 1 3 3 GLY H H 3 8.800 8.800 8.512 0.288 25763 3538 1 12 . 1 1 4 4 SER N N 4 115.200 115.200 121.230 -6.030 25763 3539 1 12 . 1 1 4 4 SER HA H 4 4.510 4.510 4.478 0.032 25763 3540 1 12 . 1 1 4 4 SER C C 4 174.400 174.400 174.999 -0.599 25763 3541 1 12 . 1 1 4 4 SER CA C 4 58.200 58.200 58.247 -0.047 25763 3542 1 12 . 1 1 4 4 SER CB C 4 63.500 63.500 63.041 0.459 25763 3543 1 12 . 1 1 4 4 SER H H 4 8.280 8.280 8.080 0.200 25763 3544 1 12 . 1 1 5 5 MET HA H 5 4.200 4.200 4.183 0.017 25763 3545 1 12 . 1 1 5 5 MET C C 5 175.800 175.800 176.834 -1.034 25763 3546 1 12 . 1 1 5 5 MET CA C 5 61.900 61.900 57.220 4.680 25763 3547 1 12 . 1 1 5 5 MET CB C 5 32.900 32.900 32.482 0.418 25763 3548 1 12 . 1 1 6 6 SER N N 6 119.700 119.700 115.001 4.699 25763 3549 1 12 . 1 1 6 6 SER HA H 6 4.550 4.550 4.479 0.071 25763 3550 1 12 . 1 1 6 6 SER C C 6 174.100 174.100 173.625 0.475 25763 3551 1 12 . 1 1 6 6 SER CA C 6 57.700 57.700 57.971 -0.271 25763 3552 1 12 . 1 1 6 6 SER CB C 6 63.500 63.500 63.232 0.268 25763 3553 1 12 . 1 1 6 6 SER H H 6 8.530 8.530 7.982 0.548 25763 3554 1 12 . 1 1 7 7 ILE N N 7 122.400 122.400 127.729 -5.329 25763 3555 1 12 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.026 0.214 25763 3556 1 12 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.561 -1.061 25763 3557 1 12 . 1 1 7 7 ILE CB C 7 38.800 38.800 37.724 1.076 25763 3558 1 12 . 1 1 7 7 ILE H H 7 8.360 8.360 8.526 -0.166 25763 3559 1 12 . 1 1 8 8 ASN N N 8 123.600 123.600 128.716 -5.116 25763 3560 1 12 . 1 1 8 8 ASN CA C 8 51.000 51.000 50.204 0.796 25763 3561 1 12 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.132 -0.332 25763 3562 1 12 . 1 1 8 8 ASN H H 8 8.700 8.700 8.391 0.309 25763 3563 1 12 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.393 0.227 25763 3564 1 12 . 1 1 13 13 ASP C C 13 176.800 176.800 176.731 0.069 25763 3565 1 12 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.464 -0.764 25763 3566 1 12 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.156 -0.256 25763 3567 1 12 . 1 1 14 14 ASN N N 14 117.700 117.700 115.297 2.403 25763 3568 1 12 . 1 1 14 14 ASN C C 14 175.600 175.600 175.781 -0.181 25763 3569 1 12 . 1 1 14 14 ASN CA C 14 53.300 53.300 52.665 0.635 25763 3570 1 12 . 1 1 14 14 ASN CB C 14 39.100 39.100 39.244 -0.144 25763 3571 1 12 . 1 1 14 14 ASN H H 14 8.720 8.720 7.698 1.022 25763 3572 1 12 . 1 1 15 15 GLY N N 15 107.500 107.500 109.330 -1.830 25763 3573 1 12 . 1 1 15 15 GLY C C 15 172.600 172.600 174.083 -1.483 25763 3574 1 12 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.455 0.645 25763 3575 1 12 . 1 1 15 15 GLY H H 15 8.160 8.160 8.056 0.104 25763 3576 1 12 . 1 1 16 16 SER N N 16 114.000 114.000 118.191 -4.191 25763 3577 1 12 . 1 1 16 16 SER HA H 16 4.710 4.710 4.540 0.170 25763 3578 1 12 . 1 1 16 16 SER C C 16 174.100 174.100 174.054 0.046 25763 3579 1 12 . 1 1 16 16 SER CA C 16 57.300 57.300 59.036 -1.736 25763 3580 1 12 . 1 1 16 16 SER CB C 16 64.200 64.200 64.518 -0.318 25763 3581 1 12 . 1 1 16 16 SER H H 16 7.780 7.780 8.011 -0.231 25763 3582 1 12 . 1 1 17 17 PHE N N 17 123.000 123.000 125.303 -2.303 25763 3583 1 12 . 1 1 17 17 PHE CA C 17 57.700 57.700 59.048 -1.348 25763 3584 1 12 . 1 1 17 17 PHE CB C 17 46.000 46.000 37.883 8.117 25763 3585 1 12 . 1 1 17 17 PHE H H 17 9.570 9.570 7.879 1.691 25763 3586 1 12 . 1 1 18 18 PHE N N 18 114.900 114.900 123.788 -8.888 25763 3587 1 12 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.558 0.202 25763 3588 1 12 . 1 1 18 18 PHE C C 18 177.000 177.000 173.391 3.609 25763 3589 1 12 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.074 0.326 25763 3590 1 12 . 1 1 18 18 PHE CB C 18 44.200 44.200 42.230 1.970 25763 3591 1 12 . 1 1 18 18 PHE H H 18 9.680 9.680 7.269 2.411 25763 3592 1 12 . 1 1 19 19 VAL N N 19 117.000 117.000 121.958 -4.958 25763 3593 1 12 . 1 1 19 19 VAL C C 19 175.000 175.000 174.018 0.982 25763 3594 1 12 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.111 1.289 25763 3595 1 12 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.678 -2.678 25763 3596 1 12 . 1 1 19 19 VAL H H 19 8.720 8.720 9.154 -0.434 25763 3597 1 12 . 1 1 20 20 LEU N N 20 126.400 126.400 129.668 -3.268 25763 3598 1 12 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.545 1.325 25763 3599 1 12 . 1 1 20 20 LEU C C 20 176.800 176.800 174.518 2.282 25763 3600 1 12 . 1 1 20 20 LEU CA C 20 52.000 52.000 54.001 -2.001 25763 3601 1 12 . 1 1 20 20 LEU H H 20 9.490 9.490 9.050 0.440 25763 3602 1 12 . 1 1 21 21 VAL N N 21 114.200 114.200 126.756 -12.556 25763 3603 1 12 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.205 0.535 25763 3604 1 12 . 1 1 21 21 VAL C C 21 174.600 174.600 174.793 -0.193 25763 3605 1 12 . 1 1 21 21 VAL CA C 21 59.100 59.100 59.787 -0.687 25763 3606 1 12 . 1 1 21 21 VAL H H 21 9.210 9.210 9.134 0.076 25763 3607 1 12 . 1 1 22 22 ASN N N 22 121.000 121.000 125.070 -4.070 25763 3608 1 12 . 1 1 22 22 ASN C C 22 177.500 177.500 175.542 1.958 25763 3609 1 12 . 1 1 22 22 ASN CA C 22 49.600 49.600 51.577 -1.977 25763 3610 1 12 . 1 1 22 22 ASN H H 22 7.390 7.390 8.754 -1.364 25763 3611 1 12 . 1 1 23 23 ASP N N 23 117.600 117.600 123.130 -5.530 25763 3612 1 12 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.335 0.165 25763 3613 1 12 . 1 1 23 23 ASP C C 23 176.500 176.500 176.375 0.125 25763 3614 1 12 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.677 -0.577 25763 3615 1 12 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.048 -1.348 25763 3616 1 12 . 1 1 23 23 ASP H H 23 8.380 8.380 8.870 -0.490 25763 3617 1 12 . 1 1 24 24 GLU N N 24 117.900 117.900 117.400 0.500 25763 3618 1 12 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.223 0.217 25763 3619 1 12 . 1 1 24 24 GLU C C 24 175.100 175.100 175.535 -0.435 25763 3620 1 12 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.303 -0.903 25763 3621 1 12 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.506 0.594 25763 3622 1 12 . 1 1 24 24 GLU H H 24 7.300 7.300 8.311 -1.011 25763 3623 1 12 . 1 1 25 25 GLU N N 25 113.000 113.000 114.087 -1.087 25763 3624 1 12 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.932 -0.102 25763 3625 1 12 . 1 1 25 25 GLU C C 25 175.900 175.900 175.159 0.741 25763 3626 1 12 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.445 0.255 25763 3627 1 12 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.709 -1.209 25763 3628 1 12 . 1 1 25 25 GLU H H 25 8.120 8.120 8.084 0.036 25763 3629 1 12 . 1 1 26 26 GLN N N 26 117.100 117.100 119.980 -2.880 25763 3630 1 12 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.004 0.366 25763 3631 1 12 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.139 -1.539 25763 3632 1 12 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.302 0.098 25763 3633 1 12 . 1 1 26 26 GLN H H 26 7.770 7.770 7.311 0.459 25763 3634 1 12 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.601 0.519 25763 3635 1 12 . 1 1 27 27 HIS C C 27 174.100 174.100 174.345 -0.245 25763 3636 1 12 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.383 0.517 25763 3637 1 12 . 1 1 28 28 SER N N 28 111.900 111.900 117.387 -5.487 25763 3638 1 12 . 1 1 28 28 SER C C 28 173.200 173.200 172.834 0.366 25763 3639 1 12 . 1 1 28 28 SER CA C 28 57.700 57.700 56.718 0.982 25763 3640 1 12 . 1 1 28 28 SER H H 28 8.830 8.830 8.821 0.009 25763 3641 1 12 . 1 1 29 29 LEU N N 29 126.000 126.000 117.102 8.898 25763 3642 1 12 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.815 0.495 25763 3643 1 12 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.453 1.747 25763 3644 1 12 . 1 1 29 29 LEU H H 29 8.840 8.840 8.234 0.606 25763 3645 1 12 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.161 0.909 25763 3646 1 12 . 1 1 31 31 PRO C C 31 176.300 176.300 176.267 0.033 25763 3647 1 12 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.275 -0.275 25763 3648 1 12 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.413 1.587 25763 3649 1 12 . 1 1 32 32 ALA N N 32 121.500 121.500 126.753 -5.253 25763 3650 1 12 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.286 0.574 25763 3651 1 12 . 1 1 32 32 ALA C C 32 177.600 177.600 177.498 0.102 25763 3652 1 12 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.479 0.021 25763 3653 1 12 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.273 -0.673 25763 3654 1 12 . 1 1 32 32 ALA H H 32 7.940 7.940 7.723 0.217 25763 3655 1 12 . 1 1 33 33 PHE N N 33 111.800 111.800 113.337 -1.537 25763 3656 1 12 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.565 -0.025 25763 3657 1 12 . 1 1 33 33 PHE C C 33 174.700 174.700 174.894 -0.194 25763 3658 1 12 . 1 1 33 33 PHE CA C 33 56.400 56.400 56.552 -0.152 25763 3659 1 12 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.598 -1.098 25763 3660 1 12 . 1 1 33 33 PHE H H 33 6.970 6.970 7.512 -0.542 25763 3661 1 12 . 1 1 34 34 ALA N N 34 125.700 125.700 122.590 3.110 25763 3662 1 12 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.341 0.289 25763 3663 1 12 . 1 1 34 34 ALA C C 34 177.700 177.700 175.278 2.422 25763 3664 1 12 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.141 -0.841 25763 3665 1 12 . 1 1 34 34 ALA CB C 34 20.200 20.200 20.563 -0.363 25763 3666 1 12 . 1 1 34 34 ALA H H 34 7.080 7.080 7.213 -0.134 25763 3667 1 12 . 1 1 35 35 ASP N N 35 124.700 124.700 119.538 5.162 25763 3668 1 12 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.567 -0.067 25763 3669 1 12 . 1 1 35 35 ASP C C 35 176.400 176.400 175.995 0.405 25763 3670 1 12 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.985 1.015 25763 3671 1 12 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.608 -1.508 25763 3672 1 12 . 1 1 35 35 ASP H H 35 8.960 8.960 8.330 0.630 25763 3673 1 12 . 1 1 36 36 VAL N N 36 125.800 125.800 127.256 -1.456 25763 3674 1 12 . 1 1 36 36 VAL CA C 36 61.300 61.300 60.148 1.151 25763 3675 1 12 . 1 1 36 36 VAL CB C 36 32.100 32.100 32.106 -0.006 25763 3676 1 12 . 1 1 36 36 VAL H H 36 8.700 8.700 8.258 0.442 25763 3677 1 12 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.464 -0.194 25763 3678 1 12 . 1 1 37 37 PRO C C 37 175.600 175.600 176.658 -1.058 25763 3679 1 12 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.793 -0.693 25763 3680 1 12 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.237 -0.837 25763 3681 1 12 . 1 1 38 38 ALA N N 38 122.800 122.800 125.587 -2.787 25763 3682 1 12 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.232 -0.002 25763 3683 1 12 . 1 1 38 38 ALA C C 38 179.100 179.100 178.061 1.039 25763 3684 1 12 . 1 1 38 38 ALA CA C 38 53.200 53.200 53.730 -0.530 25763 3685 1 12 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.282 -1.182 25763 3686 1 12 . 1 1 38 38 ALA H H 38 8.380 8.380 8.596 -0.216 25763 3687 1 12 . 1 1 39 39 GLY N N 39 110.000 110.000 110.989 -0.989 25763 3688 1 12 . 1 1 39 39 GLY C C 39 173.800 173.800 174.424 -0.624 25763 3689 1 12 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.394 0.206 25763 3690 1 12 . 1 1 39 39 GLY H H 39 8.880 8.880 8.389 0.491 25763 3691 1 12 . 1 1 40 40 TRP N N 40 120.300 120.300 121.814 -1.514 25763 3692 1 12 . 1 1 40 40 TRP C C 40 174.800 174.800 175.843 -1.043 25763 3693 1 12 . 1 1 40 40 TRP CA C 40 56.100 56.100 57.602 -1.502 25763 3694 1 12 . 1 1 40 40 TRP CB C 40 31.600 31.600 29.791 1.809 25763 3695 1 12 . 1 1 40 40 TRP H H 40 7.810 7.810 7.587 0.223 25763 3696 1 12 . 1 1 41 41 ARG N N 41 117.800 117.800 123.197 -5.397 25763 3697 1 12 . 1 1 41 41 ARG C C 41 174.700 174.700 174.584 0.116 25763 3698 1 12 . 1 1 41 41 ARG CA C 41 54.000 54.000 55.073 -1.073 25763 3699 1 12 . 1 1 41 41 ARG CB C 41 32.900 32.900 33.515 -0.615 25763 3700 1 12 . 1 1 41 41 ARG H H 41 9.260 9.260 8.904 0.356 25763 3701 1 12 . 1 1 42 42 VAL N N 42 122.400 122.400 126.911 -4.511 25763 3702 1 12 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.136 -0.046 25763 3703 1 12 . 1 1 42 42 VAL C C 42 177.900 177.900 175.912 1.988 25763 3704 1 12 . 1 1 42 42 VAL CA C 42 63.300 63.300 63.032 0.268 25763 3705 1 12 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.056 0.144 25763 3706 1 12 . 1 1 42 42 VAL H H 42 8.790 8.790 8.565 0.226 25763 3707 1 12 . 1 1 43 43 VAL N N 43 119.100 119.100 129.054 -9.954 25763 3708 1 12 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.157 0.633 25763 3709 1 12 . 1 1 43 43 VAL C C 43 174.700 174.700 175.090 -0.390 25763 3710 1 12 . 1 1 43 43 VAL CA C 43 60.600 60.600 63.676 -3.076 25763 3711 1 12 . 1 1 43 43 VAL CB C 43 33.700 33.700 33.158 0.542 25763 3712 1 12 . 1 1 43 43 VAL H H 43 9.140 9.140 8.829 0.311 25763 3713 1 12 . 1 1 44 44 HIS N N 44 119.200 119.200 117.647 1.553 25763 3714 1 12 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.826 -0.276 25763 3715 1 12 . 1 1 44 44 HIS C C 44 173.400 173.400 173.846 -0.446 25763 3716 1 12 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.168 2.232 25763 3717 1 12 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.578 -0.878 25763 3718 1 12 . 1 1 44 44 HIS H H 44 7.720 7.720 7.774 -0.054 25763 3719 1 12 . 1 1 45 45 GLY N N 45 111.800 111.800 112.004 -0.204 25763 3720 1 12 . 1 1 45 45 GLY C C 45 174.600 174.600 174.155 0.445 25763 3721 1 12 . 1 1 45 45 GLY CA C 45 42.100 42.100 43.961 -1.861 25763 3722 1 12 . 1 1 45 45 GLY H H 45 7.680 7.680 8.336 -0.656 25763 3723 1 12 . 1 1 46 46 GLU N N 46 121.400 121.400 117.703 3.697 25763 3724 1 12 . 1 1 46 46 GLU HA H 46 4.190 4.190 4.236 -0.046 25763 3725 1 12 . 1 1 46 46 GLU C C 46 175.200 175.200 175.073 0.127 25763 3726 1 12 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.383 -0.383 25763 3727 1 12 . 1 1 46 46 GLU CB C 46 30.400 30.400 30.046 0.354 25763 3728 1 12 . 1 1 46 46 GLU H H 46 8.680 8.680 8.572 0.108 25763 3729 1 12 . 1 1 47 47 ALA N N 47 126.700 126.700 125.791 0.909 25763 3730 1 12 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.649 0.151 25763 3731 1 12 . 1 1 47 47 ALA C C 47 174.900 174.900 175.646 -0.746 25763 3732 1 12 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.439 -0.439 25763 3733 1 12 . 1 1 47 47 ALA CB C 47 22.000 22.000 20.897 1.103 25763 3734 1 12 . 1 1 47 47 ALA H H 47 9.430 9.430 8.251 1.179 25763 3735 1 12 . 1 1 48 48 ASP N N 48 117.400 117.400 119.513 -2.113 25763 3736 1 12 . 1 1 48 48 ASP C C 48 175.800 175.800 177.540 -1.740 25763 3737 1 12 . 1 1 48 48 ASP CA C 48 53.800 53.800 54.629 -0.829 25763 3738 1 12 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.853 -0.953 25763 3739 1 12 . 1 1 48 48 ASP H H 48 8.560 8.560 8.550 0.010 25763 3740 1 12 . 1 1 49 49 ARG N N 49 121.500 121.500 120.570 0.930 25763 3741 1 12 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.987 -0.627 25763 3742 1 12 . 1 1 49 49 ARG C C 49 179.000 179.000 178.012 0.988 25763 3743 1 12 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.522 1.378 25763 3744 1 12 . 1 1 49 49 ARG H H 49 9.310 9.310 8.699 0.611 25763 3745 1 12 . 1 1 50 50 ALA N N 50 119.000 119.000 120.603 -1.603 25763 3746 1 12 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.133 -0.063 25763 3747 1 12 . 1 1 50 50 ALA C C 50 180.500 180.500 179.452 1.048 25763 3748 1 12 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.897 0.303 25763 3749 1 12 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.975 -0.275 25763 3750 1 12 . 1 1 50 50 ALA H H 50 8.620 8.620 8.590 0.030 25763 3751 1 12 . 1 1 51 51 ALA N N 51 121.700 121.700 120.347 1.353 25763 3752 1 12 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.400 -0.070 25763 3753 1 12 . 1 1 51 51 ALA C C 51 182.300 182.300 179.212 3.088 25763 3754 1 12 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.523 0.077 25763 3755 1 12 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.388 0.412 25763 3756 1 12 . 1 1 51 51 ALA H H 51 8.340 8.340 7.754 0.586 25763 3757 1 12 . 1 1 52 52 CYS N N 52 117.900 117.900 119.586 -1.686 25763 3758 1 12 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.511 -0.371 25763 3759 1 12 . 1 1 52 52 CYS C C 52 176.800 176.800 176.961 -0.161 25763 3760 1 12 . 1 1 52 52 CYS CA C 52 64.500 64.500 62.046 2.454 25763 3761 1 12 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.874 0.226 25763 3762 1 12 . 1 1 52 52 CYS H H 52 8.300 8.300 8.136 0.164 25763 3763 1 12 . 1 1 53 53 LEU N N 53 120.600 120.600 118.562 2.038 25763 3764 1 12 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.975 0.195 25763 3765 1 12 . 1 1 53 53 LEU C C 53 179.900 179.900 179.023 0.877 25763 3766 1 12 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.869 0.231 25763 3767 1 12 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.626 -1.126 25763 3768 1 12 . 1 1 53 53 LEU H H 53 8.780 8.780 8.402 0.378 25763 3769 1 12 . 1 1 54 54 GLU N N 54 120.600 120.600 119.646 0.954 25763 3770 1 12 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.827 0.293 25763 3771 1 12 . 1 1 54 54 GLU C C 54 178.300 178.300 178.664 -0.364 25763 3772 1 12 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.641 -0.341 25763 3773 1 12 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.392 0.008 25763 3774 1 12 . 1 1 54 54 GLU H H 54 8.350 8.350 7.701 0.649 25763 3775 1 12 . 1 1 55 55 TYR N N 55 120.800 120.800 121.170 -0.370 25763 3776 1 12 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.427 -0.277 25763 3777 1 12 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.528 0.172 25763 3778 1 12 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.732 -1.132 25763 3779 1 12 . 1 1 55 55 TYR H H 55 7.890 7.890 8.359 -0.469 25763 3780 1 12 . 1 1 56 56 ILE C C 56 176.700 176.700 177.342 -0.642 25763 3781 1 12 . 1 1 56 56 ILE CB C 56 38.200 38.200 38.035 0.165 25763 3782 1 12 . 1 1 57 57 GLU N N 57 119.400 119.400 120.706 -1.306 25763 3783 1 12 . 1 1 57 57 GLU HA H 57 4.030 4.030 3.981 0.049 25763 3784 1 12 . 1 1 57 57 GLU C C 57 177.700 177.700 178.975 -1.275 25763 3785 1 12 . 1 1 57 57 GLU CA C 57 58.500 58.500 59.485 -0.985 25763 3786 1 12 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.717 -0.817 25763 3787 1 12 . 1 1 57 57 GLU H H 57 8.290 8.290 7.808 0.482 25763 3788 1 12 . 1 1 58 58 GLU N N 58 115.000 115.000 117.291 -2.291 25763 3789 1 12 . 1 1 58 58 GLU HA H 58 3.880 3.880 3.843 0.037 25763 3790 1 12 . 1 1 58 58 GLU C C 58 177.600 177.600 176.045 1.555 25763 3791 1 12 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.219 0.481 25763 3792 1 12 . 1 1 58 58 GLU CB C 58 29.400 29.400 29.965 -0.565 25763 3793 1 12 . 1 1 58 58 GLU H H 58 7.780 7.780 8.017 -0.237 25763 3794 1 12 . 1 1 59 59 HIS N N 59 113.700 113.700 114.735 -1.035 25763 3795 1 12 . 1 1 59 59 HIS CA C 59 58.400 58.400 55.958 2.442 25763 3796 1 12 . 1 1 59 59 HIS CB C 59 28.000 28.000 26.110 1.890 25763 3797 1 12 . 1 1 59 59 HIS H H 59 7.420 7.420 8.055 -0.635 25763 3798 1 12 . 1 1 63 63 ILE CB C 63 38.600 38.600 37.229 1.371 25763 3799 1 12 . 1 1 68 68 LEU CA C 68 55.700 55.700 55.736 -0.036 25763 3800 1 12 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.615 -0.516 25763 3801 1 12 . 1 1 69 69 ARG N N 69 121.100 121.100 119.549 1.551 25763 3802 1 12 . 1 1 69 69 ARG H H 69 8.550 8.550 8.141 0.409 25763 3803 1 12 . 1 1 70 70 ASP C C 70 176.000 176.000 176.575 -0.575 25763 3804 1 12 . 1 1 70 70 ASP CA C 70 55.600 55.600 55.663 -0.063 25763 3805 1 12 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.498 -0.499 25763 3806 1 12 . 1 1 71 71 LYS N N 71 121.200 121.200 125.905 -4.705 25763 3807 1 12 . 1 1 71 71 LYS HA H 71 4.220 4.220 3.926 0.294 25763 3808 1 12 . 1 1 71 71 LYS C C 71 177.500 177.500 175.350 2.150 25763 3809 1 12 . 1 1 71 71 LYS CA C 71 57.100 57.100 57.304 -0.204 25763 3810 1 12 . 1 1 71 71 LYS CB C 71 32.600 32.600 30.328 2.272 25763 3811 1 12 . 1 1 71 71 LYS H H 71 8.260 8.260 8.751 -0.491 25763 3812 1 12 . 1 1 72 72 LEU N N 72 121.600 121.600 114.235 7.365 25763 3813 1 12 . 1 1 72 72 LEU CA C 72 55.300 55.300 55.809 -0.509 25763 3814 1 12 . 1 1 72 72 LEU CB C 72 42.100 42.100 41.432 0.668 25763 3815 1 12 . 1 1 72 72 LEU H H 72 8.330 8.330 8.304 0.026 25763 3816 1 12 . 1 1 73 73 ALA N N 73 123.900 123.900 121.177 2.723 25763 3817 1 12 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.421 -0.011 25763 3818 1 12 . 1 1 73 73 ALA C C 73 177.900 177.900 176.660 1.240 25763 3819 1 12 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.817 0.683 25763 3820 1 12 . 1 1 73 73 ALA CB C 73 18.800 18.800 20.560 -1.760 25763 3821 1 12 . 1 1 73 73 ALA H H 73 8.250 8.250 7.222 1.028 25763 3822 1 12 . 1 1 74 74 THR N N 74 112.000 112.000 113.044 -1.044 25763 3823 1 12 . 1 1 74 74 THR HA H 74 4.400 4.400 4.431 -0.031 25763 3824 1 12 . 1 1 74 74 THR C C 74 175.200 175.200 174.372 0.828 25763 3825 1 12 . 1 1 74 74 THR CA C 74 61.700 61.700 61.893 -0.193 25763 3826 1 12 . 1 1 74 74 THR CB C 74 69.700 69.700 68.922 0.778 25763 3827 1 12 . 1 1 74 74 THR H H 74 8.160 8.160 8.363 -0.203 25763 3828 1 12 . 1 1 75 75 GLY N N 75 110.600 110.600 111.848 -1.248 25763 3829 1 12 . 1 1 75 75 GLY C C 75 174.100 174.100 171.706 2.394 25763 3830 1 12 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.450 -0.050 25763 3831 1 12 . 1 1 75 75 GLY H H 75 8.540 8.540 8.245 0.295 25763 3832 1 12 . 1 1 76 76 ARG N N 76 120.100 120.100 117.936 2.164 25763 3833 1 12 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.631 -0.261 25763 3834 1 12 . 1 1 76 76 ARG C C 76 176.600 176.600 174.479 2.121 25763 3835 1 12 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.159 0.841 25763 3836 1 12 . 1 1 76 76 ARG CB C 76 30.400 30.400 35.184 -4.784 25763 3837 1 12 . 1 1 76 76 ARG H H 76 8.340 8.340 8.204 0.136 25763 3838 1 12 . 1 1 77 77 GLY N N 77 109.400 109.400 109.956 -0.556 25763 3839 1 12 . 1 1 77 77 GLY C C 77 173.800 173.800 171.950 1.850 25763 3840 1 12 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.268 -0.368 25763 3841 1 12 . 1 1 77 77 GLY H H 77 8.560 8.560 8.458 0.102 25763 3842 1 12 . 1 1 78 78 PHE N N 78 119.200 119.200 124.080 -4.880 25763 3843 1 12 . 1 1 78 78 PHE C C 78 175.500 175.500 173.133 2.367 25763 3844 1 12 . 1 1 78 78 PHE CA C 78 57.800 57.800 58.177 -0.377 25763 3845 1 12 . 1 1 78 78 PHE CB C 78 39.300 39.300 43.651 -4.351 25763 3846 1 12 . 1 1 78 78 PHE H H 78 8.270 8.270 8.951 -0.681 25763 3847 1 12 . 1 1 79 79 ASP N N 79 121.400 121.400 123.343 -1.943 25763 3848 1 12 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.549 0.081 25763 3849 1 12 . 1 1 79 79 ASP C C 79 175.000 175.000 174.179 0.821 25763 3850 1 12 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.216 0.084 25763 3851 1 12 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.161 -0.461 25763 3852 1 12 . 1 1 79 79 ASP H H 79 8.540 8.540 7.281 1.259 25763 3853 1 13 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.958 -9.458 25763 3854 1 13 . 1 1 2 2 PRO CB C 2 32.200 32.200 30.923 1.277 25763 3855 1 13 . 1 1 3 3 GLY N N 3 109.800 109.800 110.977 -1.177 25763 3856 1 13 . 1 1 3 3 GLY C C 3 174.100 174.100 174.675 -0.575 25763 3857 1 13 . 1 1 3 3 GLY CA C 3 45.100 45.100 45.240 -0.140 25763 3858 1 13 . 1 1 3 3 GLY H H 3 8.800 8.800 8.169 0.631 25763 3859 1 13 . 1 1 4 4 SER N N 4 115.200 115.200 116.428 -1.228 25763 3860 1 13 . 1 1 4 4 SER HA H 4 4.510 4.510 4.648 -0.138 25763 3861 1 13 . 1 1 4 4 SER C C 4 174.400 174.400 176.144 -1.744 25763 3862 1 13 . 1 1 4 4 SER CA C 4 58.200 58.200 57.389 0.811 25763 3863 1 13 . 1 1 4 4 SER CB C 4 63.500 63.500 64.337 -0.837 25763 3864 1 13 . 1 1 4 4 SER H H 4 8.280 8.280 7.839 0.441 25763 3865 1 13 . 1 1 5 5 MET HA H 5 4.200 4.200 4.285 -0.085 25763 3866 1 13 . 1 1 5 5 MET C C 5 175.800 175.800 176.789 -0.989 25763 3867 1 13 . 1 1 5 5 MET CA C 5 61.900 61.900 57.129 4.771 25763 3868 1 13 . 1 1 5 5 MET CB C 5 32.900 32.900 31.623 1.277 25763 3869 1 13 . 1 1 6 6 SER N N 6 119.700 119.700 111.046 8.654 25763 3870 1 13 . 1 1 6 6 SER HA H 6 4.550 4.550 4.164 0.386 25763 3871 1 13 . 1 1 6 6 SER C C 6 174.100 174.100 173.513 0.587 25763 3872 1 13 . 1 1 6 6 SER CA C 6 57.700 57.700 59.600 -1.901 25763 3873 1 13 . 1 1 6 6 SER CB C 6 63.500 63.500 62.118 1.382 25763 3874 1 13 . 1 1 6 6 SER H H 6 8.530 8.530 8.453 0.077 25763 3875 1 13 . 1 1 7 7 ILE N N 7 122.400 122.400 119.580 2.820 25763 3876 1 13 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.231 0.009 25763 3877 1 13 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.853 -0.353 25763 3878 1 13 . 1 1 7 7 ILE CB C 7 38.800 38.800 36.515 2.285 25763 3879 1 13 . 1 1 7 7 ILE H H 7 8.360 8.360 7.963 0.397 25763 3880 1 13 . 1 1 8 8 ASN N N 8 123.600 123.600 123.977 -0.377 25763 3881 1 13 . 1 1 8 8 ASN CA C 8 51.000 51.000 53.585 -2.585 25763 3882 1 13 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.192 -0.392 25763 3883 1 13 . 1 1 8 8 ASN H H 8 8.700 8.700 8.477 0.223 25763 3884 1 13 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.398 0.222 25763 3885 1 13 . 1 1 13 13 ASP C C 13 176.800 176.800 176.676 0.124 25763 3886 1 13 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.535 -0.835 25763 3887 1 13 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.947 -0.047 25763 3888 1 13 . 1 1 14 14 ASN N N 14 117.700 117.700 116.604 1.096 25763 3889 1 13 . 1 1 14 14 ASN C C 14 175.600 175.600 175.525 0.075 25763 3890 1 13 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.280 0.020 25763 3891 1 13 . 1 1 14 14 ASN CB C 14 39.100 39.100 39.797 -0.697 25763 3892 1 13 . 1 1 14 14 ASN H H 14 8.720 8.720 7.911 0.809 25763 3893 1 13 . 1 1 15 15 GLY N N 15 107.500 107.500 108.047 -0.547 25763 3894 1 13 . 1 1 15 15 GLY C C 15 172.600 172.600 173.189 -0.589 25763 3895 1 13 . 1 1 15 15 GLY CA C 15 45.100 45.100 45.773 -0.673 25763 3896 1 13 . 1 1 15 15 GLY H H 15 8.160 8.160 7.654 0.506 25763 3897 1 13 . 1 1 16 16 SER N N 16 114.000 114.000 118.157 -4.157 25763 3898 1 13 . 1 1 16 16 SER HA H 16 4.710 4.710 4.607 0.103 25763 3899 1 13 . 1 1 16 16 SER C C 16 174.100 174.100 173.034 1.066 25763 3900 1 13 . 1 1 16 16 SER CA C 16 57.300 57.300 57.258 0.042 25763 3901 1 13 . 1 1 16 16 SER CB C 16 64.200 64.200 65.163 -0.963 25763 3902 1 13 . 1 1 16 16 SER H H 16 7.780 7.780 7.689 0.091 25763 3903 1 13 . 1 1 17 17 PHE N N 17 123.000 123.000 127.383 -4.383 25763 3904 1 13 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.673 -0.973 25763 3905 1 13 . 1 1 17 17 PHE CB C 17 46.000 46.000 40.457 5.543 25763 3906 1 13 . 1 1 17 17 PHE H H 17 9.570 9.570 8.262 1.308 25763 3907 1 13 . 1 1 18 18 PHE N N 18 114.900 114.900 116.125 -1.225 25763 3908 1 13 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.562 1.198 25763 3909 1 13 . 1 1 18 18 PHE C C 18 177.000 177.000 173.064 3.936 25763 3910 1 13 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.321 0.079 25763 3911 1 13 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.113 3.087 25763 3912 1 13 . 1 1 18 18 PHE H H 18 9.680 9.680 6.181 3.499 25763 3913 1 13 . 1 1 19 19 VAL N N 19 117.000 117.000 121.519 -4.519 25763 3914 1 13 . 1 1 19 19 VAL C C 19 175.000 175.000 174.101 0.899 25763 3915 1 13 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.360 1.040 25763 3916 1 13 . 1 1 19 19 VAL CB C 19 33.000 33.000 36.240 -3.240 25763 3917 1 13 . 1 1 19 19 VAL H H 19 8.720 8.720 8.960 -0.240 25763 3918 1 13 . 1 1 20 20 LEU N N 20 126.400 126.400 128.663 -2.263 25763 3919 1 13 . 1 1 20 20 LEU HA H 20 5.870 5.870 5.186 0.684 25763 3920 1 13 . 1 1 20 20 LEU C C 20 176.800 176.800 174.718 2.082 25763 3921 1 13 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.240 -1.240 25763 3922 1 13 . 1 1 20 20 LEU H H 20 9.490 9.490 9.385 0.105 25763 3923 1 13 . 1 1 21 21 VAL N N 21 114.200 114.200 119.888 -5.688 25763 3924 1 13 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.467 0.273 25763 3925 1 13 . 1 1 21 21 VAL C C 21 174.600 174.600 174.324 0.276 25763 3926 1 13 . 1 1 21 21 VAL CA C 21 59.100 59.100 58.770 0.330 25763 3927 1 13 . 1 1 21 21 VAL H H 21 9.210 9.210 9.164 0.046 25763 3928 1 13 . 1 1 22 22 ASN N N 22 121.000 121.000 122.167 -1.167 25763 3929 1 13 . 1 1 22 22 ASN C C 22 177.500 177.500 176.223 1.277 25763 3930 1 13 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.233 -2.634 25763 3931 1 13 . 1 1 22 22 ASN H H 22 7.390 7.390 8.886 -1.496 25763 3932 1 13 . 1 1 23 23 ASP N N 23 117.600 117.600 121.325 -3.725 25763 3933 1 13 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.364 0.136 25763 3934 1 13 . 1 1 23 23 ASP C C 23 176.500 176.500 176.684 -0.184 25763 3935 1 13 . 1 1 23 23 ASP CA C 23 56.100 56.100 57.123 -1.023 25763 3936 1 13 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.444 -0.744 25763 3937 1 13 . 1 1 23 23 ASP H H 23 8.380 8.380 8.748 -0.368 25763 3938 1 13 . 1 1 24 24 GLU N N 24 117.900 117.900 118.763 -0.863 25763 3939 1 13 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.330 0.110 25763 3940 1 13 . 1 1 24 24 GLU C C 24 175.100 175.100 175.266 -0.166 25763 3941 1 13 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.303 -0.903 25763 3942 1 13 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.517 0.583 25763 3943 1 13 . 1 1 24 24 GLU H H 24 7.300 7.300 7.988 -0.688 25763 3944 1 13 . 1 1 25 25 GLU N N 25 113.000 113.000 113.968 -0.968 25763 3945 1 13 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.905 -0.075 25763 3946 1 13 . 1 1 25 25 GLU C C 25 175.900 175.900 175.105 0.795 25763 3947 1 13 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.494 0.206 25763 3948 1 13 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.298 -0.798 25763 3949 1 13 . 1 1 25 25 GLU H H 25 8.120 8.120 7.810 0.310 25763 3950 1 13 . 1 1 26 26 GLN N N 26 117.100 117.100 118.195 -1.095 25763 3951 1 13 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.166 0.204 25763 3952 1 13 . 1 1 26 26 GLN CA C 26 54.600 54.600 55.609 -1.009 25763 3953 1 13 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.618 -0.218 25763 3954 1 13 . 1 1 26 26 GLN H H 26 7.770 7.770 7.567 0.203 25763 3955 1 13 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.839 0.281 25763 3956 1 13 . 1 1 27 27 HIS C C 27 174.100 174.100 174.404 -0.304 25763 3957 1 13 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.830 0.070 25763 3958 1 13 . 1 1 28 28 SER N N 28 111.900 111.900 119.364 -7.464 25763 3959 1 13 . 1 1 28 28 SER C C 28 173.200 173.200 172.397 0.803 25763 3960 1 13 . 1 1 28 28 SER CA C 28 57.700 57.700 57.718 -0.018 25763 3961 1 13 . 1 1 28 28 SER H H 28 8.830 8.830 9.403 -0.573 25763 3962 1 13 . 1 1 29 29 LEU N N 29 126.000 126.000 118.774 7.226 25763 3963 1 13 . 1 1 29 29 LEU HA H 29 5.310 5.310 5.128 0.182 25763 3964 1 13 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.882 1.318 25763 3965 1 13 . 1 1 29 29 LEU H H 29 8.840 8.840 8.158 0.682 25763 3966 1 13 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.345 0.725 25763 3967 1 13 . 1 1 31 31 PRO C C 31 176.300 176.300 176.390 -0.090 25763 3968 1 13 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.511 -0.511 25763 3969 1 13 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.901 1.099 25763 3970 1 13 . 1 1 32 32 ALA N N 32 121.500 121.500 126.572 -5.072 25763 3971 1 13 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.959 -0.099 25763 3972 1 13 . 1 1 32 32 ALA C C 32 177.600 177.600 177.264 0.336 25763 3973 1 13 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.161 0.339 25763 3974 1 13 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.167 -0.567 25763 3975 1 13 . 1 1 32 32 ALA H H 32 7.940 7.940 7.564 0.376 25763 3976 1 13 . 1 1 33 33 PHE N N 33 111.800 111.800 116.546 -4.746 25763 3977 1 13 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.412 0.128 25763 3978 1 13 . 1 1 33 33 PHE C C 33 174.700 174.700 175.449 -0.749 25763 3979 1 13 . 1 1 33 33 PHE CA C 33 56.400 56.400 58.282 -1.882 25763 3980 1 13 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.889 -1.389 25763 3981 1 13 . 1 1 33 33 PHE H H 33 6.970 6.970 7.626 -0.656 25763 3982 1 13 . 1 1 34 34 ALA N N 34 125.700 125.700 121.849 3.851 25763 3983 1 13 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.602 0.028 25763 3984 1 13 . 1 1 34 34 ALA C C 34 177.700 177.700 175.116 2.584 25763 3985 1 13 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.225 -0.925 25763 3986 1 13 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.365 -1.165 25763 3987 1 13 . 1 1 34 34 ALA H H 34 7.080 7.080 7.570 -0.490 25763 3988 1 13 . 1 1 35 35 ASP N N 35 124.700 124.700 119.954 4.746 25763 3989 1 13 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.686 -0.186 25763 3990 1 13 . 1 1 35 35 ASP C C 35 176.400 176.400 175.559 0.841 25763 3991 1 13 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.234 0.766 25763 3992 1 13 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.807 -1.707 25763 3993 1 13 . 1 1 35 35 ASP H H 35 8.960 8.960 8.357 0.603 25763 3994 1 13 . 1 1 36 36 VAL N N 36 125.800 125.800 123.721 2.079 25763 3995 1 13 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.525 1.775 25763 3996 1 13 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.447 0.653 25763 3997 1 13 . 1 1 36 36 VAL H H 36 8.700 8.700 8.081 0.619 25763 3998 1 13 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.540 -0.270 25763 3999 1 13 . 1 1 37 37 PRO C C 37 175.600 175.600 176.220 -0.620 25763 4000 1 13 . 1 1 37 37 PRO CA C 37 62.100 62.100 63.195 -1.095 25763 4001 1 13 . 1 1 37 37 PRO CB C 37 31.400 31.400 31.447 -0.047 25763 4002 1 13 . 1 1 38 38 ALA N N 38 122.800 122.800 128.298 -5.498 25763 4003 1 13 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.686 0.544 25763 4004 1 13 . 1 1 38 38 ALA C C 38 179.100 179.100 178.108 0.992 25763 4005 1 13 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.889 0.311 25763 4006 1 13 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.020 -0.920 25763 4007 1 13 . 1 1 38 38 ALA H H 38 8.380 8.380 8.326 0.054 25763 4008 1 13 . 1 1 39 39 GLY N N 39 110.000 110.000 106.666 3.334 25763 4009 1 13 . 1 1 39 39 GLY C C 39 173.800 173.800 172.412 1.388 25763 4010 1 13 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.601 -0.001 25763 4011 1 13 . 1 1 39 39 GLY H H 39 8.880 8.880 8.333 0.547 25763 4012 1 13 . 1 1 40 40 TRP N N 40 120.300 120.300 118.048 2.252 25763 4013 1 13 . 1 1 40 40 TRP C C 40 174.800 174.800 174.478 0.322 25763 4014 1 13 . 1 1 40 40 TRP CA C 40 56.100 56.100 54.169 1.931 25763 4015 1 13 . 1 1 40 40 TRP CB C 40 31.600 31.600 31.577 0.023 25763 4016 1 13 . 1 1 40 40 TRP H H 40 7.810 7.810 6.456 1.354 25763 4017 1 13 . 1 1 41 41 ARG N N 41 117.800 117.800 120.409 -2.609 25763 4018 1 13 . 1 1 41 41 ARG C C 41 174.700 174.700 174.661 0.039 25763 4019 1 13 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.191 -0.192 25763 4020 1 13 . 1 1 41 41 ARG CB C 41 32.900 32.900 33.101 -0.201 25763 4021 1 13 . 1 1 41 41 ARG H H 41 9.260 9.260 9.181 0.079 25763 4022 1 13 . 1 1 42 42 VAL N N 42 122.400 122.400 125.646 -3.246 25763 4023 1 13 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.238 -0.148 25763 4024 1 13 . 1 1 42 42 VAL C C 42 177.900 177.900 175.383 2.517 25763 4025 1 13 . 1 1 42 42 VAL CA C 42 63.300 63.300 61.715 1.585 25763 4026 1 13 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.750 -0.550 25763 4027 1 13 . 1 1 42 42 VAL H H 42 8.790 8.790 8.956 -0.166 25763 4028 1 13 . 1 1 43 43 VAL N N 43 119.100 119.100 128.384 -9.284 25763 4029 1 13 . 1 1 43 43 VAL HA H 43 4.790 4.790 3.820 0.970 25763 4030 1 13 . 1 1 43 43 VAL C C 43 174.700 174.700 175.393 -0.693 25763 4031 1 13 . 1 1 43 43 VAL CA C 43 60.600 60.600 63.531 -2.931 25763 4032 1 13 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.517 1.183 25763 4033 1 13 . 1 1 43 43 VAL H H 43 9.140 9.140 8.706 0.434 25763 4034 1 13 . 1 1 44 44 HIS N N 44 119.200 119.200 116.026 3.174 25763 4035 1 13 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.808 -0.258 25763 4036 1 13 . 1 1 44 44 HIS C C 44 173.400 173.400 174.628 -1.228 25763 4037 1 13 . 1 1 44 44 HIS CA C 44 57.400 57.400 54.367 3.033 25763 4038 1 13 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.311 -0.611 25763 4039 1 13 . 1 1 44 44 HIS H H 44 7.720 7.720 7.790 -0.070 25763 4040 1 13 . 1 1 45 45 GLY N N 45 111.800 111.800 110.341 1.459 25763 4041 1 13 . 1 1 45 45 GLY C C 45 174.600 174.600 173.587 1.013 25763 4042 1 13 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.005 -1.905 25763 4043 1 13 . 1 1 45 45 GLY H H 45 7.680 7.680 8.569 -0.889 25763 4044 1 13 . 1 1 46 46 GLU N N 46 121.400 121.400 119.527 1.873 25763 4045 1 13 . 1 1 46 46 GLU HA H 46 4.190 4.190 4.188 0.002 25763 4046 1 13 . 1 1 46 46 GLU C C 46 175.200 175.200 174.876 0.324 25763 4047 1 13 . 1 1 46 46 GLU CA C 46 57.000 57.000 56.878 0.122 25763 4048 1 13 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.527 0.873 25763 4049 1 13 . 1 1 46 46 GLU H H 46 8.680 8.680 8.333 0.347 25763 4050 1 13 . 1 1 47 47 ALA N N 47 126.700 126.700 128.323 -1.623 25763 4051 1 13 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.676 0.124 25763 4052 1 13 . 1 1 47 47 ALA C C 47 174.900 174.900 176.024 -1.124 25763 4053 1 13 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.204 -0.204 25763 4054 1 13 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.209 0.791 25763 4055 1 13 . 1 1 47 47 ALA H H 47 9.430 9.430 8.368 1.062 25763 4056 1 13 . 1 1 48 48 ASP N N 48 117.400 117.400 119.298 -1.898 25763 4057 1 13 . 1 1 48 48 ASP C C 48 175.800 175.800 177.321 -1.521 25763 4058 1 13 . 1 1 48 48 ASP CA C 48 53.800 53.800 54.770 -0.970 25763 4059 1 13 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.702 -0.802 25763 4060 1 13 . 1 1 48 48 ASP H H 48 8.560 8.560 8.413 0.147 25763 4061 1 13 . 1 1 49 49 ARG N N 49 121.500 121.500 121.022 0.478 25763 4062 1 13 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.931 -0.571 25763 4063 1 13 . 1 1 49 49 ARG C C 49 179.000 179.000 177.993 1.007 25763 4064 1 13 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.430 1.470 25763 4065 1 13 . 1 1 49 49 ARG H H 49 9.310 9.310 8.651 0.659 25763 4066 1 13 . 1 1 50 50 ALA N N 50 119.000 119.000 122.128 -3.128 25763 4067 1 13 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.103 -0.033 25763 4068 1 13 . 1 1 50 50 ALA C C 50 180.500 180.500 179.490 1.010 25763 4069 1 13 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.902 0.298 25763 4070 1 13 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.834 -0.133 25763 4071 1 13 . 1 1 50 50 ALA H H 50 8.620 8.620 8.534 0.086 25763 4072 1 13 . 1 1 51 51 ALA N N 51 121.700 121.700 120.986 0.714 25763 4073 1 13 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.383 -0.053 25763 4074 1 13 . 1 1 51 51 ALA C C 51 182.300 182.300 180.157 2.143 25763 4075 1 13 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.676 -0.076 25763 4076 1 13 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.141 0.659 25763 4077 1 13 . 1 1 51 51 ALA H H 51 8.340 8.340 8.468 -0.128 25763 4078 1 13 . 1 1 52 52 CYS N N 52 117.900 117.900 117.447 0.453 25763 4079 1 13 . 1 1 52 52 CYS HA H 52 4.140 4.140 3.984 0.156 25763 4080 1 13 . 1 1 52 52 CYS C C 52 176.800 176.800 176.721 0.079 25763 4081 1 13 . 1 1 52 52 CYS CA C 52 64.500 64.500 63.548 0.952 25763 4082 1 13 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.242 0.858 25763 4083 1 13 . 1 1 52 52 CYS H H 52 8.300 8.300 8.087 0.213 25763 4084 1 13 . 1 1 53 53 LEU N N 53 120.600 120.600 119.297 1.303 25763 4085 1 13 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.924 0.246 25763 4086 1 13 . 1 1 53 53 LEU C C 53 179.900 179.900 179.225 0.675 25763 4087 1 13 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.578 0.521 25763 4088 1 13 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.510 -1.010 25763 4089 1 13 . 1 1 53 53 LEU H H 53 8.780 8.780 8.365 0.415 25763 4090 1 13 . 1 1 54 54 GLU N N 54 120.600 120.600 119.590 1.010 25763 4091 1 13 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.036 0.084 25763 4092 1 13 . 1 1 54 54 GLU C C 54 178.300 178.300 178.744 -0.444 25763 4093 1 13 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.108 0.192 25763 4094 1 13 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.560 -0.160 25763 4095 1 13 . 1 1 54 54 GLU H H 54 8.350 8.350 8.240 0.110 25763 4096 1 13 . 1 1 55 55 TYR N N 55 120.800 120.800 122.281 -1.481 25763 4097 1 13 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.414 -0.264 25763 4098 1 13 . 1 1 55 55 TYR CA C 55 61.700 61.700 60.521 1.179 25763 4099 1 13 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.291 -0.691 25763 4100 1 13 . 1 1 55 55 TYR H H 55 7.890 7.890 8.263 -0.373 25763 4101 1 13 . 1 1 56 56 ILE C C 56 176.700 176.700 176.730 -0.030 25763 4102 1 13 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.833 0.367 25763 4103 1 13 . 1 1 57 57 GLU N N 57 119.400 119.400 117.830 1.570 25763 4104 1 13 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.084 -0.054 25763 4105 1 13 . 1 1 57 57 GLU C C 57 177.700 177.700 177.754 -0.054 25763 4106 1 13 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.318 0.182 25763 4107 1 13 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.748 -0.848 25763 4108 1 13 . 1 1 57 57 GLU H H 57 8.290 8.290 7.628 0.662 25763 4109 1 13 . 1 1 58 58 GLU N N 58 115.000 115.000 117.056 -2.056 25763 4110 1 13 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.156 -0.276 25763 4111 1 13 . 1 1 58 58 GLU C C 58 177.600 177.600 177.003 0.597 25763 4112 1 13 . 1 1 58 58 GLU CA C 58 57.700 57.700 58.054 -0.354 25763 4113 1 13 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.308 -0.908 25763 4114 1 13 . 1 1 58 58 GLU H H 58 7.780 7.780 7.856 -0.076 25763 4115 1 13 . 1 1 59 59 HIS N N 59 113.700 113.700 116.640 -2.940 25763 4116 1 13 . 1 1 59 59 HIS CA C 59 58.400 58.400 57.030 1.370 25763 4117 1 13 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.450 -0.450 25763 4118 1 13 . 1 1 59 59 HIS H H 59 7.420 7.420 7.896 -0.476 25763 4119 1 13 . 1 1 63 63 ILE CB C 63 38.600 38.600 38.885 -0.285 25763 4120 1 13 . 1 1 68 68 LEU CA C 68 55.700 55.700 56.427 -0.727 25763 4121 1 13 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.666 -0.566 25763 4122 1 13 . 1 1 69 69 ARG N N 69 121.100 121.100 119.866 1.234 25763 4123 1 13 . 1 1 69 69 ARG H H 69 8.550 8.550 7.954 0.596 25763 4124 1 13 . 1 1 70 70 ASP C C 70 176.000 176.000 177.402 -1.402 25763 4125 1 13 . 1 1 70 70 ASP CA C 70 55.600 55.600 54.410 1.190 25763 4126 1 13 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.663 -0.663 25763 4127 1 13 . 1 1 71 71 LYS N N 71 121.200 121.200 123.053 -1.853 25763 4128 1 13 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.428 -0.208 25763 4129 1 13 . 1 1 71 71 LYS C C 71 177.500 177.500 176.839 0.661 25763 4130 1 13 . 1 1 71 71 LYS CA C 71 57.100 57.100 57.772 -0.672 25763 4131 1 13 . 1 1 71 71 LYS CB C 71 32.600 32.600 32.577 0.023 25763 4132 1 13 . 1 1 71 71 LYS H H 71 8.260 8.260 8.866 -0.606 25763 4133 1 13 . 1 1 72 72 LEU N N 72 121.600 121.600 119.073 2.527 25763 4134 1 13 . 1 1 72 72 LEU CA C 72 55.300 55.300 53.586 1.714 25763 4135 1 13 . 1 1 72 72 LEU CB C 72 42.100 42.100 42.877 -0.777 25763 4136 1 13 . 1 1 72 72 LEU H H 72 8.330 8.330 8.040 0.290 25763 4137 1 13 . 1 1 73 73 ALA N N 73 123.900 123.900 123.878 0.022 25763 4138 1 13 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.308 0.102 25763 4139 1 13 . 1 1 73 73 ALA C C 73 177.900 177.900 177.501 0.399 25763 4140 1 13 . 1 1 73 73 ALA CA C 73 52.500 52.500 52.410 0.090 25763 4141 1 13 . 1 1 73 73 ALA CB C 73 18.800 18.800 17.600 1.200 25763 4142 1 13 . 1 1 73 73 ALA H H 73 8.250 8.250 7.343 0.907 25763 4143 1 13 . 1 1 74 74 THR N N 74 112.000 112.000 115.650 -3.650 25763 4144 1 13 . 1 1 74 74 THR HA H 74 4.400 4.400 4.401 -0.001 25763 4145 1 13 . 1 1 74 74 THR C C 74 175.200 175.200 175.941 -0.741 25763 4146 1 13 . 1 1 74 74 THR CA C 74 61.700 61.700 61.502 0.198 25763 4147 1 13 . 1 1 74 74 THR CB C 74 69.700 69.700 68.614 1.086 25763 4148 1 13 . 1 1 74 74 THR H H 74 8.160 8.160 7.789 0.371 25763 4149 1 13 . 1 1 75 75 GLY N N 75 110.600 110.600 115.070 -4.470 25763 4150 1 13 . 1 1 75 75 GLY C C 75 174.100 174.100 173.559 0.541 25763 4151 1 13 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.859 0.541 25763 4152 1 13 . 1 1 75 75 GLY H H 75 8.540 8.540 8.790 -0.250 25763 4153 1 13 . 1 1 76 76 ARG N N 76 120.100 120.100 121.238 -1.138 25763 4154 1 13 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.397 -0.027 25763 4155 1 13 . 1 1 76 76 ARG C C 76 176.600 176.600 175.226 1.374 25763 4156 1 13 . 1 1 76 76 ARG CA C 76 56.000 56.000 56.303 -0.303 25763 4157 1 13 . 1 1 76 76 ARG CB C 76 30.400 30.400 32.315 -1.915 25763 4158 1 13 . 1 1 76 76 ARG H H 76 8.340 8.340 8.007 0.333 25763 4159 1 13 . 1 1 77 77 GLY N N 77 109.400 109.400 111.694 -2.294 25763 4160 1 13 . 1 1 77 77 GLY C C 77 173.800 173.800 173.748 0.052 25763 4161 1 13 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.687 0.213 25763 4162 1 13 . 1 1 77 77 GLY H H 77 8.560 8.560 8.242 0.318 25763 4163 1 13 . 1 1 78 78 PHE N N 78 119.200 119.200 120.881 -1.681 25763 4164 1 13 . 1 1 78 78 PHE C C 78 175.500 175.500 175.735 -0.235 25763 4165 1 13 . 1 1 78 78 PHE CA C 78 57.800 57.800 57.815 -0.015 25763 4166 1 13 . 1 1 78 78 PHE CB C 78 39.300 39.300 39.700 -0.400 25763 4167 1 13 . 1 1 78 78 PHE H H 78 8.270 8.270 8.776 -0.506 25763 4168 1 13 . 1 1 79 79 ASP N N 79 121.400 121.400 121.107 0.293 25763 4169 1 13 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.523 0.107 25763 4170 1 13 . 1 1 79 79 ASP C C 79 175.000 175.000 175.995 -0.995 25763 4171 1 13 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.326 -0.026 25763 4172 1 13 . 1 1 79 79 ASP CB C 79 40.700 40.700 39.263 1.438 25763 4173 1 13 . 1 1 79 79 ASP H H 79 8.540 8.540 8.364 0.176 25763 4174 1 14 . 1 1 2 2 PRO CA C 2 53.500 53.500 63.565 -10.065 25763 4175 1 14 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.224 -0.024 25763 4176 1 14 . 1 1 3 3 GLY N N 3 109.800 109.800 105.794 4.006 25763 4177 1 14 . 1 1 3 3 GLY C C 3 174.100 174.100 173.750 0.350 25763 4178 1 14 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.333 0.767 25763 4179 1 14 . 1 1 3 3 GLY H H 3 8.800 8.800 8.125 0.675 25763 4180 1 14 . 1 1 4 4 SER N N 4 115.200 115.200 119.176 -3.976 25763 4181 1 14 . 1 1 4 4 SER HA H 4 4.510 4.510 4.403 0.107 25763 4182 1 14 . 1 1 4 4 SER C C 4 174.400 174.400 174.202 0.198 25763 4183 1 14 . 1 1 4 4 SER CA C 4 58.200 58.200 59.265 -1.065 25763 4184 1 14 . 1 1 4 4 SER CB C 4 63.500 63.500 62.998 0.502 25763 4185 1 14 . 1 1 4 4 SER H H 4 8.280 8.280 8.047 0.233 25763 4186 1 14 . 1 1 5 5 MET HA H 5 4.200 4.200 4.489 -0.289 25763 4187 1 14 . 1 1 5 5 MET C C 5 175.800 175.800 175.909 -0.109 25763 4188 1 14 . 1 1 5 5 MET CA C 5 61.900 61.900 54.860 7.040 25763 4189 1 14 . 1 1 5 5 MET CB C 5 32.900 32.900 32.583 0.317 25763 4190 1 14 . 1 1 6 6 SER N N 6 119.700 119.700 113.682 6.018 25763 4191 1 14 . 1 1 6 6 SER HA H 6 4.550 4.550 4.594 -0.044 25763 4192 1 14 . 1 1 6 6 SER C C 6 174.100 174.100 173.442 0.658 25763 4193 1 14 . 1 1 6 6 SER CA C 6 57.700 57.700 57.444 0.256 25763 4194 1 14 . 1 1 6 6 SER CB C 6 63.500 63.500 65.511 -2.011 25763 4195 1 14 . 1 1 6 6 SER H H 6 8.530 8.530 7.737 0.793 25763 4196 1 14 . 1 1 7 7 ILE N N 7 122.400 122.400 123.551 -1.151 25763 4197 1 14 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.253 -0.013 25763 4198 1 14 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.584 -0.083 25763 4199 1 14 . 1 1 7 7 ILE CB C 7 38.800 38.800 37.736 1.064 25763 4200 1 14 . 1 1 7 7 ILE H H 7 8.360 8.360 8.370 -0.010 25763 4201 1 14 . 1 1 8 8 ASN N N 8 123.600 123.600 128.437 -4.837 25763 4202 1 14 . 1 1 8 8 ASN CA C 8 51.000 51.000 51.765 -0.765 25763 4203 1 14 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.382 0.418 25763 4204 1 14 . 1 1 8 8 ASN H H 8 8.700 8.700 8.684 0.016 25763 4205 1 14 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.447 0.173 25763 4206 1 14 . 1 1 13 13 ASP C C 13 176.800 176.800 178.013 -1.213 25763 4207 1 14 . 1 1 13 13 ASP CA C 13 55.700 55.700 57.221 -1.520 25763 4208 1 14 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.250 0.650 25763 4209 1 14 . 1 1 14 14 ASN N N 14 117.700 117.700 117.073 0.627 25763 4210 1 14 . 1 1 14 14 ASN C C 14 175.600 175.600 176.716 -1.116 25763 4211 1 14 . 1 1 14 14 ASN CA C 14 53.300 53.300 52.673 0.627 25763 4212 1 14 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.544 0.556 25763 4213 1 14 . 1 1 14 14 ASN H H 14 8.720 8.720 8.000 0.720 25763 4214 1 14 . 1 1 15 15 GLY N N 15 107.500 107.500 109.032 -1.532 25763 4215 1 14 . 1 1 15 15 GLY C C 15 172.600 172.600 174.659 -2.059 25763 4216 1 14 . 1 1 15 15 GLY CA C 15 45.100 45.100 45.840 -0.740 25763 4217 1 14 . 1 1 15 15 GLY H H 15 8.160 8.160 7.892 0.268 25763 4218 1 14 . 1 1 16 16 SER N N 16 114.000 114.000 116.168 -2.168 25763 4219 1 14 . 1 1 16 16 SER HA H 16 4.710 4.710 4.715 -0.005 25763 4220 1 14 . 1 1 16 16 SER C C 16 174.100 174.100 173.297 0.803 25763 4221 1 14 . 1 1 16 16 SER CA C 16 57.300 57.300 57.602 -0.303 25763 4222 1 14 . 1 1 16 16 SER CB C 16 64.200 64.200 64.769 -0.569 25763 4223 1 14 . 1 1 16 16 SER H H 16 7.780 7.780 7.631 0.149 25763 4224 1 14 . 1 1 17 17 PHE N N 17 123.000 123.000 126.130 -3.130 25763 4225 1 14 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.448 -0.748 25763 4226 1 14 . 1 1 17 17 PHE CB C 17 46.000 46.000 38.655 7.345 25763 4227 1 14 . 1 1 17 17 PHE H H 17 9.570 9.570 7.844 1.726 25763 4228 1 14 . 1 1 18 18 PHE N N 18 114.900 114.900 123.766 -8.866 25763 4229 1 14 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.209 0.551 25763 4230 1 14 . 1 1 18 18 PHE C C 18 177.000 177.000 173.106 3.894 25763 4231 1 14 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.094 0.306 25763 4232 1 14 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.233 2.966 25763 4233 1 14 . 1 1 18 18 PHE H H 18 9.680 9.680 7.023 2.657 25763 4234 1 14 . 1 1 19 19 VAL N N 19 117.000 117.000 121.710 -4.710 25763 4235 1 14 . 1 1 19 19 VAL C C 19 175.000 175.000 173.733 1.267 25763 4236 1 14 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.368 1.032 25763 4237 1 14 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.776 -2.776 25763 4238 1 14 . 1 1 19 19 VAL H H 19 8.720 8.720 9.138 -0.418 25763 4239 1 14 . 1 1 20 20 LEU N N 20 126.400 126.400 128.677 -2.277 25763 4240 1 14 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.743 1.127 25763 4241 1 14 . 1 1 20 20 LEU C C 20 176.800 176.800 174.363 2.437 25763 4242 1 14 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.407 -1.407 25763 4243 1 14 . 1 1 20 20 LEU H H 20 9.490 9.490 9.087 0.403 25763 4244 1 14 . 1 1 21 21 VAL N N 21 114.200 114.200 126.316 -12.116 25763 4245 1 14 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.138 0.602 25763 4246 1 14 . 1 1 21 21 VAL C C 21 174.600 174.600 175.152 -0.552 25763 4247 1 14 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.745 -1.645 25763 4248 1 14 . 1 1 21 21 VAL H H 21 9.210 9.210 9.052 0.158 25763 4249 1 14 . 1 1 22 22 ASN N N 22 121.000 121.000 125.922 -4.922 25763 4250 1 14 . 1 1 22 22 ASN C C 22 177.500 177.500 176.127 1.373 25763 4251 1 14 . 1 1 22 22 ASN CA C 22 49.600 49.600 53.072 -3.472 25763 4252 1 14 . 1 1 22 22 ASN H H 22 7.390 7.390 8.953 -1.563 25763 4253 1 14 . 1 1 23 23 ASP N N 23 117.600 117.600 120.959 -3.359 25763 4254 1 14 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.411 0.089 25763 4255 1 14 . 1 1 23 23 ASP C C 23 176.500 176.500 176.510 -0.010 25763 4256 1 14 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.877 -0.777 25763 4257 1 14 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.264 -0.563 25763 4258 1 14 . 1 1 23 23 ASP H H 23 8.380 8.380 8.866 -0.486 25763 4259 1 14 . 1 1 24 24 GLU N N 24 117.900 117.900 118.826 -0.926 25763 4260 1 14 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.320 0.120 25763 4261 1 14 . 1 1 24 24 GLU C C 24 175.100 175.100 175.846 -0.746 25763 4262 1 14 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.475 -1.075 25763 4263 1 14 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.817 0.283 25763 4264 1 14 . 1 1 24 24 GLU H H 24 7.300 7.300 8.027 -0.727 25763 4265 1 14 . 1 1 25 25 GLU N N 25 113.000 113.000 114.209 -1.209 25763 4266 1 14 . 1 1 25 25 GLU HA H 25 3.830 3.830 4.012 -0.182 25763 4267 1 14 . 1 1 25 25 GLU C C 25 175.900 175.900 174.853 1.047 25763 4268 1 14 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.255 0.445 25763 4269 1 14 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.816 -1.316 25763 4270 1 14 . 1 1 25 25 GLU H H 25 8.120 8.120 7.845 0.275 25763 4271 1 14 . 1 1 26 26 GLN N N 26 117.100 117.100 118.813 -1.713 25763 4272 1 14 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.223 0.147 25763 4273 1 14 . 1 1 26 26 GLN CA C 26 54.600 54.600 55.484 -0.884 25763 4274 1 14 . 1 1 26 26 GLN CB C 26 29.400 29.400 28.713 0.687 25763 4275 1 14 . 1 1 26 26 GLN H H 26 7.770 7.770 7.923 -0.153 25763 4276 1 14 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.587 0.533 25763 4277 1 14 . 1 1 27 27 HIS C C 27 174.100 174.100 174.609 -0.509 25763 4278 1 14 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.965 -0.065 25763 4279 1 14 . 1 1 28 28 SER N N 28 111.900 111.900 118.298 -6.398 25763 4280 1 14 . 1 1 28 28 SER C C 28 173.200 173.200 172.708 0.492 25763 4281 1 14 . 1 1 28 28 SER CA C 28 57.700 57.700 56.093 1.607 25763 4282 1 14 . 1 1 28 28 SER H H 28 8.830 8.830 9.059 -0.229 25763 4283 1 14 . 1 1 29 29 LEU N N 29 126.000 126.000 118.058 7.942 25763 4284 1 14 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.784 0.526 25763 4285 1 14 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.492 1.708 25763 4286 1 14 . 1 1 29 29 LEU H H 29 8.840 8.840 8.297 0.543 25763 4287 1 14 . 1 1 31 31 PRO HA H 31 5.070 5.070 3.890 1.180 25763 4288 1 14 . 1 1 31 31 PRO C C 31 176.300 176.300 176.213 0.087 25763 4289 1 14 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.409 -0.409 25763 4290 1 14 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.482 1.518 25763 4291 1 14 . 1 1 32 32 ALA N N 32 121.500 121.500 126.516 -5.016 25763 4292 1 14 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.491 0.369 25763 4293 1 14 . 1 1 32 32 ALA C C 32 177.600 177.600 177.120 0.480 25763 4294 1 14 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.400 0.100 25763 4295 1 14 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.157 -0.557 25763 4296 1 14 . 1 1 32 32 ALA H H 32 7.940 7.940 7.584 0.356 25763 4297 1 14 . 1 1 33 33 PHE N N 33 111.800 111.800 112.495 -0.695 25763 4298 1 14 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.514 0.026 25763 4299 1 14 . 1 1 33 33 PHE C C 33 174.700 174.700 174.812 -0.112 25763 4300 1 14 . 1 1 33 33 PHE CA C 33 56.400 56.400 56.253 0.147 25763 4301 1 14 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.572 -1.072 25763 4302 1 14 . 1 1 33 33 PHE H H 33 6.970 6.970 7.122 -0.152 25763 4303 1 14 . 1 1 34 34 ALA N N 34 125.700 125.700 122.762 2.938 25763 4304 1 14 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.464 0.166 25763 4305 1 14 . 1 1 34 34 ALA C C 34 177.700 177.700 175.382 2.318 25763 4306 1 14 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.310 -1.010 25763 4307 1 14 . 1 1 34 34 ALA CB C 34 20.200 20.200 20.835 -0.635 25763 4308 1 14 . 1 1 34 34 ALA H H 34 7.080 7.080 7.395 -0.315 25763 4309 1 14 . 1 1 35 35 ASP N N 35 124.700 124.700 118.953 5.747 25763 4310 1 14 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.674 -0.174 25763 4311 1 14 . 1 1 35 35 ASP C C 35 176.400 176.400 175.736 0.664 25763 4312 1 14 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.792 1.208 25763 4313 1 14 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.574 -1.474 25763 4314 1 14 . 1 1 35 35 ASP H H 35 8.960 8.960 8.396 0.564 25763 4315 1 14 . 1 1 36 36 VAL N N 36 125.800 125.800 126.690 -0.890 25763 4316 1 14 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.159 2.141 25763 4317 1 14 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.711 0.389 25763 4318 1 14 . 1 1 36 36 VAL H H 36 8.700 8.700 8.395 0.305 25763 4319 1 14 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.543 -0.273 25763 4320 1 14 . 1 1 37 37 PRO C C 37 175.600 175.600 176.895 -1.295 25763 4321 1 14 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.926 -0.826 25763 4322 1 14 . 1 1 37 37 PRO CB C 37 31.400 31.400 31.886 -0.486 25763 4323 1 14 . 1 1 38 38 ALA N N 38 122.800 122.800 127.906 -5.106 25763 4324 1 14 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.626 0.604 25763 4325 1 14 . 1 1 38 38 ALA C C 38 179.100 179.100 178.046 1.054 25763 4326 1 14 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.834 0.367 25763 4327 1 14 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.007 -0.907 25763 4328 1 14 . 1 1 38 38 ALA H H 38 8.380 8.380 8.278 0.102 25763 4329 1 14 . 1 1 39 39 GLY N N 39 110.000 110.000 107.106 2.894 25763 4330 1 14 . 1 1 39 39 GLY C C 39 173.800 173.800 172.607 1.193 25763 4331 1 14 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.557 0.043 25763 4332 1 14 . 1 1 39 39 GLY H H 39 8.880 8.880 8.276 0.604 25763 4333 1 14 . 1 1 40 40 TRP N N 40 120.300 120.300 117.271 3.029 25763 4334 1 14 . 1 1 40 40 TRP C C 40 174.800 174.800 173.842 0.958 25763 4335 1 14 . 1 1 40 40 TRP CA C 40 56.100 56.100 54.279 1.821 25763 4336 1 14 . 1 1 40 40 TRP CB C 40 31.600 31.600 31.116 0.484 25763 4337 1 14 . 1 1 40 40 TRP H H 40 7.810 7.810 6.489 1.321 25763 4338 1 14 . 1 1 41 41 ARG N N 41 117.800 117.800 120.781 -2.981 25763 4339 1 14 . 1 1 41 41 ARG C C 41 174.700 174.700 174.183 0.517 25763 4340 1 14 . 1 1 41 41 ARG CA C 41 54.000 54.000 55.716 -1.716 25763 4341 1 14 . 1 1 41 41 ARG CB C 41 32.900 32.900 34.558 -1.658 25763 4342 1 14 . 1 1 41 41 ARG H H 41 9.260 9.260 9.131 0.129 25763 4343 1 14 . 1 1 42 42 VAL N N 42 122.400 122.400 126.874 -4.474 25763 4344 1 14 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.149 -0.059 25763 4345 1 14 . 1 1 42 42 VAL C C 42 177.900 177.900 175.122 2.778 25763 4346 1 14 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.195 1.105 25763 4347 1 14 . 1 1 42 42 VAL CB C 42 32.200 32.200 33.134 -0.934 25763 4348 1 14 . 1 1 42 42 VAL H H 42 8.790 8.790 8.847 -0.057 25763 4349 1 14 . 1 1 43 43 VAL N N 43 119.100 119.100 129.166 -10.066 25763 4350 1 14 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.107 0.683 25763 4351 1 14 . 1 1 43 43 VAL C C 43 174.700 174.700 175.074 -0.374 25763 4352 1 14 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.788 -2.188 25763 4353 1 14 . 1 1 43 43 VAL CB C 43 33.700 33.700 33.517 0.184 25763 4354 1 14 . 1 1 43 43 VAL H H 43 9.140 9.140 8.921 0.219 25763 4355 1 14 . 1 1 44 44 HIS N N 44 119.200 119.200 116.951 2.249 25763 4356 1 14 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.780 -0.230 25763 4357 1 14 . 1 1 44 44 HIS C C 44 173.400 173.400 174.185 -0.785 25763 4358 1 14 . 1 1 44 44 HIS CA C 44 57.400 57.400 54.928 2.472 25763 4359 1 14 . 1 1 44 44 HIS CB C 44 32.700 32.700 32.976 -0.276 25763 4360 1 14 . 1 1 44 44 HIS H H 44 7.720 7.720 7.797 -0.077 25763 4361 1 14 . 1 1 45 45 GLY N N 45 111.800 111.800 110.617 1.183 25763 4362 1 14 . 1 1 45 45 GLY C C 45 174.600 174.600 173.818 0.782 25763 4363 1 14 . 1 1 45 45 GLY CA C 45 42.100 42.100 43.859 -1.759 25763 4364 1 14 . 1 1 45 45 GLY H H 45 7.680 7.680 8.444 -0.764 25763 4365 1 14 . 1 1 46 46 GLU N N 46 121.400 121.400 118.098 3.302 25763 4366 1 14 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.970 0.220 25763 4367 1 14 . 1 1 46 46 GLU C C 46 175.200 175.200 175.711 -0.511 25763 4368 1 14 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.059 -0.059 25763 4369 1 14 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.135 1.265 25763 4370 1 14 . 1 1 46 46 GLU H H 46 8.680 8.680 8.447 0.233 25763 4371 1 14 . 1 1 47 47 ALA N N 47 126.700 126.700 128.914 -2.214 25763 4372 1 14 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.673 0.127 25763 4373 1 14 . 1 1 47 47 ALA C C 47 174.900 174.900 176.278 -1.378 25763 4374 1 14 . 1 1 47 47 ALA CA C 47 51.000 51.000 50.848 0.152 25763 4375 1 14 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.838 0.162 25763 4376 1 14 . 1 1 47 47 ALA H H 47 9.430 9.430 8.242 1.188 25763 4377 1 14 . 1 1 48 48 ASP N N 48 117.400 117.400 119.191 -1.791 25763 4378 1 14 . 1 1 48 48 ASP C C 48 175.800 175.800 177.320 -1.520 25763 4379 1 14 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.778 0.022 25763 4380 1 14 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.241 -1.341 25763 4381 1 14 . 1 1 48 48 ASP H H 48 8.560 8.560 8.441 0.119 25763 4382 1 14 . 1 1 49 49 ARG N N 49 121.500 121.500 120.653 0.847 25763 4383 1 14 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.929 -0.569 25763 4384 1 14 . 1 1 49 49 ARG C C 49 179.000 179.000 178.186 0.814 25763 4385 1 14 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.845 1.055 25763 4386 1 14 . 1 1 49 49 ARG H H 49 9.310 9.310 8.710 0.600 25763 4387 1 14 . 1 1 50 50 ALA N N 50 119.000 119.000 119.919 -0.919 25763 4388 1 14 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.112 -0.042 25763 4389 1 14 . 1 1 50 50 ALA C C 50 180.500 180.500 179.517 0.983 25763 4390 1 14 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.842 0.358 25763 4391 1 14 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.941 -0.240 25763 4392 1 14 . 1 1 50 50 ALA H H 50 8.620 8.620 8.559 0.061 25763 4393 1 14 . 1 1 51 51 ALA N N 51 121.700 121.700 121.206 0.494 25763 4394 1 14 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.414 -0.084 25763 4395 1 14 . 1 1 51 51 ALA C C 51 182.300 182.300 179.378 2.922 25763 4396 1 14 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.295 0.305 25763 4397 1 14 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.139 0.661 25763 4398 1 14 . 1 1 51 51 ALA H H 51 8.340 8.340 7.774 0.566 25763 4399 1 14 . 1 1 52 52 CYS N N 52 117.900 117.900 119.306 -1.406 25763 4400 1 14 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.438 -0.298 25763 4401 1 14 . 1 1 52 52 CYS C C 52 176.800 176.800 176.951 -0.151 25763 4402 1 14 . 1 1 52 52 CYS CA C 52 64.500 64.500 61.918 2.582 25763 4403 1 14 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.759 0.341 25763 4404 1 14 . 1 1 52 52 CYS H H 52 8.300 8.300 8.094 0.206 25763 4405 1 14 . 1 1 53 53 LEU N N 53 120.600 120.600 118.486 2.114 25763 4406 1 14 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.997 0.173 25763 4407 1 14 . 1 1 53 53 LEU C C 53 179.900 179.900 179.126 0.774 25763 4408 1 14 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.660 0.440 25763 4409 1 14 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.664 -1.164 25763 4410 1 14 . 1 1 53 53 LEU H H 53 8.780 8.780 8.196 0.584 25763 4411 1 14 . 1 1 54 54 GLU N N 54 120.600 120.600 120.269 0.331 25763 4412 1 14 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.059 0.061 25763 4413 1 14 . 1 1 54 54 GLU C C 54 178.300 178.300 178.853 -0.553 25763 4414 1 14 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.567 -0.267 25763 4415 1 14 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.622 -0.222 25763 4416 1 14 . 1 1 54 54 GLU H H 54 8.350 8.350 7.787 0.563 25763 4417 1 14 . 1 1 55 55 TYR N N 55 120.800 120.800 121.282 -0.482 25763 4418 1 14 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.211 -0.061 25763 4419 1 14 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.093 0.607 25763 4420 1 14 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.326 -0.726 25763 4421 1 14 . 1 1 55 55 TYR H H 55 7.890 7.890 8.402 -0.512 25763 4422 1 14 . 1 1 56 56 ILE C C 56 176.700 176.700 176.484 0.216 25763 4423 1 14 . 1 1 56 56 ILE CB C 56 38.200 38.200 38.195 0.005 25763 4424 1 14 . 1 1 57 57 GLU N N 57 119.400 119.400 118.410 0.990 25763 4425 1 14 . 1 1 57 57 GLU HA H 57 4.030 4.030 3.786 0.244 25763 4426 1 14 . 1 1 57 57 GLU C C 57 177.700 177.700 178.366 -0.666 25763 4427 1 14 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.390 0.110 25763 4428 1 14 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.773 -0.874 25763 4429 1 14 . 1 1 57 57 GLU H H 57 8.290 8.290 7.331 0.959 25763 4430 1 14 . 1 1 58 58 GLU N N 58 115.000 115.000 117.032 -2.032 25763 4431 1 14 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.102 -0.222 25763 4432 1 14 . 1 1 58 58 GLU C C 58 177.600 177.600 176.197 1.403 25763 4433 1 14 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.182 0.518 25763 4434 1 14 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.247 -0.847 25763 4435 1 14 . 1 1 58 58 GLU H H 58 7.780 7.780 7.955 -0.175 25763 4436 1 14 . 1 1 59 59 HIS N N 59 113.700 113.700 114.425 -0.725 25763 4437 1 14 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.824 1.576 25763 4438 1 14 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.795 -0.795 25763 4439 1 14 . 1 1 59 59 HIS H H 59 7.420 7.420 7.740 -0.320 25763 4440 1 14 . 1 1 63 63 ILE CB C 63 38.600 38.600 39.305 -0.705 25763 4441 1 14 . 1 1 68 68 LEU CA C 68 55.700 55.700 55.052 0.648 25763 4442 1 14 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.888 -0.788 25763 4443 1 14 . 1 1 69 69 ARG N N 69 121.100 121.100 118.540 2.560 25763 4444 1 14 . 1 1 69 69 ARG H H 69 8.550 8.550 8.204 0.346 25763 4445 1 14 . 1 1 70 70 ASP C C 70 176.000 176.000 175.847 0.153 25763 4446 1 14 . 1 1 70 70 ASP CA C 70 55.600 55.600 55.037 0.563 25763 4447 1 14 . 1 1 70 70 ASP CB C 70 41.000 41.000 40.268 0.732 25763 4448 1 14 . 1 1 71 71 LYS N N 71 121.200 121.200 119.164 2.036 25763 4449 1 14 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.232 -0.012 25763 4450 1 14 . 1 1 71 71 LYS C C 71 177.500 177.500 176.755 0.745 25763 4451 1 14 . 1 1 71 71 LYS CA C 71 57.100 57.100 56.402 0.698 25763 4452 1 14 . 1 1 71 71 LYS CB C 71 32.600 32.600 32.006 0.594 25763 4453 1 14 . 1 1 71 71 LYS H H 71 8.260 8.260 8.318 -0.058 25763 4454 1 14 . 1 1 72 72 LEU N N 72 121.600 121.600 118.968 2.632 25763 4455 1 14 . 1 1 72 72 LEU CA C 72 55.300 55.300 56.607 -1.307 25763 4456 1 14 . 1 1 72 72 LEU CB C 72 42.100 42.100 42.298 -0.199 25763 4457 1 14 . 1 1 72 72 LEU H H 72 8.330 8.330 7.845 0.485 25763 4458 1 14 . 1 1 73 73 ALA N N 73 123.900 123.900 120.668 3.232 25763 4459 1 14 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.493 -0.083 25763 4460 1 14 . 1 1 73 73 ALA C C 73 177.900 177.900 177.658 0.242 25763 4461 1 14 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.502 0.998 25763 4462 1 14 . 1 1 73 73 ALA CB C 73 18.800 18.800 17.968 0.832 25763 4463 1 14 . 1 1 73 73 ALA H H 73 8.250 8.250 7.569 0.681 25763 4464 1 14 . 1 1 74 74 THR N N 74 112.000 112.000 115.404 -3.404 25763 4465 1 14 . 1 1 74 74 THR HA H 74 4.400 4.400 4.119 0.281 25763 4466 1 14 . 1 1 74 74 THR C C 74 175.200 175.200 176.126 -0.926 25763 4467 1 14 . 1 1 74 74 THR CA C 74 61.700 61.700 64.312 -2.612 25763 4468 1 14 . 1 1 74 74 THR CB C 74 69.700 69.700 68.948 0.752 25763 4469 1 14 . 1 1 74 74 THR H H 74 8.160 8.160 7.741 0.419 25763 4470 1 14 . 1 1 75 75 GLY N N 75 110.600 110.600 110.111 0.489 25763 4471 1 14 . 1 1 75 75 GLY C C 75 174.100 174.100 174.355 -0.255 25763 4472 1 14 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.493 0.907 25763 4473 1 14 . 1 1 75 75 GLY H H 75 8.540 8.540 8.265 0.275 25763 4474 1 14 . 1 1 76 76 ARG N N 76 120.100 120.100 123.410 -3.310 25763 4475 1 14 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.250 0.120 25763 4476 1 14 . 1 1 76 76 ARG C C 76 176.600 176.600 176.370 0.230 25763 4477 1 14 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.537 0.463 25763 4478 1 14 . 1 1 76 76 ARG CB C 76 30.400 30.400 30.636 -0.236 25763 4479 1 14 . 1 1 76 76 ARG H H 76 8.340 8.340 7.745 0.595 25763 4480 1 14 . 1 1 77 77 GLY N N 77 109.400 109.400 107.786 1.614 25763 4481 1 14 . 1 1 77 77 GLY C C 77 173.800 173.800 173.353 0.447 25763 4482 1 14 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.318 0.582 25763 4483 1 14 . 1 1 77 77 GLY H H 77 8.560 8.560 7.793 0.767 25763 4484 1 14 . 1 1 78 78 PHE N N 78 119.200 119.200 119.031 0.169 25763 4485 1 14 . 1 1 78 78 PHE C C 78 175.500 175.500 175.767 -0.267 25763 4486 1 14 . 1 1 78 78 PHE CA C 78 57.800 57.800 56.806 0.994 25763 4487 1 14 . 1 1 78 78 PHE CB C 78 39.300 39.300 39.821 -0.521 25763 4488 1 14 . 1 1 78 78 PHE H H 78 8.270 8.270 7.871 0.399 25763 4489 1 14 . 1 1 79 79 ASP N N 79 121.400 121.400 121.394 0.006 25763 4490 1 14 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.439 0.191 25763 4491 1 14 . 1 1 79 79 ASP C C 79 175.000 175.000 176.674 -1.674 25763 4492 1 14 . 1 1 79 79 ASP CA C 79 54.300 54.300 55.415 -1.115 25763 4493 1 14 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.150 -0.450 25763 4494 1 14 . 1 1 79 79 ASP H H 79 8.540 8.540 8.808 -0.268 25763 4495 1 15 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.895 -9.395 25763 4496 1 15 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.749 -0.549 25763 4497 1 15 . 1 1 3 3 GLY N N 3 109.800 109.800 108.058 1.742 25763 4498 1 15 . 1 1 3 3 GLY C C 3 174.100 174.100 173.793 0.307 25763 4499 1 15 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.225 0.875 25763 4500 1 15 . 1 1 3 3 GLY H H 3 8.800 8.800 7.811 0.989 25763 4501 1 15 . 1 1 4 4 SER N N 4 115.200 115.200 119.622 -4.422 25763 4502 1 15 . 1 1 4 4 SER HA H 4 4.510 4.510 4.782 -0.272 25763 4503 1 15 . 1 1 4 4 SER C C 4 174.400 174.400 175.669 -1.269 25763 4504 1 15 . 1 1 4 4 SER CA C 4 58.200 58.200 56.626 1.574 25763 4505 1 15 . 1 1 4 4 SER CB C 4 63.500 63.500 64.261 -0.761 25763 4506 1 15 . 1 1 4 4 SER H H 4 8.280 8.280 8.366 -0.086 25763 4507 1 15 . 1 1 5 5 MET HA H 5 4.200 4.200 4.387 -0.187 25763 4508 1 15 . 1 1 5 5 MET C C 5 175.800 175.800 176.034 -0.234 25763 4509 1 15 . 1 1 5 5 MET CA C 5 61.900 61.900 57.126 4.774 25763 4510 1 15 . 1 1 5 5 MET CB C 5 32.900 32.900 32.062 0.838 25763 4511 1 15 . 1 1 6 6 SER N N 6 119.700 119.700 109.717 9.983 25763 4512 1 15 . 1 1 6 6 SER HA H 6 4.550 4.550 4.620 -0.070 25763 4513 1 15 . 1 1 6 6 SER C C 6 174.100 174.100 173.805 0.295 25763 4514 1 15 . 1 1 6 6 SER CA C 6 57.700 57.700 57.654 0.046 25763 4515 1 15 . 1 1 6 6 SER CB C 6 63.500 63.500 64.992 -1.492 25763 4516 1 15 . 1 1 6 6 SER H H 6 8.530 8.530 7.685 0.845 25763 4517 1 15 . 1 1 7 7 ILE N N 7 122.400 122.400 120.826 1.574 25763 4518 1 15 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.065 0.175 25763 4519 1 15 . 1 1 7 7 ILE CA C 7 60.500 60.500 63.178 -2.679 25763 4520 1 15 . 1 1 7 7 ILE CB C 7 38.800 38.800 37.502 1.298 25763 4521 1 15 . 1 1 7 7 ILE H H 7 8.360 8.360 8.646 -0.286 25763 4522 1 15 . 1 1 8 8 ASN N N 8 123.600 123.600 116.044 7.556 25763 4523 1 15 . 1 1 8 8 ASN CA C 8 51.000 51.000 50.936 0.064 25763 4524 1 15 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.129 0.671 25763 4525 1 15 . 1 1 8 8 ASN H H 8 8.700 8.700 7.713 0.987 25763 4526 1 15 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.617 0.003 25763 4527 1 15 . 1 1 13 13 ASP C C 13 176.800 176.800 176.176 0.624 25763 4528 1 15 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.245 -0.545 25763 4529 1 15 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.367 0.533 25763 4530 1 15 . 1 1 14 14 ASN N N 14 117.700 117.700 117.027 0.673 25763 4531 1 15 . 1 1 14 14 ASN C C 14 175.600 175.600 175.698 -0.098 25763 4532 1 15 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.156 0.144 25763 4533 1 15 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.608 0.492 25763 4534 1 15 . 1 1 14 14 ASN H H 14 8.720 8.720 8.101 0.619 25763 4535 1 15 . 1 1 15 15 GLY N N 15 107.500 107.500 108.592 -1.092 25763 4536 1 15 . 1 1 15 15 GLY C C 15 172.600 172.600 174.086 -1.486 25763 4537 1 15 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.324 0.776 25763 4538 1 15 . 1 1 15 15 GLY H H 15 8.160 8.160 7.492 0.668 25763 4539 1 15 . 1 1 16 16 SER N N 16 114.000 114.000 117.128 -3.128 25763 4540 1 15 . 1 1 16 16 SER HA H 16 4.710 4.710 4.849 -0.139 25763 4541 1 15 . 1 1 16 16 SER C C 16 174.100 174.100 173.089 1.011 25763 4542 1 15 . 1 1 16 16 SER CA C 16 57.300 57.300 58.436 -1.136 25763 4543 1 15 . 1 1 16 16 SER CB C 16 64.200 64.200 61.498 2.702 25763 4544 1 15 . 1 1 16 16 SER H H 16 7.780 7.780 8.473 -0.693 25763 4545 1 15 . 1 1 17 17 PHE N N 17 123.000 123.000 120.187 2.813 25763 4546 1 15 . 1 1 17 17 PHE CA C 17 57.700 57.700 56.561 1.139 25763 4547 1 15 . 1 1 17 17 PHE CB C 17 46.000 46.000 40.551 5.449 25763 4548 1 15 . 1 1 17 17 PHE H H 17 9.570 9.570 8.343 1.227 25763 4549 1 15 . 1 1 18 18 PHE N N 18 114.900 114.900 121.742 -6.842 25763 4550 1 15 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.869 0.891 25763 4551 1 15 . 1 1 18 18 PHE C C 18 177.000 177.000 172.300 4.700 25763 4552 1 15 . 1 1 18 18 PHE CA C 18 55.400 55.400 56.379 -0.979 25763 4553 1 15 . 1 1 18 18 PHE CB C 18 44.200 44.200 42.285 1.915 25763 4554 1 15 . 1 1 18 18 PHE H H 18 9.680 9.680 7.829 1.851 25763 4555 1 15 . 1 1 19 19 VAL N N 19 117.000 117.000 119.203 -2.203 25763 4556 1 15 . 1 1 19 19 VAL C C 19 175.000 175.000 173.261 1.739 25763 4557 1 15 . 1 1 19 19 VAL CA C 19 62.400 62.400 60.887 1.513 25763 4558 1 15 . 1 1 19 19 VAL CB C 19 33.000 33.000 33.962 -0.962 25763 4559 1 15 . 1 1 19 19 VAL H H 19 8.720 8.720 8.660 0.060 25763 4560 1 15 . 1 1 20 20 LEU N N 20 126.400 126.400 124.481 1.919 25763 4561 1 15 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.678 1.192 25763 4562 1 15 . 1 1 20 20 LEU C C 20 176.800 176.800 174.330 2.470 25763 4563 1 15 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.427 -1.427 25763 4564 1 15 . 1 1 20 20 LEU H H 20 9.490 9.490 8.649 0.841 25763 4565 1 15 . 1 1 21 21 VAL N N 21 114.200 114.200 121.983 -7.783 25763 4566 1 15 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.102 0.638 25763 4567 1 15 . 1 1 21 21 VAL C C 21 174.600 174.600 173.730 0.870 25763 4568 1 15 . 1 1 21 21 VAL CA C 21 59.100 59.100 59.185 -0.085 25763 4569 1 15 . 1 1 21 21 VAL H H 21 9.210 9.210 8.998 0.212 25763 4570 1 15 . 1 1 22 22 ASN N N 22 121.000 121.000 126.978 -5.978 25763 4571 1 15 . 1 1 22 22 ASN C C 22 177.500 177.500 175.963 1.537 25763 4572 1 15 . 1 1 22 22 ASN CA C 22 49.600 49.600 53.005 -3.405 25763 4573 1 15 . 1 1 22 22 ASN H H 22 7.390 7.390 8.701 -1.311 25763 4574 1 15 . 1 1 23 23 ASP N N 23 117.600 117.600 123.418 -5.818 25763 4575 1 15 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.414 0.086 25763 4576 1 15 . 1 1 23 23 ASP C C 23 176.500 176.500 176.524 -0.024 25763 4577 1 15 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.882 -0.782 25763 4578 1 15 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.972 -1.272 25763 4579 1 15 . 1 1 23 23 ASP H H 23 8.380 8.380 8.492 -0.112 25763 4580 1 15 . 1 1 24 24 GLU N N 24 117.900 117.900 117.419 0.481 25763 4581 1 15 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.278 0.162 25763 4582 1 15 . 1 1 24 24 GLU C C 24 175.100 175.100 175.166 -0.066 25763 4583 1 15 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.250 -0.850 25763 4584 1 15 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.070 0.030 25763 4585 1 15 . 1 1 24 24 GLU H H 24 7.300 7.300 8.245 -0.945 25763 4586 1 15 . 1 1 25 25 GLU N N 25 113.000 113.000 116.109 -3.109 25763 4587 1 15 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.990 -0.160 25763 4588 1 15 . 1 1 25 25 GLU C C 25 175.900 175.900 174.892 1.008 25763 4589 1 15 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.346 0.354 25763 4590 1 15 . 1 1 25 25 GLU CB C 25 26.500 26.500 26.826 -0.326 25763 4591 1 15 . 1 1 25 25 GLU H H 25 8.120 8.120 8.103 0.017 25763 4592 1 15 . 1 1 26 26 GLN N N 26 117.100 117.100 118.339 -1.239 25763 4593 1 15 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.569 -0.200 25763 4594 1 15 . 1 1 26 26 GLN CA C 26 54.600 54.600 54.257 0.343 25763 4595 1 15 . 1 1 26 26 GLN CB C 26 29.400 29.400 31.189 -1.789 25763 4596 1 15 . 1 1 26 26 GLN H H 26 7.770 7.770 7.466 0.304 25763 4597 1 15 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.205 0.915 25763 4598 1 15 . 1 1 27 27 HIS C C 27 174.100 174.100 174.685 -0.585 25763 4599 1 15 . 1 1 27 27 HIS CA C 27 53.900 53.900 55.589 -1.689 25763 4600 1 15 . 1 1 28 28 SER N N 28 111.900 111.900 117.260 -5.360 25763 4601 1 15 . 1 1 28 28 SER C C 28 173.200 173.200 172.367 0.833 25763 4602 1 15 . 1 1 28 28 SER CA C 28 57.700 57.700 57.221 0.479 25763 4603 1 15 . 1 1 28 28 SER H H 28 8.830 8.830 9.142 -0.312 25763 4604 1 15 . 1 1 29 29 LEU N N 29 126.000 126.000 118.313 7.687 25763 4605 1 15 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.864 0.446 25763 4606 1 15 . 1 1 29 29 LEU CA C 29 55.200 55.200 54.254 0.946 25763 4607 1 15 . 1 1 29 29 LEU H H 29 8.840 8.840 8.275 0.565 25763 4608 1 15 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.407 0.663 25763 4609 1 15 . 1 1 31 31 PRO C C 31 176.300 176.300 176.474 -0.174 25763 4610 1 15 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.417 -0.417 25763 4611 1 15 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.183 0.817 25763 4612 1 15 . 1 1 32 32 ALA N N 32 121.500 121.500 126.013 -4.513 25763 4613 1 15 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.810 0.050 25763 4614 1 15 . 1 1 32 32 ALA C C 32 177.600 177.600 177.168 0.432 25763 4615 1 15 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.044 0.456 25763 4616 1 15 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.992 -0.392 25763 4617 1 15 . 1 1 32 32 ALA H H 32 7.940 7.940 7.941 -0.001 25763 4618 1 15 . 1 1 33 33 PHE N N 33 111.800 111.800 116.322 -4.522 25763 4619 1 15 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.434 0.106 25763 4620 1 15 . 1 1 33 33 PHE C C 33 174.700 174.700 175.249 -0.549 25763 4621 1 15 . 1 1 33 33 PHE CA C 33 56.400 56.400 58.059 -1.659 25763 4622 1 15 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.151 -1.651 25763 4623 1 15 . 1 1 33 33 PHE H H 33 6.970 6.970 7.723 -0.753 25763 4624 1 15 . 1 1 34 34 ALA N N 34 125.700 125.700 121.803 3.897 25763 4625 1 15 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.578 0.052 25763 4626 1 15 . 1 1 34 34 ALA C C 34 177.700 177.700 175.720 1.980 25763 4627 1 15 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.242 -0.942 25763 4628 1 15 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.069 -0.869 25763 4629 1 15 . 1 1 34 34 ALA H H 34 7.080 7.080 7.593 -0.513 25763 4630 1 15 . 1 1 35 35 ASP N N 35 124.700 124.700 120.312 4.388 25763 4631 1 15 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.620 -0.120 25763 4632 1 15 . 1 1 35 35 ASP C C 35 176.400 176.400 175.689 0.711 25763 4633 1 15 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.728 0.272 25763 4634 1 15 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.516 -1.416 25763 4635 1 15 . 1 1 35 35 ASP H H 35 8.960 8.960 8.413 0.547 25763 4636 1 15 . 1 1 36 36 VAL N N 36 125.800 125.800 125.505 0.295 25763 4637 1 15 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.103 2.197 25763 4638 1 15 . 1 1 36 36 VAL CB C 36 32.100 32.100 32.158 -0.058 25763 4639 1 15 . 1 1 36 36 VAL H H 36 8.700 8.700 8.316 0.385 25763 4640 1 15 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.476 -0.206 25763 4641 1 15 . 1 1 37 37 PRO C C 37 175.600 175.600 176.865 -1.265 25763 4642 1 15 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.915 -0.815 25763 4643 1 15 . 1 1 37 37 PRO CB C 37 31.400 31.400 31.206 0.194 25763 4644 1 15 . 1 1 38 38 ALA N N 38 122.800 122.800 126.926 -4.126 25763 4645 1 15 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.606 0.624 25763 4646 1 15 . 1 1 38 38 ALA C C 38 179.100 179.100 178.378 0.722 25763 4647 1 15 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.955 0.245 25763 4648 1 15 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.263 -1.163 25763 4649 1 15 . 1 1 38 38 ALA H H 38 8.380 8.380 8.216 0.164 25763 4650 1 15 . 1 1 39 39 GLY N N 39 110.000 110.000 106.906 3.094 25763 4651 1 15 . 1 1 39 39 GLY C C 39 173.800 173.800 172.741 1.059 25763 4652 1 15 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.589 0.011 25763 4653 1 15 . 1 1 39 39 GLY H H 39 8.880 8.880 8.317 0.563 25763 4654 1 15 . 1 1 40 40 TRP N N 40 120.300 120.300 117.964 2.336 25763 4655 1 15 . 1 1 40 40 TRP C C 40 174.800 174.800 174.381 0.419 25763 4656 1 15 . 1 1 40 40 TRP CA C 40 56.100 56.100 54.119 1.981 25763 4657 1 15 . 1 1 40 40 TRP CB C 40 31.600 31.600 30.962 0.638 25763 4658 1 15 . 1 1 40 40 TRP H H 40 7.810 7.810 6.454 1.356 25763 4659 1 15 . 1 1 41 41 ARG N N 41 117.800 117.800 119.462 -1.662 25763 4660 1 15 . 1 1 41 41 ARG C C 41 174.700 174.700 174.180 0.520 25763 4661 1 15 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.475 -0.475 25763 4662 1 15 . 1 1 41 41 ARG CB C 41 32.900 32.900 33.967 -1.067 25763 4663 1 15 . 1 1 41 41 ARG H H 41 9.260 9.260 9.076 0.184 25763 4664 1 15 . 1 1 42 42 VAL N N 42 122.400 122.400 124.371 -1.971 25763 4665 1 15 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.135 -0.045 25763 4666 1 15 . 1 1 42 42 VAL C C 42 177.900 177.900 174.870 3.030 25763 4667 1 15 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.319 0.980 25763 4668 1 15 . 1 1 42 42 VAL CB C 42 32.200 32.200 34.133 -1.933 25763 4669 1 15 . 1 1 42 42 VAL H H 42 8.790 8.790 8.541 0.249 25763 4670 1 15 . 1 1 43 43 VAL N N 43 119.100 119.100 121.849 -2.749 25763 4671 1 15 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.283 0.507 25763 4672 1 15 . 1 1 43 43 VAL C C 43 174.700 174.700 175.104 -0.404 25763 4673 1 15 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.961 -2.361 25763 4674 1 15 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.661 1.039 25763 4675 1 15 . 1 1 43 43 VAL H H 43 9.140 9.140 8.481 0.659 25763 4676 1 15 . 1 1 44 44 HIS N N 44 119.200 119.200 116.971 2.229 25763 4677 1 15 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.813 -0.263 25763 4678 1 15 . 1 1 44 44 HIS C C 44 173.400 173.400 174.322 -0.922 25763 4679 1 15 . 1 1 44 44 HIS CA C 44 57.400 57.400 54.720 2.680 25763 4680 1 15 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.285 -0.585 25763 4681 1 15 . 1 1 44 44 HIS H H 44 7.720 7.720 7.804 -0.084 25763 4682 1 15 . 1 1 45 45 GLY N N 45 111.800 111.800 110.835 0.965 25763 4683 1 15 . 1 1 45 45 GLY C C 45 174.600 174.600 174.011 0.589 25763 4684 1 15 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.750 -2.650 25763 4685 1 15 . 1 1 45 45 GLY H H 45 7.680 7.680 8.158 -0.478 25763 4686 1 15 . 1 1 46 46 GLU N N 46 121.400 121.400 117.495 3.905 25763 4687 1 15 . 1 1 46 46 GLU HA H 46 4.190 4.190 4.172 0.018 25763 4688 1 15 . 1 1 46 46 GLU C C 46 175.200 175.200 175.710 -0.510 25763 4689 1 15 . 1 1 46 46 GLU CA C 46 57.000 57.000 56.093 0.907 25763 4690 1 15 . 1 1 46 46 GLU CB C 46 30.400 30.400 30.181 0.218 25763 4691 1 15 . 1 1 46 46 GLU H H 46 8.680 8.680 8.500 0.180 25763 4692 1 15 . 1 1 47 47 ALA N N 47 126.700 126.700 123.815 2.885 25763 4693 1 15 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.390 0.410 25763 4694 1 15 . 1 1 47 47 ALA C C 47 174.900 174.900 175.924 -1.024 25763 4695 1 15 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.171 -0.171 25763 4696 1 15 . 1 1 47 47 ALA CB C 47 22.000 22.000 20.207 1.793 25763 4697 1 15 . 1 1 47 47 ALA H H 47 9.430 9.430 7.629 1.801 25763 4698 1 15 . 1 1 48 48 ASP N N 48 117.400 117.400 119.905 -2.505 25763 4699 1 15 . 1 1 48 48 ASP C C 48 175.800 175.800 177.434 -1.634 25763 4700 1 15 . 1 1 48 48 ASP CA C 48 53.800 53.800 54.203 -0.403 25763 4701 1 15 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.509 -0.609 25763 4702 1 15 . 1 1 48 48 ASP H H 48 8.560 8.560 8.282 0.278 25763 4703 1 15 . 1 1 49 49 ARG N N 49 121.500 121.500 121.859 -0.359 25763 4704 1 15 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.856 -0.496 25763 4705 1 15 . 1 1 49 49 ARG C C 49 179.000 179.000 178.073 0.927 25763 4706 1 15 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.269 1.631 25763 4707 1 15 . 1 1 49 49 ARG H H 49 9.310 9.310 8.698 0.612 25763 4708 1 15 . 1 1 50 50 ALA N N 50 119.000 119.000 120.361 -1.361 25763 4709 1 15 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.116 -0.046 25763 4710 1 15 . 1 1 50 50 ALA C C 50 180.500 180.500 179.016 1.484 25763 4711 1 15 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.964 0.236 25763 4712 1 15 . 1 1 50 50 ALA CB C 50 17.700 17.700 18.064 -0.364 25763 4713 1 15 . 1 1 50 50 ALA H H 50 8.620 8.620 8.524 0.096 25763 4714 1 15 . 1 1 51 51 ALA N N 51 121.700 121.700 121.186 0.514 25763 4715 1 15 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.132 0.198 25763 4716 1 15 . 1 1 51 51 ALA C C 51 182.300 182.300 179.670 2.630 25763 4717 1 15 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.899 -0.299 25763 4718 1 15 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.307 0.493 25763 4719 1 15 . 1 1 51 51 ALA H H 51 8.340 8.340 7.899 0.441 25763 4720 1 15 . 1 1 52 52 CYS N N 52 117.900 117.900 117.152 0.748 25763 4721 1 15 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.433 -0.293 25763 4722 1 15 . 1 1 52 52 CYS C C 52 176.800 176.800 176.817 -0.017 25763 4723 1 15 . 1 1 52 52 CYS CA C 52 64.500 64.500 62.400 2.100 25763 4724 1 15 . 1 1 52 52 CYS CB C 52 27.100 27.100 27.509 -0.409 25763 4725 1 15 . 1 1 52 52 CYS H H 52 8.300 8.300 8.103 0.197 25763 4726 1 15 . 1 1 53 53 LEU N N 53 120.600 120.600 121.471 -0.871 25763 4727 1 15 . 1 1 53 53 LEU HA H 53 4.170 4.170 4.004 0.166 25763 4728 1 15 . 1 1 53 53 LEU C C 53 179.900 179.900 179.791 0.109 25763 4729 1 15 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.972 0.128 25763 4730 1 15 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.514 -1.014 25763 4731 1 15 . 1 1 53 53 LEU H H 53 8.780 8.780 8.580 0.200 25763 4732 1 15 . 1 1 54 54 GLU N N 54 120.600 120.600 118.240 2.360 25763 4733 1 15 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.147 -0.027 25763 4734 1 15 . 1 1 54 54 GLU C C 54 178.300 178.300 178.832 -0.532 25763 4735 1 15 . 1 1 54 54 GLU CA C 54 59.300 59.300 58.615 0.685 25763 4736 1 15 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.251 0.149 25763 4737 1 15 . 1 1 54 54 GLU H H 54 8.350 8.350 8.551 -0.201 25763 4738 1 15 . 1 1 55 55 TYR N N 55 120.800 120.800 122.857 -2.057 25763 4739 1 15 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.443 -0.293 25763 4740 1 15 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.016 0.684 25763 4741 1 15 . 1 1 55 55 TYR CB C 55 37.600 37.600 37.934 -0.334 25763 4742 1 15 . 1 1 55 55 TYR H H 55 7.890 7.890 8.060 -0.170 25763 4743 1 15 . 1 1 56 56 ILE C C 56 176.700 176.700 177.385 -0.685 25763 4744 1 15 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.680 0.520 25763 4745 1 15 . 1 1 57 57 GLU N N 57 119.400 119.400 119.587 -0.187 25763 4746 1 15 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.065 -0.035 25763 4747 1 15 . 1 1 57 57 GLU C C 57 177.700 177.700 178.151 -0.451 25763 4748 1 15 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.733 -0.233 25763 4749 1 15 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.751 -0.851 25763 4750 1 15 . 1 1 57 57 GLU H H 57 8.290 8.290 7.595 0.695 25763 4751 1 15 . 1 1 58 58 GLU N N 58 115.000 115.000 117.544 -2.544 25763 4752 1 15 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.100 -0.220 25763 4753 1 15 . 1 1 58 58 GLU C C 58 177.600 177.600 176.069 1.531 25763 4754 1 15 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.265 0.435 25763 4755 1 15 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.336 -0.936 25763 4756 1 15 . 1 1 58 58 GLU H H 58 7.780 7.780 7.995 -0.215 25763 4757 1 15 . 1 1 59 59 HIS N N 59 113.700 113.700 118.252 -4.552 25763 4758 1 15 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.700 1.700 25763 4759 1 15 . 1 1 59 59 HIS CB C 59 28.000 28.000 27.871 0.129 25763 4760 1 15 . 1 1 59 59 HIS H H 59 7.420 7.420 7.919 -0.499 25763 4761 1 15 . 1 1 63 63 ILE CB C 63 38.600 38.600 36.741 1.859 25763 4762 1 15 . 1 1 68 68 LEU CA C 68 55.700 55.700 54.778 0.923 25763 4763 1 15 . 1 1 68 68 LEU CB C 68 42.100 42.100 43.218 -1.118 25763 4764 1 15 . 1 1 69 69 ARG N N 69 121.100 121.100 125.439 -4.339 25763 4765 1 15 . 1 1 69 69 ARG H H 69 8.550 8.550 8.496 0.054 25763 4766 1 15 . 1 1 70 70 ASP C C 70 176.000 176.000 176.009 -0.009 25763 4767 1 15 . 1 1 70 70 ASP CA C 70 55.600 55.600 55.378 0.222 25763 4768 1 15 . 1 1 70 70 ASP CB C 70 41.000 41.000 39.842 1.158 25763 4769 1 15 . 1 1 71 71 LYS N N 71 121.200 121.200 125.692 -4.492 25763 4770 1 15 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.234 -0.014 25763 4771 1 15 . 1 1 71 71 LYS C C 71 177.500 177.500 176.026 1.474 25763 4772 1 15 . 1 1 71 71 LYS CA C 71 57.100 57.100 56.949 0.151 25763 4773 1 15 . 1 1 71 71 LYS CB C 71 32.600 32.600 31.608 0.992 25763 4774 1 15 . 1 1 71 71 LYS H H 71 8.260 8.260 8.301 -0.041 25763 4775 1 15 . 1 1 72 72 LEU N N 72 121.600 121.600 124.077 -2.477 25763 4776 1 15 . 1 1 72 72 LEU CA C 72 55.300 55.300 54.157 1.143 25763 4777 1 15 . 1 1 72 72 LEU CB C 72 42.100 42.100 43.103 -1.003 25763 4778 1 15 . 1 1 72 72 LEU H H 72 8.330 8.330 8.060 0.270 25763 4779 1 15 . 1 1 73 73 ALA N N 73 123.900 123.900 122.979 0.921 25763 4780 1 15 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.255 0.155 25763 4781 1 15 . 1 1 73 73 ALA C C 73 177.900 177.900 177.933 -0.033 25763 4782 1 15 . 1 1 73 73 ALA CA C 73 52.500 52.500 52.395 0.105 25763 4783 1 15 . 1 1 73 73 ALA CB C 73 18.800 18.800 19.304 -0.504 25763 4784 1 15 . 1 1 73 73 ALA H H 73 8.250 8.250 7.957 0.293 25763 4785 1 15 . 1 1 74 74 THR N N 74 112.000 112.000 119.861 -7.861 25763 4786 1 15 . 1 1 74 74 THR HA H 74 4.400 4.400 4.126 0.274 25763 4787 1 15 . 1 1 74 74 THR C C 74 175.200 175.200 174.345 0.855 25763 4788 1 15 . 1 1 74 74 THR CA C 74 61.700 61.700 63.182 -1.482 25763 4789 1 15 . 1 1 74 74 THR CB C 74 69.700 69.700 68.143 1.557 25763 4790 1 15 . 1 1 74 74 THR H H 74 8.160 8.160 8.398 -0.238 25763 4791 1 15 . 1 1 75 75 GLY N N 75 110.600 110.600 113.106 -2.506 25763 4792 1 15 . 1 1 75 75 GLY C C 75 174.100 174.100 173.208 0.892 25763 4793 1 15 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.948 0.452 25763 4794 1 15 . 1 1 75 75 GLY H H 75 8.540 8.540 8.273 0.267 25763 4795 1 15 . 1 1 76 76 ARG N N 76 120.100 120.100 122.605 -2.505 25763 4796 1 15 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.776 -0.406 25763 4797 1 15 . 1 1 76 76 ARG C C 76 176.600 176.600 175.861 0.739 25763 4798 1 15 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.449 0.551 25763 4799 1 15 . 1 1 76 76 ARG CB C 76 30.400 30.400 31.169 -0.769 25763 4800 1 15 . 1 1 76 76 ARG H H 76 8.340 8.340 8.249 0.091 25763 4801 1 15 . 1 1 77 77 GLY N N 77 109.400 109.400 109.637 -0.237 25763 4802 1 15 . 1 1 77 77 GLY C C 77 173.800 173.800 173.066 0.734 25763 4803 1 15 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.768 0.132 25763 4804 1 15 . 1 1 77 77 GLY H H 77 8.560 8.560 8.336 0.224 25763 4805 1 15 . 1 1 78 78 PHE N N 78 119.200 119.200 116.002 3.198 25763 4806 1 15 . 1 1 78 78 PHE C C 78 175.500 175.500 174.492 1.008 25763 4807 1 15 . 1 1 78 78 PHE CA C 78 57.800 57.800 57.460 0.340 25763 4808 1 15 . 1 1 78 78 PHE CB C 78 39.300 39.300 40.802 -1.502 25763 4809 1 15 . 1 1 78 78 PHE H H 78 8.270 8.270 7.778 0.492 25763 4810 1 15 . 1 1 79 79 ASP N N 79 121.400 121.400 121.770 -0.370 25763 4811 1 15 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.662 -0.032 25763 4812 1 15 . 1 1 79 79 ASP C C 79 175.000 175.000 175.075 -0.075 25763 4813 1 15 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.313 -0.013 25763 4814 1 15 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.618 -0.918 25763 4815 1 15 . 1 1 79 79 ASP H H 79 8.540 8.540 8.548 -0.008 25763 4816 1 16 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.662 -9.162 25763 4817 1 16 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.483 -0.284 25763 4818 1 16 . 1 1 3 3 GLY N N 3 109.800 109.800 108.998 0.802 25763 4819 1 16 . 1 1 3 3 GLY C C 3 174.100 174.100 174.259 -0.159 25763 4820 1 16 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.342 0.758 25763 4821 1 16 . 1 1 3 3 GLY H H 3 8.800 8.800 8.249 0.551 25763 4822 1 16 . 1 1 4 4 SER N N 4 115.200 115.200 119.001 -3.801 25763 4823 1 16 . 1 1 4 4 SER HA H 4 4.510 4.510 4.508 0.002 25763 4824 1 16 . 1 1 4 4 SER C C 4 174.400 174.400 174.925 -0.525 25763 4825 1 16 . 1 1 4 4 SER CA C 4 58.200 58.200 58.551 -0.351 25763 4826 1 16 . 1 1 4 4 SER CB C 4 63.500 63.500 63.003 0.497 25763 4827 1 16 . 1 1 4 4 SER H H 4 8.280 8.280 8.620 -0.340 25763 4828 1 16 . 1 1 5 5 MET HA H 5 4.200 4.200 4.527 -0.327 25763 4829 1 16 . 1 1 5 5 MET C C 5 175.800 175.800 176.266 -0.466 25763 4830 1 16 . 1 1 5 5 MET CA C 5 61.900 61.900 55.239 6.661 25763 4831 1 16 . 1 1 5 5 MET CB C 5 32.900 32.900 32.989 -0.088 25763 4832 1 16 . 1 1 6 6 SER N N 6 119.700 119.700 116.052 3.648 25763 4833 1 16 . 1 1 6 6 SER HA H 6 4.550 4.550 4.434 0.116 25763 4834 1 16 . 1 1 6 6 SER C C 6 174.100 174.100 175.170 -1.070 25763 4835 1 16 . 1 1 6 6 SER CA C 6 57.700 57.700 57.805 -0.105 25763 4836 1 16 . 1 1 6 6 SER CB C 6 63.500 63.500 64.313 -0.813 25763 4837 1 16 . 1 1 6 6 SER H H 6 8.530 8.530 7.847 0.683 25763 4838 1 16 . 1 1 7 7 ILE N N 7 122.400 122.400 125.634 -3.234 25763 4839 1 16 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.084 0.156 25763 4840 1 16 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.166 0.334 25763 4841 1 16 . 1 1 7 7 ILE CB C 7 38.800 38.800 35.149 3.651 25763 4842 1 16 . 1 1 7 7 ILE H H 7 8.360 8.360 8.439 -0.079 25763 4843 1 16 . 1 1 8 8 ASN N N 8 123.600 123.600 122.695 0.905 25763 4844 1 16 . 1 1 8 8 ASN CA C 8 51.000 51.000 52.996 -1.996 25763 4845 1 16 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.529 -0.729 25763 4846 1 16 . 1 1 8 8 ASN H H 8 8.700 8.700 8.156 0.544 25763 4847 1 16 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.309 0.311 25763 4848 1 16 . 1 1 13 13 ASP C C 13 176.800 176.800 176.436 0.364 25763 4849 1 16 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.354 -0.654 25763 4850 1 16 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.245 0.655 25763 4851 1 16 . 1 1 14 14 ASN N N 14 117.700 117.700 117.611 0.089 25763 4852 1 16 . 1 1 14 14 ASN C C 14 175.600 175.600 176.252 -0.652 25763 4853 1 16 . 1 1 14 14 ASN CA C 14 53.300 53.300 54.505 -1.205 25763 4854 1 16 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.668 0.432 25763 4855 1 16 . 1 1 14 14 ASN H H 14 8.720 8.720 8.340 0.380 25763 4856 1 16 . 1 1 15 15 GLY N N 15 107.500 107.500 109.296 -1.796 25763 4857 1 16 . 1 1 15 15 GLY C C 15 172.600 172.600 173.147 -0.547 25763 4858 1 16 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.703 0.397 25763 4859 1 16 . 1 1 15 15 GLY H H 15 8.160 8.160 7.780 0.380 25763 4860 1 16 . 1 1 16 16 SER N N 16 114.000 114.000 117.260 -3.260 25763 4861 1 16 . 1 1 16 16 SER HA H 16 4.710 4.710 4.782 -0.072 25763 4862 1 16 . 1 1 16 16 SER C C 16 174.100 174.100 173.584 0.516 25763 4863 1 16 . 1 1 16 16 SER CA C 16 57.300 57.300 57.518 -0.218 25763 4864 1 16 . 1 1 16 16 SER CB C 16 64.200 64.200 65.313 -1.113 25763 4865 1 16 . 1 1 16 16 SER H H 16 7.780 7.780 7.628 0.152 25763 4866 1 16 . 1 1 17 17 PHE N N 17 123.000 123.000 123.418 -0.418 25763 4867 1 16 . 1 1 17 17 PHE CA C 17 57.700 57.700 57.045 0.655 25763 4868 1 16 . 1 1 17 17 PHE CB C 17 46.000 46.000 39.536 6.464 25763 4869 1 16 . 1 1 17 17 PHE H H 17 9.570 9.570 8.623 0.947 25763 4870 1 16 . 1 1 18 18 PHE N N 18 114.900 114.900 114.561 0.339 25763 4871 1 16 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.903 0.857 25763 4872 1 16 . 1 1 18 18 PHE C C 18 177.000 177.000 173.797 3.203 25763 4873 1 16 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.757 -0.357 25763 4874 1 16 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.755 2.445 25763 4875 1 16 . 1 1 18 18 PHE H H 18 9.680 9.680 7.710 1.970 25763 4876 1 16 . 1 1 19 19 VAL N N 19 117.000 117.000 116.965 0.035 25763 4877 1 16 . 1 1 19 19 VAL C C 19 175.000 175.000 173.604 1.396 25763 4878 1 16 . 1 1 19 19 VAL CA C 19 62.400 62.400 60.327 2.073 25763 4879 1 16 . 1 1 19 19 VAL CB C 19 33.000 33.000 34.685 -1.685 25763 4880 1 16 . 1 1 19 19 VAL H H 19 8.720 8.720 8.738 -0.018 25763 4881 1 16 . 1 1 20 20 LEU N N 20 126.400 126.400 124.703 1.697 25763 4882 1 16 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.922 0.948 25763 4883 1 16 . 1 1 20 20 LEU C C 20 176.800 176.800 174.459 2.341 25763 4884 1 16 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.550 -1.550 25763 4885 1 16 . 1 1 20 20 LEU H H 20 9.490 9.490 8.985 0.505 25763 4886 1 16 . 1 1 21 21 VAL N N 21 114.200 114.200 123.512 -9.312 25763 4887 1 16 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.162 0.578 25763 4888 1 16 . 1 1 21 21 VAL C C 21 174.600 174.600 173.394 1.206 25763 4889 1 16 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.122 -1.022 25763 4890 1 16 . 1 1 21 21 VAL H H 21 9.210 9.210 9.204 0.006 25763 4891 1 16 . 1 1 22 22 ASN N N 22 121.000 121.000 124.699 -3.699 25763 4892 1 16 . 1 1 22 22 ASN C C 22 177.500 177.500 176.156 1.344 25763 4893 1 16 . 1 1 22 22 ASN CA C 22 49.600 49.600 50.928 -1.328 25763 4894 1 16 . 1 1 22 22 ASN H H 22 7.390 7.390 8.922 -1.532 25763 4895 1 16 . 1 1 23 23 ASP N N 23 117.600 117.600 122.171 -4.571 25763 4896 1 16 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.361 0.139 25763 4897 1 16 . 1 1 23 23 ASP C C 23 176.500 176.500 176.367 0.133 25763 4898 1 16 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.948 -0.848 25763 4899 1 16 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.184 -0.484 25763 4900 1 16 . 1 1 23 23 ASP H H 23 8.380 8.380 8.866 -0.486 25763 4901 1 16 . 1 1 24 24 GLU N N 24 117.900 117.900 119.117 -1.217 25763 4902 1 16 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.221 0.219 25763 4903 1 16 . 1 1 24 24 GLU C C 24 175.100 175.100 175.608 -0.508 25763 4904 1 16 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.285 -0.885 25763 4905 1 16 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.651 0.450 25763 4906 1 16 . 1 1 24 24 GLU H H 24 7.300 7.300 7.964 -0.664 25763 4907 1 16 . 1 1 25 25 GLU N N 25 113.000 113.000 114.325 -1.325 25763 4908 1 16 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.868 -0.038 25763 4909 1 16 . 1 1 25 25 GLU C C 25 175.900 175.900 175.151 0.749 25763 4910 1 16 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.431 0.269 25763 4911 1 16 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.131 -0.631 25763 4912 1 16 . 1 1 25 25 GLU H H 25 8.120 8.120 7.961 0.159 25763 4913 1 16 . 1 1 26 26 GLN N N 26 117.100 117.100 118.337 -1.237 25763 4914 1 16 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.272 0.098 25763 4915 1 16 . 1 1 26 26 GLN CA C 26 54.600 54.600 55.167 -0.568 25763 4916 1 16 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.689 -0.289 25763 4917 1 16 . 1 1 26 26 GLN H H 26 7.770 7.770 7.640 0.130 25763 4918 1 16 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.716 0.404 25763 4919 1 16 . 1 1 27 27 HIS C C 27 174.100 174.100 174.765 -0.665 25763 4920 1 16 . 1 1 27 27 HIS CA C 27 53.900 53.900 53.947 -0.047 25763 4921 1 16 . 1 1 28 28 SER N N 28 111.900 111.900 115.759 -3.859 25763 4922 1 16 . 1 1 28 28 SER C C 28 173.200 173.200 172.493 0.707 25763 4923 1 16 . 1 1 28 28 SER CA C 28 57.700 57.700 57.594 0.106 25763 4924 1 16 . 1 1 28 28 SER H H 28 8.830 8.830 9.349 -0.519 25763 4925 1 16 . 1 1 29 29 LEU N N 29 126.000 126.000 119.113 6.887 25763 4926 1 16 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.886 0.424 25763 4927 1 16 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.840 1.360 25763 4928 1 16 . 1 1 29 29 LEU H H 29 8.840 8.840 8.232 0.608 25763 4929 1 16 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.304 0.766 25763 4930 1 16 . 1 1 31 31 PRO C C 31 176.300 176.300 176.374 -0.074 25763 4931 1 16 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.819 -0.819 25763 4932 1 16 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.617 1.383 25763 4933 1 16 . 1 1 32 32 ALA N N 32 121.500 121.500 126.074 -4.574 25763 4934 1 16 . 1 1 32 32 ALA HA H 32 3.860 3.860 2.650 1.210 25763 4935 1 16 . 1 1 32 32 ALA C C 32 177.600 177.600 177.185 0.415 25763 4936 1 16 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.167 0.333 25763 4937 1 16 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.838 -0.238 25763 4938 1 16 . 1 1 32 32 ALA H H 32 7.940 7.940 7.638 0.302 25763 4939 1 16 . 1 1 33 33 PHE N N 33 111.800 111.800 116.126 -4.326 25763 4940 1 16 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.474 0.066 25763 4941 1 16 . 1 1 33 33 PHE C C 33 174.700 174.700 174.823 -0.123 25763 4942 1 16 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.615 -1.215 25763 4943 1 16 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.849 -1.349 25763 4944 1 16 . 1 1 33 33 PHE H H 33 6.970 6.970 7.696 -0.726 25763 4945 1 16 . 1 1 34 34 ALA N N 34 125.700 125.700 122.019 3.681 25763 4946 1 16 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.620 0.010 25763 4947 1 16 . 1 1 34 34 ALA C C 34 177.700 177.700 175.252 2.448 25763 4948 1 16 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.279 -0.979 25763 4949 1 16 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.524 -1.324 25763 4950 1 16 . 1 1 34 34 ALA H H 34 7.080 7.080 7.725 -0.645 25763 4951 1 16 . 1 1 35 35 ASP N N 35 124.700 124.700 119.516 5.184 25763 4952 1 16 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.762 -0.262 25763 4953 1 16 . 1 1 35 35 ASP C C 35 176.400 176.400 175.564 0.836 25763 4954 1 16 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.653 1.347 25763 4955 1 16 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.453 -1.353 25763 4956 1 16 . 1 1 35 35 ASP H H 35 8.960 8.960 8.370 0.590 25763 4957 1 16 . 1 1 36 36 VAL N N 36 125.800 125.800 122.879 2.921 25763 4958 1 16 . 1 1 36 36 VAL CA C 36 61.300 61.300 60.322 0.978 25763 4959 1 16 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.764 0.336 25763 4960 1 16 . 1 1 36 36 VAL H H 36 8.700 8.700 8.355 0.345 25763 4961 1 16 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.508 -0.238 25763 4962 1 16 . 1 1 37 37 PRO C C 37 175.600 175.600 176.636 -1.036 25763 4963 1 16 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.492 -0.392 25763 4964 1 16 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.423 -1.023 25763 4965 1 16 . 1 1 38 38 ALA N N 38 122.800 122.800 122.041 0.759 25763 4966 1 16 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.178 0.052 25763 4967 1 16 . 1 1 38 38 ALA C C 38 179.100 179.100 178.511 0.589 25763 4968 1 16 . 1 1 38 38 ALA CA C 38 53.200 53.200 53.207 -0.007 25763 4969 1 16 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.387 -1.287 25763 4970 1 16 . 1 1 38 38 ALA H H 38 8.380 8.380 8.240 0.140 25763 4971 1 16 . 1 1 39 39 GLY N N 39 110.000 110.000 109.288 0.712 25763 4972 1 16 . 1 1 39 39 GLY C C 39 173.800 173.800 174.089 -0.289 25763 4973 1 16 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.972 -0.372 25763 4974 1 16 . 1 1 39 39 GLY H H 39 8.880 8.880 8.327 0.553 25763 4975 1 16 . 1 1 40 40 TRP N N 40 120.300 120.300 121.076 -0.776 25763 4976 1 16 . 1 1 40 40 TRP C C 40 174.800 174.800 176.018 -1.218 25763 4977 1 16 . 1 1 40 40 TRP CA C 40 56.100 56.100 56.946 -0.846 25763 4978 1 16 . 1 1 40 40 TRP CB C 40 31.600 31.600 29.917 1.683 25763 4979 1 16 . 1 1 40 40 TRP H H 40 7.810 7.810 7.442 0.368 25763 4980 1 16 . 1 1 41 41 ARG N N 41 117.800 117.800 122.669 -4.869 25763 4981 1 16 . 1 1 41 41 ARG C C 41 174.700 174.700 174.493 0.207 25763 4982 1 16 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.220 -0.220 25763 4983 1 16 . 1 1 41 41 ARG CB C 41 32.900 32.900 32.954 -0.054 25763 4984 1 16 . 1 1 41 41 ARG H H 41 9.260 9.260 9.288 -0.028 25763 4985 1 16 . 1 1 42 42 VAL N N 42 122.400 122.400 126.546 -4.146 25763 4986 1 16 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.126 -0.036 25763 4987 1 16 . 1 1 42 42 VAL C C 42 177.900 177.900 175.627 2.273 25763 4988 1 16 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.966 0.334 25763 4989 1 16 . 1 1 42 42 VAL CB C 42 32.200 32.200 31.593 0.607 25763 4990 1 16 . 1 1 42 42 VAL H H 42 8.790 8.790 8.607 0.183 25763 4991 1 16 . 1 1 43 43 VAL N N 43 119.100 119.100 127.377 -8.277 25763 4992 1 16 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.068 0.722 25763 4993 1 16 . 1 1 43 43 VAL C C 43 174.700 174.700 175.364 -0.664 25763 4994 1 16 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.356 -1.756 25763 4995 1 16 . 1 1 43 43 VAL CB C 43 33.700 33.700 33.155 0.545 25763 4996 1 16 . 1 1 43 43 VAL H H 43 9.140 9.140 8.827 0.313 25763 4997 1 16 . 1 1 44 44 HIS N N 44 119.200 119.200 117.770 1.430 25763 4998 1 16 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.812 -0.262 25763 4999 1 16 . 1 1 44 44 HIS C C 44 173.400 173.400 174.254 -0.854 25763 5000 1 16 . 1 1 44 44 HIS CA C 44 57.400 57.400 54.594 2.806 25763 5001 1 16 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.209 -0.509 25763 5002 1 16 . 1 1 44 44 HIS H H 44 7.720 7.720 7.693 0.027 25763 5003 1 16 . 1 1 45 45 GLY N N 45 111.800 111.800 110.025 1.775 25763 5004 1 16 . 1 1 45 45 GLY C C 45 174.600 174.600 174.100 0.500 25763 5005 1 16 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.239 -2.139 25763 5006 1 16 . 1 1 45 45 GLY H H 45 7.680 7.680 8.495 -0.815 25763 5007 1 16 . 1 1 46 46 GLU N N 46 121.400 121.400 119.333 2.067 25763 5008 1 16 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.868 0.322 25763 5009 1 16 . 1 1 46 46 GLU C C 46 175.200 175.200 175.807 -0.607 25763 5010 1 16 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.533 -0.533 25763 5011 1 16 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.709 0.691 25763 5012 1 16 . 1 1 46 46 GLU H H 46 8.680 8.680 8.514 0.166 25763 5013 1 16 . 1 1 47 47 ALA N N 47 126.700 126.700 128.212 -1.512 25763 5014 1 16 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.573 0.227 25763 5015 1 16 . 1 1 47 47 ALA C C 47 174.900 174.900 175.534 -0.634 25763 5016 1 16 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.193 -0.193 25763 5017 1 16 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.763 0.237 25763 5018 1 16 . 1 1 47 47 ALA H H 47 9.430 9.430 8.329 1.101 25763 5019 1 16 . 1 1 48 48 ASP N N 48 117.400 117.400 119.183 -1.783 25763 5020 1 16 . 1 1 48 48 ASP C C 48 175.800 175.800 177.643 -1.843 25763 5021 1 16 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.911 -0.111 25763 5022 1 16 . 1 1 48 48 ASP CB C 48 40.900 40.900 43.002 -2.102 25763 5023 1 16 . 1 1 48 48 ASP H H 48 8.560 8.560 8.491 0.069 25763 5024 1 16 . 1 1 49 49 ARG N N 49 121.500 121.500 120.823 0.677 25763 5025 1 16 . 1 1 49 49 ARG HA H 49 3.360 3.360 4.036 -0.676 25763 5026 1 16 . 1 1 49 49 ARG C C 49 179.000 179.000 177.738 1.262 25763 5027 1 16 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.215 1.685 25763 5028 1 16 . 1 1 49 49 ARG H H 49 9.310 9.310 8.721 0.589 25763 5029 1 16 . 1 1 50 50 ALA N N 50 119.000 119.000 120.597 -1.597 25763 5030 1 16 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.061 0.009 25763 5031 1 16 . 1 1 50 50 ALA C C 50 180.500 180.500 179.263 1.237 25763 5032 1 16 . 1 1 50 50 ALA CA C 50 55.200 55.200 55.221 -0.021 25763 5033 1 16 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.874 -0.174 25763 5034 1 16 . 1 1 50 50 ALA H H 50 8.620 8.620 8.421 0.199 25763 5035 1 16 . 1 1 51 51 ALA N N 51 121.700 121.700 120.621 1.079 25763 5036 1 16 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.024 0.306 25763 5037 1 16 . 1 1 51 51 ALA C C 51 182.300 182.300 179.684 2.616 25763 5038 1 16 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.926 -0.326 25763 5039 1 16 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.147 0.653 25763 5040 1 16 . 1 1 51 51 ALA H H 51 8.340 8.340 8.033 0.307 25763 5041 1 16 . 1 1 52 52 CYS N N 52 117.900 117.900 116.503 1.397 25763 5042 1 16 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.252 -0.112 25763 5043 1 16 . 1 1 52 52 CYS C C 52 176.800 176.800 176.131 0.669 25763 5044 1 16 . 1 1 52 52 CYS CA C 52 64.500 64.500 63.463 1.037 25763 5045 1 16 . 1 1 52 52 CYS CB C 52 27.100 27.100 27.687 -0.587 25763 5046 1 16 . 1 1 52 52 CYS H H 52 8.300 8.300 8.033 0.267 25763 5047 1 16 . 1 1 53 53 LEU N N 53 120.600 120.600 120.403 0.197 25763 5048 1 16 . 1 1 53 53 LEU HA H 53 4.170 4.170 4.089 0.081 25763 5049 1 16 . 1 1 53 53 LEU C C 53 179.900 179.900 179.120 0.780 25763 5050 1 16 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.725 0.374 25763 5051 1 16 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.866 -1.366 25763 5052 1 16 . 1 1 53 53 LEU H H 53 8.780 8.780 8.106 0.674 25763 5053 1 16 . 1 1 54 54 GLU N N 54 120.600 120.600 119.415 1.185 25763 5054 1 16 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.921 0.199 25763 5055 1 16 . 1 1 54 54 GLU C C 54 178.300 178.300 178.431 -0.131 25763 5056 1 16 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.346 -0.046 25763 5057 1 16 . 1 1 54 54 GLU CB C 54 29.400 29.400 28.789 0.611 25763 5058 1 16 . 1 1 54 54 GLU H H 54 8.350 8.350 8.723 -0.373 25763 5059 1 16 . 1 1 55 55 TYR N N 55 120.800 120.800 120.641 0.159 25763 5060 1 16 . 1 1 55 55 TYR HA H 55 4.150 4.150 3.709 0.441 25763 5061 1 16 . 1 1 55 55 TYR CA C 55 61.700 61.700 60.124 1.576 25763 5062 1 16 . 1 1 55 55 TYR CB C 55 37.600 37.600 36.506 1.094 25763 5063 1 16 . 1 1 55 55 TYR H H 55 7.890 7.890 7.784 0.106 25763 5064 1 16 . 1 1 56 56 ILE C C 56 176.700 176.700 176.480 0.220 25763 5065 1 16 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.836 0.364 25763 5066 1 16 . 1 1 57 57 GLU N N 57 119.400 119.400 117.672 1.728 25763 5067 1 16 . 1 1 57 57 GLU HA H 57 4.030 4.030 3.871 0.159 25763 5068 1 16 . 1 1 57 57 GLU C C 57 177.700 177.700 178.455 -0.755 25763 5069 1 16 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.338 0.162 25763 5070 1 16 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.645 -0.745 25763 5071 1 16 . 1 1 57 57 GLU H H 57 8.290 8.290 7.629 0.661 25763 5072 1 16 . 1 1 58 58 GLU N N 58 115.000 115.000 117.271 -2.271 25763 5073 1 16 . 1 1 58 58 GLU HA H 58 3.880 3.880 3.996 -0.116 25763 5074 1 16 . 1 1 58 58 GLU C C 58 177.600 177.600 178.415 -0.815 25763 5075 1 16 . 1 1 58 58 GLU CA C 58 57.700 57.700 59.403 -1.703 25763 5076 1 16 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.018 -0.618 25763 5077 1 16 . 1 1 58 58 GLU H H 58 7.780 7.780 8.063 -0.283 25763 5078 1 16 . 1 1 59 59 HIS N N 59 113.700 113.700 114.255 -0.555 25763 5079 1 16 . 1 1 59 59 HIS CA C 59 58.400 58.400 58.697 -0.297 25763 5080 1 16 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.784 -0.784 25763 5081 1 16 . 1 1 59 59 HIS H H 59 7.420 7.420 8.019 -0.599 25763 5082 1 16 . 1 1 63 63 ILE CB C 63 38.600 38.600 36.018 2.582 25763 5083 1 16 . 1 1 68 68 LEU CA C 68 55.700 55.700 56.611 -0.911 25763 5084 1 16 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.103 -0.003 25763 5085 1 16 . 1 1 69 69 ARG N N 69 121.100 121.100 117.784 3.316 25763 5086 1 16 . 1 1 69 69 ARG H H 69 8.550 8.550 7.549 1.001 25763 5087 1 16 . 1 1 70 70 ASP C C 70 176.000 176.000 175.838 0.162 25763 5088 1 16 . 1 1 70 70 ASP CA C 70 55.600 55.600 53.914 1.686 25763 5089 1 16 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.919 -0.918 25763 5090 1 16 . 1 1 71 71 LYS N N 71 121.200 121.200 120.058 1.142 25763 5091 1 16 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.491 -0.271 25763 5092 1 16 . 1 1 71 71 LYS C C 71 177.500 177.500 176.716 0.784 25763 5093 1 16 . 1 1 71 71 LYS CA C 71 57.100 57.100 55.605 1.495 25763 5094 1 16 . 1 1 71 71 LYS CB C 71 32.600 32.600 33.134 -0.534 25763 5095 1 16 . 1 1 71 71 LYS H H 71 8.260 8.260 8.448 -0.188 25763 5096 1 16 . 1 1 72 72 LEU N N 72 121.600 121.600 120.790 0.810 25763 5097 1 16 . 1 1 72 72 LEU CA C 72 55.300 55.300 56.321 -1.021 25763 5098 1 16 . 1 1 72 72 LEU CB C 72 42.100 42.100 43.112 -1.012 25763 5099 1 16 . 1 1 72 72 LEU H H 72 8.330 8.330 7.778 0.552 25763 5100 1 16 . 1 1 73 73 ALA N N 73 123.900 123.900 121.093 2.807 25763 5101 1 16 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.231 0.179 25763 5102 1 16 . 1 1 73 73 ALA C C 73 177.900 177.900 178.169 -0.269 25763 5103 1 16 . 1 1 73 73 ALA CA C 73 52.500 52.500 52.995 -0.495 25763 5104 1 16 . 1 1 73 73 ALA CB C 73 18.800 18.800 17.444 1.356 25763 5105 1 16 . 1 1 73 73 ALA H H 73 8.250 8.250 8.209 0.041 25763 5106 1 16 . 1 1 74 74 THR N N 74 112.000 112.000 117.856 -5.856 25763 5107 1 16 . 1 1 74 74 THR HA H 74 4.400 4.400 4.281 0.119 25763 5108 1 16 . 1 1 74 74 THR C C 74 175.200 175.200 175.570 -0.370 25763 5109 1 16 . 1 1 74 74 THR CA C 74 61.700 61.700 64.061 -2.361 25763 5110 1 16 . 1 1 74 74 THR CB C 74 69.700 69.700 69.603 0.097 25763 5111 1 16 . 1 1 74 74 THR H H 74 8.160 8.160 8.450 -0.290 25763 5112 1 16 . 1 1 75 75 GLY N N 75 110.600 110.600 110.406 0.194 25763 5113 1 16 . 1 1 75 75 GLY C C 75 174.100 174.100 172.941 1.159 25763 5114 1 16 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.067 0.333 25763 5115 1 16 . 1 1 75 75 GLY H H 75 8.540 8.540 8.195 0.345 25763 5116 1 16 . 1 1 76 76 ARG N N 76 120.100 120.100 121.175 -1.075 25763 5117 1 16 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.448 -0.078 25763 5118 1 16 . 1 1 76 76 ARG C C 76 176.600 176.600 175.694 0.906 25763 5119 1 16 . 1 1 76 76 ARG CA C 76 56.000 56.000 54.357 1.643 25763 5120 1 16 . 1 1 76 76 ARG CB C 76 30.400 30.400 29.048 1.352 25763 5121 1 16 . 1 1 76 76 ARG H H 76 8.340 8.340 8.190 0.150 25763 5122 1 16 . 1 1 77 77 GLY N N 77 109.400 109.400 114.145 -4.745 25763 5123 1 16 . 1 1 77 77 GLY C C 77 173.800 173.800 172.708 1.092 25763 5124 1 16 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.964 -0.064 25763 5125 1 16 . 1 1 77 77 GLY H H 77 8.560 8.560 7.591 0.969 25763 5126 1 16 . 1 1 78 78 PHE N N 78 119.200 119.200 120.406 -1.206 25763 5127 1 16 . 1 1 78 78 PHE C C 78 175.500 175.500 175.323 0.177 25763 5128 1 16 . 1 1 78 78 PHE CA C 78 57.800 57.800 57.655 0.145 25763 5129 1 16 . 1 1 78 78 PHE CB C 78 39.300 39.300 41.116 -1.816 25763 5130 1 16 . 1 1 78 78 PHE H H 78 8.270 8.270 8.003 0.267 25763 5131 1 16 . 1 1 79 79 ASP N N 79 121.400 121.400 123.395 -1.995 25763 5132 1 16 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.815 -0.185 25763 5133 1 16 . 1 1 79 79 ASP C C 79 175.000 175.000 175.438 -0.438 25763 5134 1 16 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.635 -0.335 25763 5135 1 16 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.782 -1.082 25763 5136 1 16 . 1 1 79 79 ASP H H 79 8.540 8.540 8.607 -0.067 25763 5137 1 17 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.792 -9.292 25763 5138 1 17 . 1 1 2 2 PRO CB C 2 32.200 32.200 33.014 -0.814 25763 5139 1 17 . 1 1 3 3 GLY N N 3 109.800 109.800 106.512 3.288 25763 5140 1 17 . 1 1 3 3 GLY C C 3 174.100 174.100 174.457 -0.357 25763 5141 1 17 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.767 0.333 25763 5142 1 17 . 1 1 3 3 GLY H H 3 8.800 8.800 8.491 0.309 25763 5143 1 17 . 1 1 4 4 SER N N 4 115.200 115.200 116.772 -1.572 25763 5144 1 17 . 1 1 4 4 SER HA H 4 4.510 4.510 4.687 -0.177 25763 5145 1 17 . 1 1 4 4 SER C C 4 174.400 174.400 174.759 -0.359 25763 5146 1 17 . 1 1 4 4 SER CA C 4 58.200 58.200 57.881 0.319 25763 5147 1 17 . 1 1 4 4 SER CB C 4 63.500 63.500 64.435 -0.935 25763 5148 1 17 . 1 1 4 4 SER H H 4 8.280 8.280 7.785 0.495 25763 5149 1 17 . 1 1 5 5 MET HA H 5 4.200 4.200 4.449 -0.249 25763 5150 1 17 . 1 1 5 5 MET C C 5 175.800 175.800 175.407 0.393 25763 5151 1 17 . 1 1 5 5 MET CA C 5 61.900 61.900 56.303 5.597 25763 5152 1 17 . 1 1 5 5 MET CB C 5 32.900 32.900 33.197 -0.297 25763 5153 1 17 . 1 1 6 6 SER N N 6 119.700 119.700 110.913 8.787 25763 5154 1 17 . 1 1 6 6 SER HA H 6 4.550 4.550 5.027 -0.477 25763 5155 1 17 . 1 1 6 6 SER C C 6 174.100 174.100 173.509 0.591 25763 5156 1 17 . 1 1 6 6 SER CA C 6 57.700 57.700 56.910 0.790 25763 5157 1 17 . 1 1 6 6 SER CB C 6 63.500 63.500 65.385 -1.885 25763 5158 1 17 . 1 1 6 6 SER H H 6 8.530 8.530 7.576 0.954 25763 5159 1 17 . 1 1 7 7 ILE N N 7 122.400 122.400 125.821 -3.421 25763 5160 1 17 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.204 0.036 25763 5161 1 17 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.497 -0.997 25763 5162 1 17 . 1 1 7 7 ILE CB C 7 38.800 38.800 39.302 -0.502 25763 5163 1 17 . 1 1 7 7 ILE H H 7 8.360 8.360 9.536 -1.176 25763 5164 1 17 . 1 1 8 8 ASN N N 8 123.600 123.600 115.438 8.162 25763 5165 1 17 . 1 1 8 8 ASN CA C 8 51.000 51.000 51.674 -0.674 25763 5166 1 17 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.761 -1.960 25763 5167 1 17 . 1 1 8 8 ASN H H 8 8.700 8.700 7.934 0.766 25763 5168 1 17 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.540 0.080 25763 5169 1 17 . 1 1 13 13 ASP C C 13 176.800 176.800 176.765 0.035 25763 5170 1 17 . 1 1 13 13 ASP CA C 13 55.700 55.700 55.175 0.525 25763 5171 1 17 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.072 -0.172 25763 5172 1 17 . 1 1 14 14 ASN N N 14 117.700 117.700 115.652 2.048 25763 5173 1 17 . 1 1 14 14 ASN C C 14 175.600 175.600 175.689 -0.089 25763 5174 1 17 . 1 1 14 14 ASN CA C 14 53.300 53.300 54.395 -1.095 25763 5175 1 17 . 1 1 14 14 ASN CB C 14 39.100 39.100 39.304 -0.204 25763 5176 1 17 . 1 1 14 14 ASN H H 14 8.720 8.720 7.730 0.990 25763 5177 1 17 . 1 1 15 15 GLY N N 15 107.500 107.500 107.243 0.257 25763 5178 1 17 . 1 1 15 15 GLY C C 15 172.600 172.600 172.358 0.242 25763 5179 1 17 . 1 1 15 15 GLY CA C 15 45.100 45.100 45.340 -0.240 25763 5180 1 17 . 1 1 15 15 GLY H H 15 8.160 8.160 7.932 0.228 25763 5181 1 17 . 1 1 16 16 SER N N 16 114.000 114.000 118.293 -4.293 25763 5182 1 17 . 1 1 16 16 SER HA H 16 4.710 4.710 5.463 -0.753 25763 5183 1 17 . 1 1 16 16 SER C C 16 174.100 174.100 174.046 0.054 25763 5184 1 17 . 1 1 16 16 SER CA C 16 57.300 57.300 57.096 0.204 25763 5185 1 17 . 1 1 16 16 SER CB C 16 64.200 64.200 65.994 -1.794 25763 5186 1 17 . 1 1 16 16 SER H H 16 7.780 7.780 8.039 -0.259 25763 5187 1 17 . 1 1 17 17 PHE N N 17 123.000 123.000 121.902 1.098 25763 5188 1 17 . 1 1 17 17 PHE CA C 17 57.700 57.700 56.013 1.687 25763 5189 1 17 . 1 1 17 17 PHE CB C 17 46.000 46.000 39.079 6.921 25763 5190 1 17 . 1 1 17 17 PHE H H 17 9.570 9.570 8.684 0.886 25763 5191 1 17 . 1 1 18 18 PHE N N 18 114.900 114.900 113.646 1.254 25763 5192 1 17 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.427 0.333 25763 5193 1 17 . 1 1 18 18 PHE C C 18 177.000 177.000 173.884 3.116 25763 5194 1 17 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.508 -0.108 25763 5195 1 17 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.928 2.272 25763 5196 1 17 . 1 1 18 18 PHE H H 18 9.680 9.680 7.554 2.126 25763 5197 1 17 . 1 1 19 19 VAL N N 19 117.000 117.000 120.315 -3.315 25763 5198 1 17 . 1 1 19 19 VAL C C 19 175.000 175.000 173.661 1.339 25763 5199 1 17 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.239 1.161 25763 5200 1 17 . 1 1 19 19 VAL CB C 19 33.000 33.000 36.142 -3.142 25763 5201 1 17 . 1 1 19 19 VAL H H 19 8.720 8.720 8.808 -0.088 25763 5202 1 17 . 1 1 20 20 LEU N N 20 126.400 126.400 129.115 -2.715 25763 5203 1 17 . 1 1 20 20 LEU HA H 20 5.870 5.870 5.020 0.850 25763 5204 1 17 . 1 1 20 20 LEU C C 20 176.800 176.800 174.546 2.254 25763 5205 1 17 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.056 -1.056 25763 5206 1 17 . 1 1 20 20 LEU H H 20 9.490 9.490 9.077 0.413 25763 5207 1 17 . 1 1 21 21 VAL N N 21 114.200 114.200 125.405 -11.205 25763 5208 1 17 . 1 1 21 21 VAL HA H 21 5.740 5.740 4.936 0.804 25763 5209 1 17 . 1 1 21 21 VAL C C 21 174.600 174.600 174.488 0.112 25763 5210 1 17 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.826 -1.726 25763 5211 1 17 . 1 1 21 21 VAL H H 21 9.210 9.210 8.710 0.500 25763 5212 1 17 . 1 1 22 22 ASN N N 22 121.000 121.000 121.288 -0.288 25763 5213 1 17 . 1 1 22 22 ASN C C 22 177.500 177.500 175.675 1.825 25763 5214 1 17 . 1 1 22 22 ASN CA C 22 49.600 49.600 51.681 -2.081 25763 5215 1 17 . 1 1 22 22 ASN H H 22 7.390 7.390 8.891 -1.501 25763 5216 1 17 . 1 1 23 23 ASP N N 23 117.600 117.600 125.817 -8.217 25763 5217 1 17 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.598 -0.098 25763 5218 1 17 . 1 1 23 23 ASP C C 23 176.500 176.500 176.766 -0.266 25763 5219 1 17 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.289 -0.189 25763 5220 1 17 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.774 -1.074 25763 5221 1 17 . 1 1 23 23 ASP H H 23 8.380 8.380 8.344 0.036 25763 5222 1 17 . 1 1 24 24 GLU N N 24 117.900 117.900 118.855 -0.955 25763 5223 1 17 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.232 0.208 25763 5224 1 17 . 1 1 24 24 GLU C C 24 175.100 175.100 175.997 -0.897 25763 5225 1 17 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.886 -1.486 25763 5226 1 17 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.669 -0.569 25763 5227 1 17 . 1 1 24 24 GLU H H 24 7.300 7.300 7.757 -0.457 25763 5228 1 17 . 1 1 25 25 GLU N N 25 113.000 113.000 112.995 0.005 25763 5229 1 17 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.977 -0.147 25763 5230 1 17 . 1 1 25 25 GLU C C 25 175.900 175.900 174.968 0.932 25763 5231 1 17 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.227 0.472 25763 5232 1 17 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.363 -0.863 25763 5233 1 17 . 1 1 25 25 GLU H H 25 8.120 8.120 8.236 -0.116 25763 5234 1 17 . 1 1 26 26 GLN N N 26 117.100 117.100 119.177 -2.077 25763 5235 1 17 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.425 -0.055 25763 5236 1 17 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.218 -1.618 25763 5237 1 17 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.960 -0.560 25763 5238 1 17 . 1 1 26 26 GLN H H 26 7.770 7.770 7.644 0.126 25763 5239 1 17 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.677 0.443 25763 5240 1 17 . 1 1 27 27 HIS C C 27 174.100 174.100 174.096 0.004 25763 5241 1 17 . 1 1 27 27 HIS CA C 27 53.900 53.900 54.256 -0.356 25763 5242 1 17 . 1 1 28 28 SER N N 28 111.900 111.900 117.438 -5.538 25763 5243 1 17 . 1 1 28 28 SER C C 28 173.200 173.200 172.600 0.600 25763 5244 1 17 . 1 1 28 28 SER CA C 28 57.700 57.700 57.916 -0.216 25763 5245 1 17 . 1 1 28 28 SER H H 28 8.830 8.830 9.129 -0.299 25763 5246 1 17 . 1 1 29 29 LEU N N 29 126.000 126.000 119.007 6.993 25763 5247 1 17 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.705 0.605 25763 5248 1 17 . 1 1 29 29 LEU CA C 29 55.200 55.200 54.479 0.721 25763 5249 1 17 . 1 1 29 29 LEU H H 29 8.840 8.840 8.290 0.550 25763 5250 1 17 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.398 0.672 25763 5251 1 17 . 1 1 31 31 PRO C C 31 176.300 176.300 176.642 -0.342 25763 5252 1 17 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.621 -0.621 25763 5253 1 17 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.196 0.804 25763 5254 1 17 . 1 1 32 32 ALA N N 32 121.500 121.500 126.892 -5.392 25763 5255 1 17 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.812 0.048 25763 5256 1 17 . 1 1 32 32 ALA C C 32 177.600 177.600 177.284 0.316 25763 5257 1 17 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.255 0.245 25763 5258 1 17 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.022 -0.422 25763 5259 1 17 . 1 1 32 32 ALA H H 32 7.940 7.940 7.781 0.159 25763 5260 1 17 . 1 1 33 33 PHE N N 33 111.800 111.800 116.343 -4.543 25763 5261 1 17 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.369 0.171 25763 5262 1 17 . 1 1 33 33 PHE C C 33 174.700 174.700 175.576 -0.876 25763 5263 1 17 . 1 1 33 33 PHE CA C 33 56.400 56.400 58.136 -1.736 25763 5264 1 17 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.008 -1.508 25763 5265 1 17 . 1 1 33 33 PHE H H 33 6.970 6.970 7.646 -0.676 25763 5266 1 17 . 1 1 34 34 ALA N N 34 125.700 125.700 122.073 3.627 25763 5267 1 17 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.555 0.075 25763 5268 1 17 . 1 1 34 34 ALA C C 34 177.700 177.700 176.162 1.538 25763 5269 1 17 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.317 -1.017 25763 5270 1 17 . 1 1 34 34 ALA CB C 34 20.200 20.200 20.524 -0.324 25763 5271 1 17 . 1 1 34 34 ALA H H 34 7.080 7.080 7.511 -0.431 25763 5272 1 17 . 1 1 35 35 ASP N N 35 124.700 124.700 120.080 4.620 25763 5273 1 17 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.622 -0.122 25763 5274 1 17 . 1 1 35 35 ASP C C 35 176.400 176.400 175.837 0.563 25763 5275 1 17 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.452 0.548 25763 5276 1 17 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.665 -1.565 25763 5277 1 17 . 1 1 35 35 ASP H H 35 8.960 8.960 8.472 0.488 25763 5278 1 17 . 1 1 36 36 VAL N N 36 125.800 125.800 124.663 1.137 25763 5279 1 17 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.661 1.639 25763 5280 1 17 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.720 0.380 25763 5281 1 17 . 1 1 36 36 VAL H H 36 8.700 8.700 8.357 0.343 25763 5282 1 17 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.564 -0.294 25763 5283 1 17 . 1 1 37 37 PRO C C 37 175.600 175.600 176.461 -0.861 25763 5284 1 17 . 1 1 37 37 PRO CA C 37 62.100 62.100 63.038 -0.938 25763 5285 1 17 . 1 1 37 37 PRO CB C 37 31.400 31.400 31.671 -0.271 25763 5286 1 17 . 1 1 38 38 ALA N N 38 122.800 122.800 126.700 -3.900 25763 5287 1 17 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.465 0.765 25763 5288 1 17 . 1 1 38 38 ALA C C 38 179.100 179.100 178.159 0.941 25763 5289 1 17 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.904 0.297 25763 5290 1 17 . 1 1 38 38 ALA CB C 38 18.100 18.100 18.979 -0.879 25763 5291 1 17 . 1 1 38 38 ALA H H 38 8.380 8.380 8.262 0.118 25763 5292 1 17 . 1 1 39 39 GLY N N 39 110.000 110.000 106.612 3.388 25763 5293 1 17 . 1 1 39 39 GLY C C 39 173.800 173.800 172.753 1.047 25763 5294 1 17 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.565 0.035 25763 5295 1 17 . 1 1 39 39 GLY H H 39 8.880 8.880 8.255 0.625 25763 5296 1 17 . 1 1 40 40 TRP N N 40 120.300 120.300 117.434 2.866 25763 5297 1 17 . 1 1 40 40 TRP C C 40 174.800 174.800 174.309 0.491 25763 5298 1 17 . 1 1 40 40 TRP CA C 40 56.100 56.100 54.074 2.026 25763 5299 1 17 . 1 1 40 40 TRP CB C 40 31.600 31.600 31.239 0.361 25763 5300 1 17 . 1 1 40 40 TRP H H 40 7.810 7.810 6.419 1.391 25763 5301 1 17 . 1 1 41 41 ARG N N 41 117.800 117.800 120.817 -3.017 25763 5302 1 17 . 1 1 41 41 ARG C C 41 174.700 174.700 174.047 0.653 25763 5303 1 17 . 1 1 41 41 ARG CA C 41 54.000 54.000 56.046 -2.046 25763 5304 1 17 . 1 1 41 41 ARG CB C 41 32.900 32.900 33.527 -0.627 25763 5305 1 17 . 1 1 41 41 ARG H H 41 9.260 9.260 9.163 0.097 25763 5306 1 17 . 1 1 42 42 VAL N N 42 122.400 122.400 125.408 -3.008 25763 5307 1 17 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.089 0.001 25763 5308 1 17 . 1 1 42 42 VAL C C 42 177.900 177.900 175.243 2.657 25763 5309 1 17 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.312 0.988 25763 5310 1 17 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.830 -0.630 25763 5311 1 17 . 1 1 42 42 VAL H H 42 8.790 8.790 8.787 0.003 25763 5312 1 17 . 1 1 43 43 VAL N N 43 119.100 119.100 122.500 -3.400 25763 5313 1 17 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.212 0.578 25763 5314 1 17 . 1 1 43 43 VAL C C 43 174.700 174.700 175.250 -0.550 25763 5315 1 17 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.659 -2.059 25763 5316 1 17 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.774 0.926 25763 5317 1 17 . 1 1 43 43 VAL H H 43 9.140 9.140 8.444 0.696 25763 5318 1 17 . 1 1 44 44 HIS N N 44 119.200 119.200 117.809 1.391 25763 5319 1 17 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.748 -0.198 25763 5320 1 17 . 1 1 44 44 HIS C C 44 173.400 173.400 173.776 -0.376 25763 5321 1 17 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.416 1.984 25763 5322 1 17 . 1 1 44 44 HIS CB C 44 32.700 32.700 32.646 0.054 25763 5323 1 17 . 1 1 44 44 HIS H H 44 7.720 7.720 7.605 0.115 25763 5324 1 17 . 1 1 45 45 GLY N N 45 111.800 111.800 111.391 0.409 25763 5325 1 17 . 1 1 45 45 GLY C C 45 174.600 174.600 173.419 1.181 25763 5326 1 17 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.140 -2.040 25763 5327 1 17 . 1 1 45 45 GLY H H 45 7.680 7.680 7.970 -0.290 25763 5328 1 17 . 1 1 46 46 GLU N N 46 121.400 121.400 118.733 2.667 25763 5329 1 17 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.767 0.423 25763 5330 1 17 . 1 1 46 46 GLU C C 46 175.200 175.200 175.199 0.001 25763 5331 1 17 . 1 1 46 46 GLU CA C 46 57.000 57.000 58.522 -1.522 25763 5332 1 17 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.697 0.703 25763 5333 1 17 . 1 1 46 46 GLU H H 46 8.680 8.680 8.617 0.063 25763 5334 1 17 . 1 1 47 47 ALA N N 47 126.700 126.700 123.989 2.711 25763 5335 1 17 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.626 0.174 25763 5336 1 17 . 1 1 47 47 ALA C C 47 174.900 174.900 175.650 -0.750 25763 5337 1 17 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.311 -0.311 25763 5338 1 17 . 1 1 47 47 ALA CB C 47 22.000 22.000 22.406 -0.406 25763 5339 1 17 . 1 1 47 47 ALA H H 47 9.430 9.430 7.988 1.442 25763 5340 1 17 . 1 1 48 48 ASP N N 48 117.400 117.400 120.018 -2.618 25763 5341 1 17 . 1 1 48 48 ASP C C 48 175.800 175.800 177.450 -1.650 25763 5342 1 17 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.440 0.360 25763 5343 1 17 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.835 -0.935 25763 5344 1 17 . 1 1 48 48 ASP H H 48 8.560 8.560 8.574 -0.014 25763 5345 1 17 . 1 1 49 49 ARG N N 49 121.500 121.500 122.005 -0.505 25763 5346 1 17 . 1 1 49 49 ARG HA H 49 3.360 3.360 4.036 -0.676 25763 5347 1 17 . 1 1 49 49 ARG C C 49 179.000 179.000 177.991 1.009 25763 5348 1 17 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.820 1.080 25763 5349 1 17 . 1 1 49 49 ARG H H 49 9.310 9.310 8.744 0.566 25763 5350 1 17 . 1 1 50 50 ALA N N 50 119.000 119.000 120.688 -1.688 25763 5351 1 17 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.136 -0.066 25763 5352 1 17 . 1 1 50 50 ALA C C 50 180.500 180.500 179.615 0.885 25763 5353 1 17 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.912 0.288 25763 5354 1 17 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.931 -0.231 25763 5355 1 17 . 1 1 50 50 ALA H H 50 8.620 8.620 8.571 0.049 25763 5356 1 17 . 1 1 51 51 ALA N N 51 121.700 121.700 120.714 0.986 25763 5357 1 17 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.006 0.324 25763 5358 1 17 . 1 1 51 51 ALA C C 51 182.300 182.300 179.265 3.035 25763 5359 1 17 . 1 1 51 51 ALA CA C 51 54.600 54.600 55.035 -0.435 25763 5360 1 17 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.043 0.757 25763 5361 1 17 . 1 1 51 51 ALA H H 51 8.340 8.340 7.635 0.705 25763 5362 1 17 . 1 1 52 52 CYS N N 52 117.900 117.900 116.941 0.959 25763 5363 1 17 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.277 -0.137 25763 5364 1 17 . 1 1 52 52 CYS C C 52 176.800 176.800 176.832 -0.032 25763 5365 1 17 . 1 1 52 52 CYS CA C 52 64.500 64.500 62.062 2.438 25763 5366 1 17 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.872 0.228 25763 5367 1 17 . 1 1 52 52 CYS H H 52 8.300 8.300 8.097 0.203 25763 5368 1 17 . 1 1 53 53 LEU N N 53 120.600 120.600 120.448 0.152 25763 5369 1 17 . 1 1 53 53 LEU HA H 53 4.170 4.170 4.197 -0.027 25763 5370 1 17 . 1 1 53 53 LEU C C 53 179.900 179.900 179.058 0.842 25763 5371 1 17 . 1 1 53 53 LEU CA C 53 58.100 58.100 58.030 0.070 25763 5372 1 17 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.882 -1.382 25763 5373 1 17 . 1 1 53 53 LEU H H 53 8.780 8.780 8.140 0.640 25763 5374 1 17 . 1 1 54 54 GLU N N 54 120.600 120.600 120.311 0.289 25763 5375 1 17 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.987 0.133 25763 5376 1 17 . 1 1 54 54 GLU C C 54 178.300 178.300 178.395 -0.095 25763 5377 1 17 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.081 0.219 25763 5378 1 17 . 1 1 54 54 GLU CB C 54 29.400 29.400 28.815 0.585 25763 5379 1 17 . 1 1 54 54 GLU H H 54 8.350 8.350 8.590 -0.240 25763 5380 1 17 . 1 1 55 55 TYR N N 55 120.800 120.800 119.607 1.193 25763 5381 1 17 . 1 1 55 55 TYR HA H 55 4.150 4.150 3.582 0.569 25763 5382 1 17 . 1 1 55 55 TYR CA C 55 61.700 61.700 59.132 2.568 25763 5383 1 17 . 1 1 55 55 TYR CB C 55 37.600 37.600 36.212 1.387 25763 5384 1 17 . 1 1 55 55 TYR H H 55 7.890 7.890 8.010 -0.120 25763 5385 1 17 . 1 1 56 56 ILE C C 56 176.700 176.700 177.092 -0.392 25763 5386 1 17 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.781 0.419 25763 5387 1 17 . 1 1 57 57 GLU N N 57 119.400 119.400 119.513 -0.113 25763 5388 1 17 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.012 0.018 25763 5389 1 17 . 1 1 57 57 GLU C C 57 177.700 177.700 177.560 0.140 25763 5390 1 17 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.739 -0.239 25763 5391 1 17 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.830 -0.930 25763 5392 1 17 . 1 1 57 57 GLU H H 57 8.290 8.290 7.809 0.481 25763 5393 1 17 . 1 1 58 58 GLU N N 58 115.000 115.000 114.715 0.285 25763 5394 1 17 . 1 1 58 58 GLU HA H 58 3.880 3.880 3.837 0.043 25763 5395 1 17 . 1 1 58 58 GLU C C 58 177.600 177.600 176.601 0.999 25763 5396 1 17 . 1 1 58 58 GLU CA C 58 57.700 57.700 56.793 0.907 25763 5397 1 17 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.127 -0.727 25763 5398 1 17 . 1 1 58 58 GLU H H 58 7.780 7.780 7.751 0.029 25763 5399 1 17 . 1 1 59 59 HIS N N 59 113.700 113.700 117.318 -3.618 25763 5400 1 17 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.096 2.304 25763 5401 1 17 . 1 1 59 59 HIS CB C 59 28.000 28.000 26.666 1.333 25763 5402 1 17 . 1 1 59 59 HIS H H 59 7.420 7.420 7.585 -0.166 25763 5403 1 17 . 1 1 63 63 ILE CB C 63 38.600 38.600 36.423 2.177 25763 5404 1 17 . 1 1 68 68 LEU CA C 68 55.700 55.700 55.854 -0.154 25763 5405 1 17 . 1 1 68 68 LEU CB C 68 42.100 42.100 40.422 1.678 25763 5406 1 17 . 1 1 69 69 ARG N N 69 121.100 121.100 124.193 -3.093 25763 5407 1 17 . 1 1 69 69 ARG H H 69 8.550 8.550 8.189 0.361 25763 5408 1 17 . 1 1 70 70 ASP C C 70 176.000 176.000 176.669 -0.669 25763 5409 1 17 . 1 1 70 70 ASP CA C 70 55.600 55.600 55.213 0.387 25763 5410 1 17 . 1 1 70 70 ASP CB C 70 41.000 41.000 39.879 1.121 25763 5411 1 17 . 1 1 71 71 LYS N N 71 121.200 121.200 114.793 6.407 25763 5412 1 17 . 1 1 71 71 LYS HA H 71 4.220 4.220 3.905 0.315 25763 5413 1 17 . 1 1 71 71 LYS C C 71 177.500 177.500 176.161 1.339 25763 5414 1 17 . 1 1 71 71 LYS CA C 71 57.100 57.100 58.852 -1.752 25763 5415 1 17 . 1 1 71 71 LYS CB C 71 32.600 32.600 31.360 1.240 25763 5416 1 17 . 1 1 71 71 LYS H H 71 8.260 8.260 8.673 -0.413 25763 5417 1 17 . 1 1 72 72 LEU N N 72 121.600 121.600 119.410 2.190 25763 5418 1 17 . 1 1 72 72 LEU CA C 72 55.300 55.300 57.112 -1.812 25763 5419 1 17 . 1 1 72 72 LEU CB C 72 42.100 42.100 42.485 -0.385 25763 5420 1 17 . 1 1 72 72 LEU H H 72 8.330 8.330 7.866 0.464 25763 5421 1 17 . 1 1 73 73 ALA N N 73 123.900 123.900 119.311 4.589 25763 5422 1 17 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.627 -0.217 25763 5423 1 17 . 1 1 73 73 ALA C C 73 177.900 177.900 175.490 2.410 25763 5424 1 17 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.357 1.143 25763 5425 1 17 . 1 1 73 73 ALA CB C 73 18.800 18.800 20.297 -1.497 25763 5426 1 17 . 1 1 73 73 ALA H H 73 8.250 8.250 7.272 0.978 25763 5427 1 17 . 1 1 74 74 THR N N 74 112.000 112.000 116.577 -4.577 25763 5428 1 17 . 1 1 74 74 THR HA H 74 4.400 4.400 4.298 0.102 25763 5429 1 17 . 1 1 74 74 THR C C 74 175.200 175.200 173.139 2.061 25763 5430 1 17 . 1 1 74 74 THR CA C 74 61.700 61.700 61.795 -0.095 25763 5431 1 17 . 1 1 74 74 THR CB C 74 69.700 69.700 70.001 -0.302 25763 5432 1 17 . 1 1 74 74 THR H H 74 8.160 8.160 8.454 -0.294 25763 5433 1 17 . 1 1 75 75 GLY N N 75 110.600 110.600 111.989 -1.389 25763 5434 1 17 . 1 1 75 75 GLY C C 75 174.100 174.100 172.371 1.729 25763 5435 1 17 . 1 1 75 75 GLY CA C 75 45.400 45.400 44.664 0.736 25763 5436 1 17 . 1 1 75 75 GLY H H 75 8.540 8.540 8.103 0.437 25763 5437 1 17 . 1 1 76 76 ARG N N 76 120.100 120.100 120.319 -0.219 25763 5438 1 17 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.609 -0.239 25763 5439 1 17 . 1 1 76 76 ARG C C 76 176.600 176.600 175.193 1.407 25763 5440 1 17 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.926 0.074 25763 5441 1 17 . 1 1 76 76 ARG CB C 76 30.400 30.400 32.798 -2.398 25763 5442 1 17 . 1 1 76 76 ARG H H 76 8.340 8.340 8.559 -0.219 25763 5443 1 17 . 1 1 77 77 GLY N N 77 109.400 109.400 115.225 -5.825 25763 5444 1 17 . 1 1 77 77 GLY C C 77 173.800 173.800 173.738 0.062 25763 5445 1 17 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.307 -0.407 25763 5446 1 17 . 1 1 77 77 GLY H H 77 8.560 8.560 8.686 -0.126 25763 5447 1 17 . 1 1 78 78 PHE N N 78 119.200 119.200 122.350 -3.150 25763 5448 1 17 . 1 1 78 78 PHE C C 78 175.500 175.500 174.466 1.034 25763 5449 1 17 . 1 1 78 78 PHE CA C 78 57.800 57.800 55.065 2.735 25763 5450 1 17 . 1 1 78 78 PHE CB C 78 39.300 39.300 41.157 -1.857 25763 5451 1 17 . 1 1 78 78 PHE H H 78 8.270 8.270 7.588 0.682 25763 5452 1 17 . 1 1 79 79 ASP N N 79 121.400 121.400 121.248 0.152 25763 5453 1 17 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.730 -0.100 25763 5454 1 17 . 1 1 79 79 ASP C C 79 175.000 175.000 174.892 0.108 25763 5455 1 17 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.144 0.156 25763 5456 1 17 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.038 -0.338 25763 5457 1 17 . 1 1 79 79 ASP H H 79 8.540 8.540 8.751 -0.211 25763 5458 1 18 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.521 -9.021 25763 5459 1 18 . 1 1 2 2 PRO CB C 2 32.200 32.200 33.206 -1.006 25763 5460 1 18 . 1 1 3 3 GLY N N 3 109.800 109.800 108.886 0.914 25763 5461 1 18 . 1 1 3 3 GLY C C 3 174.100 174.100 174.776 -0.676 25763 5462 1 18 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.662 0.438 25763 5463 1 18 . 1 1 3 3 GLY H H 3 8.800 8.800 8.252 0.548 25763 5464 1 18 . 1 1 4 4 SER N N 4 115.200 115.200 121.011 -5.811 25763 5465 1 18 . 1 1 4 4 SER HA H 4 4.510 4.510 4.330 0.180 25763 5466 1 18 . 1 1 4 4 SER C C 4 174.400 174.400 175.646 -1.246 25763 5467 1 18 . 1 1 4 4 SER CA C 4 58.200 58.200 59.218 -1.018 25763 5468 1 18 . 1 1 4 4 SER CB C 4 63.500 63.500 63.781 -0.280 25763 5469 1 18 . 1 1 4 4 SER H H 4 8.280 8.280 8.128 0.152 25763 5470 1 18 . 1 1 5 5 MET HA H 5 4.200 4.200 4.160 0.040 25763 5471 1 18 . 1 1 5 5 MET C C 5 175.800 175.800 176.935 -1.135 25763 5472 1 18 . 1 1 5 5 MET CA C 5 61.900 61.900 57.843 4.057 25763 5473 1 18 . 1 1 5 5 MET CB C 5 32.900 32.900 32.620 0.280 25763 5474 1 18 . 1 1 6 6 SER N N 6 119.700 119.700 114.060 5.640 25763 5475 1 18 . 1 1 6 6 SER HA H 6 4.550 4.550 4.355 0.195 25763 5476 1 18 . 1 1 6 6 SER C C 6 174.100 174.100 173.988 0.112 25763 5477 1 18 . 1 1 6 6 SER CA C 6 57.700 57.700 58.654 -0.954 25763 5478 1 18 . 1 1 6 6 SER CB C 6 63.500 63.500 63.709 -0.209 25763 5479 1 18 . 1 1 6 6 SER H H 6 8.530 8.530 7.769 0.761 25763 5480 1 18 . 1 1 7 7 ILE N N 7 122.400 122.400 122.352 0.048 25763 5481 1 18 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.226 0.014 25763 5482 1 18 . 1 1 7 7 ILE CA C 7 60.500 60.500 60.951 -0.451 25763 5483 1 18 . 1 1 7 7 ILE CB C 7 38.800 38.800 38.049 0.751 25763 5484 1 18 . 1 1 7 7 ILE H H 7 8.360 8.360 8.373 -0.013 25763 5485 1 18 . 1 1 8 8 ASN N N 8 123.600 123.600 125.276 -1.676 25763 5486 1 18 . 1 1 8 8 ASN CA C 8 51.000 51.000 54.168 -3.168 25763 5487 1 18 . 1 1 8 8 ASN CB C 8 38.800 38.800 37.456 1.344 25763 5488 1 18 . 1 1 8 8 ASN H H 8 8.700 8.700 8.769 -0.069 25763 5489 1 18 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.036 0.584 25763 5490 1 18 . 1 1 13 13 ASP C C 13 176.800 176.800 176.419 0.381 25763 5491 1 18 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.887 -1.187 25763 5492 1 18 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.660 0.240 25763 5493 1 18 . 1 1 14 14 ASN N N 14 117.700 117.700 114.492 3.208 25763 5494 1 18 . 1 1 14 14 ASN C C 14 175.600 175.600 175.242 0.358 25763 5495 1 18 . 1 1 14 14 ASN CA C 14 53.300 53.300 52.750 0.550 25763 5496 1 18 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.567 0.533 25763 5497 1 18 . 1 1 14 14 ASN H H 14 8.720 8.720 8.325 0.395 25763 5498 1 18 . 1 1 15 15 GLY N N 15 107.500 107.500 108.816 -1.316 25763 5499 1 18 . 1 1 15 15 GLY C C 15 172.600 172.600 174.084 -1.484 25763 5500 1 18 . 1 1 15 15 GLY CA C 15 45.100 45.100 43.455 1.645 25763 5501 1 18 . 1 1 15 15 GLY H H 15 8.160 8.160 7.778 0.382 25763 5502 1 18 . 1 1 16 16 SER N N 16 114.000 114.000 115.106 -1.106 25763 5503 1 18 . 1 1 16 16 SER HA H 16 4.710 4.710 4.507 0.203 25763 5504 1 18 . 1 1 16 16 SER C C 16 174.100 174.100 174.387 -0.287 25763 5505 1 18 . 1 1 16 16 SER CA C 16 57.300 57.300 59.309 -2.009 25763 5506 1 18 . 1 1 16 16 SER CB C 16 64.200 64.200 64.154 0.046 25763 5507 1 18 . 1 1 16 16 SER H H 16 7.780 7.780 8.514 -0.734 25763 5508 1 18 . 1 1 17 17 PHE N N 17 123.000 123.000 124.537 -1.537 25763 5509 1 18 . 1 1 17 17 PHE CA C 17 57.700 57.700 59.287 -1.587 25763 5510 1 18 . 1 1 17 17 PHE CB C 17 46.000 46.000 38.293 7.707 25763 5511 1 18 . 1 1 17 17 PHE H H 17 9.570 9.570 9.018 0.552 25763 5512 1 18 . 1 1 18 18 PHE N N 18 114.900 114.900 123.530 -8.630 25763 5513 1 18 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.058 0.702 25763 5514 1 18 . 1 1 18 18 PHE C C 18 177.000 177.000 173.027 3.973 25763 5515 1 18 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.768 -0.368 25763 5516 1 18 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.734 2.466 25763 5517 1 18 . 1 1 18 18 PHE H H 18 9.680 9.680 6.950 2.730 25763 5518 1 18 . 1 1 19 19 VAL N N 19 117.000 117.000 121.500 -4.500 25763 5519 1 18 . 1 1 19 19 VAL C C 19 175.000 175.000 173.671 1.329 25763 5520 1 18 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.112 1.288 25763 5521 1 18 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.786 -2.787 25763 5522 1 18 . 1 1 19 19 VAL H H 19 8.720 8.720 8.915 -0.195 25763 5523 1 18 . 1 1 20 20 LEU N N 20 126.400 126.400 128.906 -2.506 25763 5524 1 18 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.935 0.935 25763 5525 1 18 . 1 1 20 20 LEU C C 20 176.800 176.800 174.218 2.582 25763 5526 1 18 . 1 1 20 20 LEU CA C 20 52.000 52.000 52.983 -0.984 25763 5527 1 18 . 1 1 20 20 LEU H H 20 9.490 9.490 8.850 0.640 25763 5528 1 18 . 1 1 21 21 VAL N N 21 114.200 114.200 123.131 -8.931 25763 5529 1 18 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.036 0.704 25763 5530 1 18 . 1 1 21 21 VAL C C 21 174.600 174.600 174.663 -0.063 25763 5531 1 18 . 1 1 21 21 VAL CA C 21 59.100 59.100 58.418 0.682 25763 5532 1 18 . 1 1 21 21 VAL H H 21 9.210 9.210 9.068 0.142 25763 5533 1 18 . 1 1 22 22 ASN N N 22 121.000 121.000 126.140 -5.140 25763 5534 1 18 . 1 1 22 22 ASN C C 22 177.500 177.500 175.785 1.715 25763 5535 1 18 . 1 1 22 22 ASN CA C 22 49.600 49.600 53.140 -3.540 25763 5536 1 18 . 1 1 22 22 ASN H H 22 7.390 7.390 8.639 -1.249 25763 5537 1 18 . 1 1 23 23 ASP N N 23 117.600 117.600 122.179 -4.579 25763 5538 1 18 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.502 -0.002 25763 5539 1 18 . 1 1 23 23 ASP C C 23 176.500 176.500 176.717 -0.217 25763 5540 1 18 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.550 -0.450 25763 5541 1 18 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.245 -1.545 25763 5542 1 18 . 1 1 23 23 ASP H H 23 8.380 8.380 9.348 -0.968 25763 5543 1 18 . 1 1 24 24 GLU N N 24 117.900 117.900 117.181 0.719 25763 5544 1 18 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.292 0.148 25763 5545 1 18 . 1 1 24 24 GLU C C 24 175.100 175.100 175.415 -0.315 25763 5546 1 18 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.175 -0.775 25763 5547 1 18 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.113 -0.013 25763 5548 1 18 . 1 1 24 24 GLU H H 24 7.300 7.300 8.040 -0.740 25763 5549 1 18 . 1 1 25 25 GLU N N 25 113.000 113.000 114.422 -1.422 25763 5550 1 18 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.947 -0.117 25763 5551 1 18 . 1 1 25 25 GLU C C 25 175.900 175.900 175.217 0.683 25763 5552 1 18 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.383 0.317 25763 5553 1 18 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.510 -1.010 25763 5554 1 18 . 1 1 25 25 GLU H H 25 8.120 8.120 8.032 0.088 25763 5555 1 18 . 1 1 26 26 GLN N N 26 117.100 117.100 118.124 -1.024 25763 5556 1 18 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.301 0.069 25763 5557 1 18 . 1 1 26 26 GLN CA C 26 54.600 54.600 54.826 -0.226 25763 5558 1 18 . 1 1 26 26 GLN CB C 26 29.400 29.400 28.710 0.689 25763 5559 1 18 . 1 1 26 26 GLN H H 26 7.770 7.770 7.345 0.425 25763 5560 1 18 . 1 1 27 27 HIS HA H 27 6.120 6.120 4.822 1.298 25763 5561 1 18 . 1 1 27 27 HIS C C 27 174.100 174.100 174.330 -0.230 25763 5562 1 18 . 1 1 27 27 HIS CA C 27 53.900 53.900 54.720 -0.820 25763 5563 1 18 . 1 1 28 28 SER N N 28 111.900 111.900 118.604 -6.704 25763 5564 1 18 . 1 1 28 28 SER C C 28 173.200 173.200 172.100 1.100 25763 5565 1 18 . 1 1 28 28 SER CA C 28 57.700 57.700 56.668 1.032 25763 5566 1 18 . 1 1 28 28 SER H H 28 8.830 8.830 8.545 0.285 25763 5567 1 18 . 1 1 29 29 LEU N N 29 126.000 126.000 117.432 8.568 25763 5568 1 18 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.818 0.492 25763 5569 1 18 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.527 1.673 25763 5570 1 18 . 1 1 29 29 LEU H H 29 8.840 8.840 8.369 0.471 25763 5571 1 18 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.299 0.771 25763 5572 1 18 . 1 1 31 31 PRO C C 31 176.300 176.300 177.768 -1.468 25763 5573 1 18 . 1 1 31 31 PRO CA C 31 62.000 62.000 63.214 -1.214 25763 5574 1 18 . 1 1 31 31 PRO CB C 31 32.000 32.000 32.165 -0.165 25763 5575 1 18 . 1 1 32 32 ALA N N 32 121.500 121.500 127.269 -5.769 25763 5576 1 18 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.283 0.577 25763 5577 1 18 . 1 1 32 32 ALA C C 32 177.600 177.600 177.864 -0.264 25763 5578 1 18 . 1 1 32 32 ALA CA C 32 53.500 53.500 54.071 -0.571 25763 5579 1 18 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.446 -0.846 25763 5580 1 18 . 1 1 32 32 ALA H H 32 7.940 7.940 8.368 -0.428 25763 5581 1 18 . 1 1 33 33 PHE N N 33 111.800 111.800 117.720 -5.920 25763 5582 1 18 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.455 0.085 25763 5583 1 18 . 1 1 33 33 PHE C C 33 174.700 174.700 175.469 -0.769 25763 5584 1 18 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.655 -1.255 25763 5585 1 18 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.709 -2.208 25763 5586 1 18 . 1 1 33 33 PHE H H 33 6.970 6.970 7.879 -0.909 25763 5587 1 18 . 1 1 34 34 ALA N N 34 125.700 125.700 122.387 3.313 25763 5588 1 18 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.122 0.508 25763 5589 1 18 . 1 1 34 34 ALA C C 34 177.700 177.700 175.938 1.762 25763 5590 1 18 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.787 -1.487 25763 5591 1 18 . 1 1 34 34 ALA CB C 34 20.200 20.200 19.442 0.759 25763 5592 1 18 . 1 1 34 34 ALA H H 34 7.080 7.080 7.595 -0.515 25763 5593 1 18 . 1 1 35 35 ASP N N 35 124.700 124.700 119.534 5.166 25763 5594 1 18 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.485 0.015 25763 5595 1 18 . 1 1 35 35 ASP C C 35 176.400 176.400 175.864 0.536 25763 5596 1 18 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.512 1.488 25763 5597 1 18 . 1 1 35 35 ASP CB C 35 40.100 40.100 42.074 -1.974 25763 5598 1 18 . 1 1 35 35 ASP H H 35 8.960 8.960 8.299 0.661 25763 5599 1 18 . 1 1 36 36 VAL N N 36 125.800 125.800 126.584 -0.784 25763 5600 1 18 . 1 1 36 36 VAL CA C 36 61.300 61.300 60.193 1.107 25763 5601 1 18 . 1 1 36 36 VAL CB C 36 32.100 32.100 31.821 0.279 25763 5602 1 18 . 1 1 36 36 VAL H H 36 8.700 8.700 8.075 0.625 25763 5603 1 18 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.299 -0.029 25763 5604 1 18 . 1 1 37 37 PRO C C 37 175.600 175.600 176.296 -0.696 25763 5605 1 18 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.866 -0.766 25763 5606 1 18 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.051 -0.651 25763 5607 1 18 . 1 1 38 38 ALA N N 38 122.800 122.800 126.437 -3.637 25763 5608 1 18 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.989 0.241 25763 5609 1 18 . 1 1 38 38 ALA C C 38 179.100 179.100 177.920 1.180 25763 5610 1 18 . 1 1 38 38 ALA CA C 38 53.200 53.200 53.450 -0.250 25763 5611 1 18 . 1 1 38 38 ALA CB C 38 18.100 18.100 18.986 -0.886 25763 5612 1 18 . 1 1 38 38 ALA H H 38 8.380 8.380 8.446 -0.066 25763 5613 1 18 . 1 1 39 39 GLY N N 39 110.000 110.000 110.684 -0.684 25763 5614 1 18 . 1 1 39 39 GLY C C 39 173.800 173.800 173.933 -0.133 25763 5615 1 18 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.282 0.318 25763 5616 1 18 . 1 1 39 39 GLY H H 39 8.880 8.880 8.263 0.617 25763 5617 1 18 . 1 1 40 40 TRP N N 40 120.300 120.300 121.015 -0.715 25763 5618 1 18 . 1 1 40 40 TRP C C 40 174.800 174.800 175.784 -0.984 25763 5619 1 18 . 1 1 40 40 TRP CA C 40 56.100 56.100 55.824 0.276 25763 5620 1 18 . 1 1 40 40 TRP CB C 40 31.600 31.600 30.258 1.342 25763 5621 1 18 . 1 1 40 40 TRP H H 40 7.810 7.810 7.066 0.744 25763 5622 1 18 . 1 1 41 41 ARG N N 41 117.800 117.800 120.838 -3.038 25763 5623 1 18 . 1 1 41 41 ARG C C 41 174.700 174.700 174.581 0.119 25763 5624 1 18 . 1 1 41 41 ARG CA C 41 54.000 54.000 53.891 0.109 25763 5625 1 18 . 1 1 41 41 ARG CB C 41 32.900 32.900 31.488 1.412 25763 5626 1 18 . 1 1 41 41 ARG H H 41 9.260 9.260 8.933 0.327 25763 5627 1 18 . 1 1 42 42 VAL N N 42 122.400 122.400 125.045 -2.645 25763 5628 1 18 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.348 -0.258 25763 5629 1 18 . 1 1 42 42 VAL C C 42 177.900 177.900 176.143 1.757 25763 5630 1 18 . 1 1 42 42 VAL CA C 42 63.300 63.300 61.316 1.984 25763 5631 1 18 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.657 -0.457 25763 5632 1 18 . 1 1 42 42 VAL H H 42 8.790 8.790 8.697 0.093 25763 5633 1 18 . 1 1 43 43 VAL N N 43 119.100 119.100 129.207 -10.107 25763 5634 1 18 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.039 0.751 25763 5635 1 18 . 1 1 43 43 VAL C C 43 174.700 174.700 176.240 -1.540 25763 5636 1 18 . 1 1 43 43 VAL CA C 43 60.600 60.600 64.182 -3.582 25763 5637 1 18 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.458 1.242 25763 5638 1 18 . 1 1 43 43 VAL H H 43 9.140 9.140 8.918 0.222 25763 5639 1 18 . 1 1 44 44 HIS N N 44 119.200 119.200 116.220 2.980 25763 5640 1 18 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.819 -0.269 25763 5641 1 18 . 1 1 44 44 HIS C C 44 173.400 173.400 173.935 -0.535 25763 5642 1 18 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.455 1.945 25763 5643 1 18 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.698 -0.998 25763 5644 1 18 . 1 1 44 44 HIS H H 44 7.720 7.720 7.847 -0.127 25763 5645 1 18 . 1 1 45 45 GLY N N 45 111.800 111.800 111.068 0.732 25763 5646 1 18 . 1 1 45 45 GLY C C 45 174.600 174.600 173.186 1.414 25763 5647 1 18 . 1 1 45 45 GLY CA C 45 42.100 42.100 43.665 -1.565 25763 5648 1 18 . 1 1 45 45 GLY H H 45 7.680 7.680 8.024 -0.344 25763 5649 1 18 . 1 1 46 46 GLU N N 46 121.400 121.400 118.055 3.345 25763 5650 1 18 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.787 0.403 25763 5651 1 18 . 1 1 46 46 GLU C C 46 175.200 175.200 174.940 0.260 25763 5652 1 18 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.613 -0.613 25763 5653 1 18 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.629 0.771 25763 5654 1 18 . 1 1 46 46 GLU H H 46 8.680 8.680 8.560 0.120 25763 5655 1 18 . 1 1 47 47 ALA N N 47 126.700 126.700 128.196 -1.496 25763 5656 1 18 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.750 0.050 25763 5657 1 18 . 1 1 47 47 ALA C C 47 174.900 174.900 176.006 -1.106 25763 5658 1 18 . 1 1 47 47 ALA CA C 47 51.000 51.000 50.648 0.352 25763 5659 1 18 . 1 1 47 47 ALA CB C 47 22.000 22.000 22.308 -0.308 25763 5660 1 18 . 1 1 47 47 ALA H H 47 9.430 9.430 8.421 1.009 25763 5661 1 18 . 1 1 48 48 ASP N N 48 117.400 117.400 118.747 -1.347 25763 5662 1 18 . 1 1 48 48 ASP C C 48 175.800 175.800 176.548 -0.748 25763 5663 1 18 . 1 1 48 48 ASP CA C 48 53.800 53.800 52.889 0.911 25763 5664 1 18 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.670 -1.770 25763 5665 1 18 . 1 1 48 48 ASP H H 48 8.560 8.560 8.533 0.027 25763 5666 1 18 . 1 1 49 49 ARG N N 49 121.500 121.500 119.523 1.977 25763 5667 1 18 . 1 1 49 49 ARG HA H 49 3.360 3.360 4.077 -0.717 25763 5668 1 18 . 1 1 49 49 ARG C C 49 179.000 179.000 178.208 0.792 25763 5669 1 18 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.331 1.569 25763 5670 1 18 . 1 1 49 49 ARG H H 49 9.310 9.310 8.714 0.596 25763 5671 1 18 . 1 1 50 50 ALA N N 50 119.000 119.000 121.375 -2.375 25763 5672 1 18 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.123 -0.053 25763 5673 1 18 . 1 1 50 50 ALA C C 50 180.500 180.500 178.943 1.557 25763 5674 1 18 . 1 1 50 50 ALA CA C 50 55.200 55.200 55.236 -0.035 25763 5675 1 18 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.783 -0.083 25763 5676 1 18 . 1 1 50 50 ALA H H 50 8.620 8.620 8.059 0.561 25763 5677 1 18 . 1 1 51 51 ALA N N 51 121.700 121.700 120.677 1.023 25763 5678 1 18 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.366 -0.036 25763 5679 1 18 . 1 1 51 51 ALA C C 51 182.300 182.300 179.499 2.801 25763 5680 1 18 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.304 0.296 25763 5681 1 18 . 1 1 51 51 ALA CB C 51 18.800 18.800 17.797 1.003 25763 5682 1 18 . 1 1 51 51 ALA H H 51 8.340 8.340 8.113 0.227 25763 5683 1 18 . 1 1 52 52 CYS N N 52 117.900 117.900 119.531 -1.631 25763 5684 1 18 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.375 -0.235 25763 5685 1 18 . 1 1 52 52 CYS C C 52 176.800 176.800 176.826 -0.026 25763 5686 1 18 . 1 1 52 52 CYS CA C 52 64.500 64.500 61.745 2.755 25763 5687 1 18 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.935 0.165 25763 5688 1 18 . 1 1 52 52 CYS H H 52 8.300 8.300 8.098 0.202 25763 5689 1 18 . 1 1 53 53 LEU N N 53 120.600 120.600 118.988 1.612 25763 5690 1 18 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.897 0.273 25763 5691 1 18 . 1 1 53 53 LEU C C 53 179.900 179.900 179.335 0.565 25763 5692 1 18 . 1 1 53 53 LEU CA C 53 58.100 58.100 58.070 0.030 25763 5693 1 18 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.547 -1.046 25763 5694 1 18 . 1 1 53 53 LEU H H 53 8.780 8.780 8.189 0.591 25763 5695 1 18 . 1 1 54 54 GLU N N 54 120.600 120.600 119.135 1.465 25763 5696 1 18 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.019 0.101 25763 5697 1 18 . 1 1 54 54 GLU C C 54 178.300 178.300 178.995 -0.695 25763 5698 1 18 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.755 -0.455 25763 5699 1 18 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.613 -0.213 25763 5700 1 18 . 1 1 54 54 GLU H H 54 8.350 8.350 7.835 0.515 25763 5701 1 18 . 1 1 55 55 TYR N N 55 120.800 120.800 121.266 -0.466 25763 5702 1 18 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.480 -0.330 25763 5703 1 18 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.013 0.687 25763 5704 1 18 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.607 -1.007 25763 5705 1 18 . 1 1 55 55 TYR H H 55 7.890 7.890 8.385 -0.495 25763 5706 1 18 . 1 1 56 56 ILE C C 56 176.700 176.700 177.960 -1.260 25763 5707 1 18 . 1 1 56 56 ILE CB C 56 38.200 38.200 38.030 0.170 25763 5708 1 18 . 1 1 57 57 GLU N N 57 119.400 119.400 119.732 -0.332 25763 5709 1 18 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.202 -0.172 25763 5710 1 18 . 1 1 57 57 GLU C C 57 177.700 177.700 178.273 -0.573 25763 5711 1 18 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.537 -0.037 25763 5712 1 18 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.665 -0.765 25763 5713 1 18 . 1 1 57 57 GLU H H 57 8.290 8.290 7.763 0.527 25763 5714 1 18 . 1 1 58 58 GLU N N 58 115.000 115.000 116.922 -1.922 25763 5715 1 18 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.160 -0.280 25763 5716 1 18 . 1 1 58 58 GLU C C 58 177.600 177.600 176.916 0.684 25763 5717 1 18 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.361 0.339 25763 5718 1 18 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.313 -0.913 25763 5719 1 18 . 1 1 58 58 GLU H H 58 7.780 7.780 8.186 -0.406 25763 5720 1 18 . 1 1 59 59 HIS N N 59 113.700 113.700 118.888 -5.188 25763 5721 1 18 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.737 1.663 25763 5722 1 18 . 1 1 59 59 HIS CB C 59 28.000 28.000 27.894 0.106 25763 5723 1 18 . 1 1 59 59 HIS H H 59 7.420 7.420 8.064 -0.644 25763 5724 1 18 . 1 1 63 63 ILE CB C 63 38.600 38.600 37.250 1.350 25763 5725 1 18 . 1 1 68 68 LEU CA C 68 55.700 55.700 54.552 1.148 25763 5726 1 18 . 1 1 68 68 LEU CB C 68 42.100 42.100 40.799 1.301 25763 5727 1 18 . 1 1 69 69 ARG N N 69 121.100 121.100 120.494 0.606 25763 5728 1 18 . 1 1 69 69 ARG H H 69 8.550 8.550 8.621 -0.071 25763 5729 1 18 . 1 1 70 70 ASP C C 70 176.000 176.000 175.895 0.105 25763 5730 1 18 . 1 1 70 70 ASP CA C 70 55.600 55.600 52.149 3.451 25763 5731 1 18 . 1 1 70 70 ASP CB C 70 41.000 41.000 42.935 -1.935 25763 5732 1 18 . 1 1 71 71 LYS N N 71 121.200 121.200 120.229 0.971 25763 5733 1 18 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.470 -0.250 25763 5734 1 18 . 1 1 71 71 LYS C C 71 177.500 177.500 175.170 2.330 25763 5735 1 18 . 1 1 71 71 LYS CA C 71 57.100 57.100 56.337 0.763 25763 5736 1 18 . 1 1 71 71 LYS CB C 71 32.600 32.600 31.919 0.681 25763 5737 1 18 . 1 1 71 71 LYS H H 71 8.260 8.260 8.589 -0.329 25763 5738 1 18 . 1 1 72 72 LEU N N 72 121.600 121.600 120.144 1.456 25763 5739 1 18 . 1 1 72 72 LEU CA C 72 55.300 55.300 55.511 -0.211 25763 5740 1 18 . 1 1 72 72 LEU CB C 72 42.100 42.100 44.532 -2.432 25763 5741 1 18 . 1 1 72 72 LEU H H 72 8.330 8.330 8.584 -0.254 25763 5742 1 18 . 1 1 73 73 ALA N N 73 123.900 123.900 124.587 -0.687 25763 5743 1 18 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.373 0.037 25763 5744 1 18 . 1 1 73 73 ALA C C 73 177.900 177.900 177.303 0.597 25763 5745 1 18 . 1 1 73 73 ALA CA C 73 52.500 52.500 52.383 0.117 25763 5746 1 18 . 1 1 73 73 ALA CB C 73 18.800 18.800 17.994 0.806 25763 5747 1 18 . 1 1 73 73 ALA H H 73 8.250 8.250 8.192 0.058 25763 5748 1 18 . 1 1 74 74 THR N N 74 112.000 112.000 116.467 -4.467 25763 5749 1 18 . 1 1 74 74 THR HA H 74 4.400 4.400 4.368 0.032 25763 5750 1 18 . 1 1 74 74 THR C C 74 175.200 175.200 174.641 0.559 25763 5751 1 18 . 1 1 74 74 THR CA C 74 61.700 61.700 62.272 -0.571 25763 5752 1 18 . 1 1 74 74 THR CB C 74 69.700 69.700 68.471 1.229 25763 5753 1 18 . 1 1 74 74 THR H H 74 8.160 8.160 7.967 0.193 25763 5754 1 18 . 1 1 75 75 GLY N N 75 110.600 110.600 113.088 -2.488 25763 5755 1 18 . 1 1 75 75 GLY C C 75 174.100 174.100 173.045 1.055 25763 5756 1 18 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.076 0.324 25763 5757 1 18 . 1 1 75 75 GLY H H 75 8.540 8.540 7.974 0.566 25763 5758 1 18 . 1 1 76 76 ARG N N 76 120.100 120.100 121.338 -1.238 25763 5759 1 18 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.388 -0.018 25763 5760 1 18 . 1 1 76 76 ARG C C 76 176.600 176.600 176.349 0.251 25763 5761 1 18 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.875 0.125 25763 5762 1 18 . 1 1 76 76 ARG CB C 76 30.400 30.400 29.568 0.832 25763 5763 1 18 . 1 1 76 76 ARG H H 76 8.340 8.340 8.504 -0.164 25763 5764 1 18 . 1 1 77 77 GLY N N 77 109.400 109.400 113.257 -3.857 25763 5765 1 18 . 1 1 77 77 GLY C C 77 173.800 173.800 175.430 -1.630 25763 5766 1 18 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.660 -0.760 25763 5767 1 18 . 1 1 77 77 GLY H H 77 8.560 8.560 8.667 -0.107 25763 5768 1 18 . 1 1 78 78 PHE N N 78 119.200 119.200 118.908 0.292 25763 5769 1 18 . 1 1 78 78 PHE C C 78 175.500 175.500 174.441 1.059 25763 5770 1 18 . 1 1 78 78 PHE CA C 78 57.800 57.800 58.877 -1.077 25763 5771 1 18 . 1 1 78 78 PHE CB C 78 39.300 39.300 38.267 1.033 25763 5772 1 18 . 1 1 78 78 PHE H H 78 8.270 8.270 8.440 -0.170 25763 5773 1 18 . 1 1 79 79 ASP N N 79 121.400 121.400 121.962 -0.562 25763 5774 1 18 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.570 0.060 25763 5775 1 18 . 1 1 79 79 ASP C C 79 175.000 175.000 175.615 -0.615 25763 5776 1 18 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.460 -0.160 25763 5777 1 18 . 1 1 79 79 ASP CB C 79 40.700 40.700 40.364 0.336 25763 5778 1 18 . 1 1 79 79 ASP H H 79 8.540 8.540 8.057 0.483 25763 5779 1 19 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.566 -9.066 25763 5780 1 19 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.400 -0.200 25763 5781 1 19 . 1 1 3 3 GLY N N 3 109.800 109.800 107.940 1.860 25763 5782 1 19 . 1 1 3 3 GLY C C 3 174.100 174.100 174.947 -0.847 25763 5783 1 19 . 1 1 3 3 GLY CA C 3 45.100 45.100 45.542 -0.442 25763 5784 1 19 . 1 1 3 3 GLY H H 3 8.800 8.800 8.748 0.052 25763 5785 1 19 . 1 1 4 4 SER N N 4 115.200 115.200 120.415 -5.215 25763 5786 1 19 . 1 1 4 4 SER HA H 4 4.510 4.510 4.303 0.207 25763 5787 1 19 . 1 1 4 4 SER C C 4 174.400 174.400 174.378 0.022 25763 5788 1 19 . 1 1 4 4 SER CA C 4 58.200 58.200 58.463 -0.263 25763 5789 1 19 . 1 1 4 4 SER CB C 4 63.500 63.500 63.281 0.219 25763 5790 1 19 . 1 1 4 4 SER H H 4 8.280 8.280 8.027 0.253 25763 5791 1 19 . 1 1 5 5 MET HA H 5 4.200 4.200 4.187 0.013 25763 5792 1 19 . 1 1 5 5 MET C C 5 175.800 175.800 174.862 0.938 25763 5793 1 19 . 1 1 5 5 MET CA C 5 61.900 61.900 57.158 4.742 25763 5794 1 19 . 1 1 5 5 MET CB C 5 32.900 32.900 33.285 -0.385 25763 5795 1 19 . 1 1 6 6 SER N N 6 119.700 119.700 111.264 8.436 25763 5796 1 19 . 1 1 6 6 SER HA H 6 4.550 4.550 4.622 -0.072 25763 5797 1 19 . 1 1 6 6 SER C C 6 174.100 174.100 173.237 0.863 25763 5798 1 19 . 1 1 6 6 SER CA C 6 57.700 57.700 57.399 0.301 25763 5799 1 19 . 1 1 6 6 SER CB C 6 63.500 63.500 64.780 -1.280 25763 5800 1 19 . 1 1 6 6 SER H H 6 8.530 8.530 7.895 0.635 25763 5801 1 19 . 1 1 7 7 ILE N N 7 122.400 122.400 124.536 -2.136 25763 5802 1 19 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.087 0.153 25763 5803 1 19 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.860 -1.360 25763 5804 1 19 . 1 1 7 7 ILE CB C 7 38.800 38.800 36.922 1.878 25763 5805 1 19 . 1 1 7 7 ILE H H 7 8.360 8.360 8.625 -0.265 25763 5806 1 19 . 1 1 8 8 ASN N N 8 123.600 123.600 127.610 -4.010 25763 5807 1 19 . 1 1 8 8 ASN CA C 8 51.000 51.000 51.064 -0.064 25763 5808 1 19 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.959 -1.159 25763 5809 1 19 . 1 1 8 8 ASN H H 8 8.700 8.700 8.202 0.498 25763 5810 1 19 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.600 0.020 25763 5811 1 19 . 1 1 13 13 ASP C C 13 176.800 176.800 177.312 -0.512 25763 5812 1 19 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.558 -0.858 25763 5813 1 19 . 1 1 13 13 ASP CB C 13 40.900 40.900 42.206 -1.306 25763 5814 1 19 . 1 1 14 14 ASN N N 14 117.700 117.700 116.812 0.888 25763 5815 1 19 . 1 1 14 14 ASN C C 14 175.600 175.600 175.941 -0.341 25763 5816 1 19 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.761 -0.461 25763 5817 1 19 . 1 1 14 14 ASN CB C 14 39.100 39.100 39.566 -0.466 25763 5818 1 19 . 1 1 14 14 ASN H H 14 8.720 8.720 8.631 0.089 25763 5819 1 19 . 1 1 15 15 GLY N N 15 107.500 107.500 106.033 1.467 25763 5820 1 19 . 1 1 15 15 GLY C C 15 172.600 172.600 174.174 -1.574 25763 5821 1 19 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.129 0.971 25763 5822 1 19 . 1 1 15 15 GLY H H 15 8.160 8.160 8.254 -0.094 25763 5823 1 19 . 1 1 16 16 SER N N 16 114.000 114.000 117.948 -3.948 25763 5824 1 19 . 1 1 16 16 SER HA H 16 4.710 4.710 4.361 0.349 25763 5825 1 19 . 1 1 16 16 SER C C 16 174.100 174.100 173.081 1.019 25763 5826 1 19 . 1 1 16 16 SER CA C 16 57.300 57.300 59.058 -1.758 25763 5827 1 19 . 1 1 16 16 SER CB C 16 64.200 64.200 61.967 2.233 25763 5828 1 19 . 1 1 16 16 SER H H 16 7.780 7.780 8.286 -0.506 25763 5829 1 19 . 1 1 17 17 PHE N N 17 123.000 123.000 116.366 6.634 25763 5830 1 19 . 1 1 17 17 PHE CA C 17 57.700 57.700 57.097 0.603 25763 5831 1 19 . 1 1 17 17 PHE CB C 17 46.000 46.000 41.059 4.941 25763 5832 1 19 . 1 1 17 17 PHE H H 17 9.570 9.570 7.536 2.034 25763 5833 1 19 . 1 1 18 18 PHE N N 18 114.900 114.900 117.988 -3.088 25763 5834 1 19 . 1 1 18 18 PHE HA H 18 5.760 5.760 5.095 0.665 25763 5835 1 19 . 1 1 18 18 PHE C C 18 177.000 177.000 172.773 4.227 25763 5836 1 19 . 1 1 18 18 PHE CA C 18 55.400 55.400 56.217 -0.817 25763 5837 1 19 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.956 2.244 25763 5838 1 19 . 1 1 18 18 PHE H H 18 9.680 9.680 7.751 1.929 25763 5839 1 19 . 1 1 19 19 VAL N N 19 117.000 117.000 122.081 -5.081 25763 5840 1 19 . 1 1 19 19 VAL C C 19 175.000 175.000 173.909 1.091 25763 5841 1 19 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.850 0.550 25763 5842 1 19 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.292 -2.292 25763 5843 1 19 . 1 1 19 19 VAL H H 19 8.720 8.720 8.991 -0.271 25763 5844 1 19 . 1 1 20 20 LEU N N 20 126.400 126.400 128.692 -2.292 25763 5845 1 19 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.620 1.250 25763 5846 1 19 . 1 1 20 20 LEU C C 20 176.800 176.800 174.745 2.055 25763 5847 1 19 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.652 -1.652 25763 5848 1 19 . 1 1 20 20 LEU H H 20 9.490 9.490 9.158 0.332 25763 5849 1 19 . 1 1 21 21 VAL N N 21 114.200 114.200 125.274 -11.074 25763 5850 1 19 . 1 1 21 21 VAL HA H 21 5.740 5.740 4.722 1.018 25763 5851 1 19 . 1 1 21 21 VAL C C 21 174.600 174.600 174.482 0.118 25763 5852 1 19 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.783 -1.683 25763 5853 1 19 . 1 1 21 21 VAL H H 21 9.210 9.210 8.952 0.258 25763 5854 1 19 . 1 1 22 22 ASN N N 22 121.000 121.000 125.941 -4.941 25763 5855 1 19 . 1 1 22 22 ASN C C 22 177.500 177.500 175.909 1.591 25763 5856 1 19 . 1 1 22 22 ASN CA C 22 49.600 49.600 53.196 -3.596 25763 5857 1 19 . 1 1 22 22 ASN H H 22 7.390 7.390 8.972 -1.582 25763 5858 1 19 . 1 1 23 23 ASP N N 23 117.600 117.600 123.345 -5.745 25763 5859 1 19 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.274 0.226 25763 5860 1 19 . 1 1 23 23 ASP C C 23 176.500 176.500 176.858 -0.358 25763 5861 1 19 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.593 -0.493 25763 5862 1 19 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.993 -1.293 25763 5863 1 19 . 1 1 23 23 ASP H H 23 8.380 8.380 8.333 0.047 25763 5864 1 19 . 1 1 24 24 GLU N N 24 117.900 117.900 118.344 -0.444 25763 5865 1 19 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.143 0.297 25763 5866 1 19 . 1 1 24 24 GLU C C 24 175.100 175.100 176.178 -1.078 25763 5867 1 19 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.964 -1.564 25763 5868 1 19 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.410 -0.310 25763 5869 1 19 . 1 1 24 24 GLU H H 24 7.300 7.300 8.206 -0.906 25763 5870 1 19 . 1 1 25 25 GLU N N 25 113.000 113.000 113.783 -0.783 25763 5871 1 19 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.949 -0.119 25763 5872 1 19 . 1 1 25 25 GLU C C 25 175.900 175.900 175.095 0.805 25763 5873 1 19 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.477 0.223 25763 5874 1 19 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.488 -0.988 25763 5875 1 19 . 1 1 25 25 GLU H H 25 8.120 8.120 8.195 -0.075 25763 5876 1 19 . 1 1 26 26 GLN N N 26 117.100 117.100 118.832 -1.732 25763 5877 1 19 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.662 -0.292 25763 5878 1 19 . 1 1 26 26 GLN CA C 26 54.600 54.600 55.708 -1.108 25763 5879 1 19 . 1 1 26 26 GLN CB C 26 29.400 29.400 30.832 -1.433 25763 5880 1 19 . 1 1 26 26 GLN H H 26 7.770 7.770 8.021 -0.251 25763 5881 1 19 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.720 0.400 25763 5882 1 19 . 1 1 27 27 HIS C C 27 174.100 174.100 174.001 0.099 25763 5883 1 19 . 1 1 27 27 HIS CA C 27 53.900 53.900 54.667 -0.767 25763 5884 1 19 . 1 1 28 28 SER N N 28 111.900 111.900 115.736 -3.836 25763 5885 1 19 . 1 1 28 28 SER C C 28 173.200 173.200 172.109 1.091 25763 5886 1 19 . 1 1 28 28 SER CA C 28 57.700 57.700 57.184 0.516 25763 5887 1 19 . 1 1 28 28 SER H H 28 8.830 8.830 9.325 -0.495 25763 5888 1 19 . 1 1 29 29 LEU N N 29 126.000 126.000 118.410 7.590 25763 5889 1 19 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.495 0.815 25763 5890 1 19 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.829 1.371 25763 5891 1 19 . 1 1 29 29 LEU H H 29 8.840 8.840 8.264 0.576 25763 5892 1 19 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.364 0.706 25763 5893 1 19 . 1 1 31 31 PRO C C 31 176.300 176.300 176.646 -0.346 25763 5894 1 19 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.603 -0.603 25763 5895 1 19 . 1 1 31 31 PRO CB C 31 32.000 32.000 31.625 0.375 25763 5896 1 19 . 1 1 32 32 ALA N N 32 121.500 121.500 127.757 -6.257 25763 5897 1 19 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.301 0.559 25763 5898 1 19 . 1 1 32 32 ALA C C 32 177.600 177.600 177.573 0.027 25763 5899 1 19 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.685 -0.185 25763 5900 1 19 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.390 -0.789 25763 5901 1 19 . 1 1 32 32 ALA H H 32 7.940 7.940 8.251 -0.311 25763 5902 1 19 . 1 1 33 33 PHE N N 33 111.800 111.800 117.198 -5.398 25763 5903 1 19 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.361 0.179 25763 5904 1 19 . 1 1 33 33 PHE C C 33 174.700 174.700 174.927 -0.227 25763 5905 1 19 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.932 -1.532 25763 5906 1 19 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.583 -2.083 25763 5907 1 19 . 1 1 33 33 PHE H H 33 6.970 6.970 7.771 -0.801 25763 5908 1 19 . 1 1 34 34 ALA N N 34 125.700 125.700 122.568 3.132 25763 5909 1 19 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.298 0.332 25763 5910 1 19 . 1 1 34 34 ALA C C 34 177.700 177.700 176.108 1.592 25763 5911 1 19 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.615 -1.315 25763 5912 1 19 . 1 1 34 34 ALA CB C 34 20.200 20.200 20.083 0.117 25763 5913 1 19 . 1 1 34 34 ALA H H 34 7.080 7.080 7.387 -0.307 25763 5914 1 19 . 1 1 35 35 ASP N N 35 124.700 124.700 120.374 4.326 25763 5915 1 19 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.700 -0.200 25763 5916 1 19 . 1 1 35 35 ASP C C 35 176.400 176.400 175.860 0.540 25763 5917 1 19 . 1 1 35 35 ASP CA C 35 55.000 55.000 53.589 1.411 25763 5918 1 19 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.602 -1.502 25763 5919 1 19 . 1 1 35 35 ASP H H 35 8.960 8.960 8.400 0.560 25763 5920 1 19 . 1 1 36 36 VAL N N 36 125.800 125.800 127.051 -1.251 25763 5921 1 19 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.553 1.747 25763 5922 1 19 . 1 1 36 36 VAL CB C 36 32.100 32.100 32.786 -0.687 25763 5923 1 19 . 1 1 36 36 VAL H H 36 8.700 8.700 8.388 0.312 25763 5924 1 19 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.649 -0.379 25763 5925 1 19 . 1 1 37 37 PRO C C 37 175.600 175.600 176.333 -0.733 25763 5926 1 19 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.353 -0.253 25763 5927 1 19 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.568 -1.168 25763 5928 1 19 . 1 1 38 38 ALA N N 38 122.800 122.800 122.109 0.691 25763 5929 1 19 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.109 0.121 25763 5930 1 19 . 1 1 38 38 ALA C C 38 179.100 179.100 178.301 0.799 25763 5931 1 19 . 1 1 38 38 ALA CA C 38 53.200 53.200 53.220 -0.020 25763 5932 1 19 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.134 -1.034 25763 5933 1 19 . 1 1 38 38 ALA H H 38 8.380 8.380 8.150 0.230 25763 5934 1 19 . 1 1 39 39 GLY N N 39 110.000 110.000 108.393 1.607 25763 5935 1 19 . 1 1 39 39 GLY C C 39 173.800 173.800 173.489 0.311 25763 5936 1 19 . 1 1 39 39 GLY CA C 39 44.600 44.600 45.021 -0.421 25763 5937 1 19 . 1 1 39 39 GLY H H 39 8.880 8.880 8.195 0.685 25763 5938 1 19 . 1 1 40 40 TRP N N 40 120.300 120.300 122.505 -2.205 25763 5939 1 19 . 1 1 40 40 TRP C C 40 174.800 174.800 175.724 -0.924 25763 5940 1 19 . 1 1 40 40 TRP CA C 40 56.100 56.100 55.790 0.310 25763 5941 1 19 . 1 1 40 40 TRP CB C 40 31.600 31.600 28.956 2.644 25763 5942 1 19 . 1 1 40 40 TRP H H 40 7.810 7.810 7.232 0.578 25763 5943 1 19 . 1 1 41 41 ARG N N 41 117.800 117.800 123.024 -5.224 25763 5944 1 19 . 1 1 41 41 ARG C C 41 174.700 174.700 175.123 -0.423 25763 5945 1 19 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.677 -0.677 25763 5946 1 19 . 1 1 41 41 ARG CB C 41 32.900 32.900 32.603 0.297 25763 5947 1 19 . 1 1 41 41 ARG H H 41 9.260 9.260 8.932 0.328 25763 5948 1 19 . 1 1 42 42 VAL N N 42 122.400 122.400 124.698 -2.298 25763 5949 1 19 . 1 1 42 42 VAL HA H 42 4.090 4.090 3.940 0.150 25763 5950 1 19 . 1 1 42 42 VAL C C 42 177.900 177.900 174.862 3.038 25763 5951 1 19 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.516 0.784 25763 5952 1 19 . 1 1 42 42 VAL CB C 42 32.200 32.200 31.716 0.484 25763 5953 1 19 . 1 1 42 42 VAL H H 42 8.790 8.790 8.511 0.279 25763 5954 1 19 . 1 1 43 43 VAL N N 43 119.100 119.100 127.696 -8.596 25763 5955 1 19 . 1 1 43 43 VAL HA H 43 4.790 4.790 3.968 0.822 25763 5956 1 19 . 1 1 43 43 VAL C C 43 174.700 174.700 175.311 -0.611 25763 5957 1 19 . 1 1 43 43 VAL CA C 43 60.600 60.600 62.329 -1.729 25763 5958 1 19 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.283 1.417 25763 5959 1 19 . 1 1 43 43 VAL H H 43 9.140 9.140 8.609 0.531 25763 5960 1 19 . 1 1 44 44 HIS N N 44 119.200 119.200 119.108 0.092 25763 5961 1 19 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.547 0.003 25763 5962 1 19 . 1 1 44 44 HIS C C 44 173.400 173.400 174.787 -1.387 25763 5963 1 19 . 1 1 44 44 HIS CA C 44 57.400 57.400 53.883 3.517 25763 5964 1 19 . 1 1 44 44 HIS CB C 44 32.700 32.700 31.603 1.097 25763 5965 1 19 . 1 1 44 44 HIS H H 44 7.720 7.720 7.720 0.000 25763 5966 1 19 . 1 1 45 45 GLY N N 45 111.800 111.800 111.697 0.103 25763 5967 1 19 . 1 1 45 45 GLY C C 45 174.600 174.600 173.902 0.698 25763 5968 1 19 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.904 -2.804 25763 5969 1 19 . 1 1 45 45 GLY H H 45 7.680 7.680 8.742 -1.062 25763 5970 1 19 . 1 1 46 46 GLU N N 46 121.400 121.400 119.315 2.085 25763 5971 1 19 . 1 1 46 46 GLU HA H 46 4.190 4.190 4.259 -0.069 25763 5972 1 19 . 1 1 46 46 GLU C C 46 175.200 175.200 175.906 -0.706 25763 5973 1 19 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.874 -0.875 25763 5974 1 19 . 1 1 46 46 GLU CB C 46 30.400 30.400 30.160 0.240 25763 5975 1 19 . 1 1 46 46 GLU H H 46 8.680 8.680 8.803 -0.123 25763 5976 1 19 . 1 1 47 47 ALA N N 47 126.700 126.700 128.076 -1.376 25763 5977 1 19 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.536 0.264 25763 5978 1 19 . 1 1 47 47 ALA C C 47 174.900 174.900 176.059 -1.159 25763 5979 1 19 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.056 -0.056 25763 5980 1 19 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.047 0.953 25763 5981 1 19 . 1 1 47 47 ALA H H 47 9.430 9.430 8.211 1.219 25763 5982 1 19 . 1 1 48 48 ASP N N 48 117.400 117.400 119.876 -2.476 25763 5983 1 19 . 1 1 48 48 ASP C C 48 175.800 175.800 177.198 -1.398 25763 5984 1 19 . 1 1 48 48 ASP CA C 48 53.800 53.800 54.550 -0.750 25763 5985 1 19 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.530 -0.630 25763 5986 1 19 . 1 1 48 48 ASP H H 48 8.560 8.560 8.404 0.156 25763 5987 1 19 . 1 1 49 49 ARG N N 49 121.500 121.500 122.029 -0.529 25763 5988 1 19 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.791 -0.431 25763 5989 1 19 . 1 1 49 49 ARG C C 49 179.000 179.000 178.217 0.783 25763 5990 1 19 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.714 1.186 25763 5991 1 19 . 1 1 49 49 ARG H H 49 9.310 9.310 8.645 0.665 25763 5992 1 19 . 1 1 50 50 ALA N N 50 119.000 119.000 119.894 -0.894 25763 5993 1 19 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.061 0.009 25763 5994 1 19 . 1 1 50 50 ALA C C 50 180.500 180.500 179.088 1.412 25763 5995 1 19 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.682 0.518 25763 5996 1 19 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.957 -0.257 25763 5997 1 19 . 1 1 50 50 ALA H H 50 8.620 8.620 8.420 0.200 25763 5998 1 19 . 1 1 51 51 ALA N N 51 121.700 121.700 121.869 -0.169 25763 5999 1 19 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.136 0.194 25763 6000 1 19 . 1 1 51 51 ALA C C 51 182.300 182.300 179.680 2.620 25763 6001 1 19 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.760 -0.160 25763 6002 1 19 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.198 0.602 25763 6003 1 19 . 1 1 51 51 ALA H H 51 8.340 8.340 7.347 0.993 25763 6004 1 19 . 1 1 52 52 CYS N N 52 117.900 117.900 116.370 1.530 25763 6005 1 19 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.596 -0.456 25763 6006 1 19 . 1 1 52 52 CYS C C 52 176.800 176.800 176.832 -0.032 25763 6007 1 19 . 1 1 52 52 CYS CA C 52 64.500 64.500 61.063 3.437 25763 6008 1 19 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.867 0.233 25763 6009 1 19 . 1 1 52 52 CYS H H 52 8.300 8.300 8.090 0.210 25763 6010 1 19 . 1 1 53 53 LEU N N 53 120.600 120.600 121.732 -1.132 25763 6011 1 19 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.954 0.216 25763 6012 1 19 . 1 1 53 53 LEU C C 53 179.900 179.900 179.431 0.469 25763 6013 1 19 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.810 0.290 25763 6014 1 19 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.568 -1.068 25763 6015 1 19 . 1 1 53 53 LEU H H 53 8.780 8.780 8.276 0.504 25763 6016 1 19 . 1 1 54 54 GLU N N 54 120.600 120.600 118.123 2.477 25763 6017 1 19 . 1 1 54 54 GLU HA H 54 4.120 4.120 4.045 0.075 25763 6018 1 19 . 1 1 54 54 GLU C C 54 178.300 178.300 178.278 0.022 25763 6019 1 19 . 1 1 54 54 GLU CA C 54 59.300 59.300 58.641 0.659 25763 6020 1 19 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.308 0.092 25763 6021 1 19 . 1 1 54 54 GLU H H 54 8.350 8.350 8.294 0.056 25763 6022 1 19 . 1 1 55 55 TYR N N 55 120.800 120.800 122.710 -1.910 25763 6023 1 19 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.470 -0.320 25763 6024 1 19 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.091 0.609 25763 6025 1 19 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.278 -0.678 25763 6026 1 19 . 1 1 55 55 TYR H H 55 7.890 7.890 8.031 -0.141 25763 6027 1 19 . 1 1 56 56 ILE C C 56 176.700 176.700 176.919 -0.219 25763 6028 1 19 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.827 0.373 25763 6029 1 19 . 1 1 57 57 GLU N N 57 119.400 119.400 119.308 0.092 25763 6030 1 19 . 1 1 57 57 GLU HA H 57 4.030 4.030 3.931 0.099 25763 6031 1 19 . 1 1 57 57 GLU C C 57 177.700 177.700 177.980 -0.280 25763 6032 1 19 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.690 -0.190 25763 6033 1 19 . 1 1 57 57 GLU CB C 57 28.900 28.900 30.016 -1.116 25763 6034 1 19 . 1 1 57 57 GLU H H 57 8.290 8.290 7.708 0.582 25763 6035 1 19 . 1 1 58 58 GLU N N 58 115.000 115.000 115.916 -0.916 25763 6036 1 19 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.198 -0.318 25763 6037 1 19 . 1 1 58 58 GLU C C 58 177.600 177.600 177.456 0.144 25763 6038 1 19 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.778 -0.078 25763 6039 1 19 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.697 -1.297 25763 6040 1 19 . 1 1 58 58 GLU H H 58 7.780 7.780 8.024 -0.244 25763 6041 1 19 . 1 1 59 59 HIS N N 59 113.700 113.700 113.500 0.200 25763 6042 1 19 . 1 1 59 59 HIS CA C 59 58.400 58.400 58.129 0.271 25763 6043 1 19 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.358 -0.358 25763 6044 1 19 . 1 1 59 59 HIS H H 59 7.420 7.420 8.639 -1.219 25763 6045 1 19 . 1 1 63 63 ILE CB C 63 38.600 38.600 37.895 0.705 25763 6046 1 19 . 1 1 68 68 LEU CA C 68 55.700 55.700 55.144 0.556 25763 6047 1 19 . 1 1 68 68 LEU CB C 68 42.100 42.100 41.427 0.673 25763 6048 1 19 . 1 1 69 69 ARG N N 69 121.100 121.100 128.045 -6.945 25763 6049 1 19 . 1 1 69 69 ARG H H 69 8.550 8.550 8.089 0.461 25763 6050 1 19 . 1 1 70 70 ASP C C 70 176.000 176.000 175.423 0.577 25763 6051 1 19 . 1 1 70 70 ASP CA C 70 55.600 55.600 53.366 2.234 25763 6052 1 19 . 1 1 70 70 ASP CB C 70 41.000 41.000 42.632 -1.632 25763 6053 1 19 . 1 1 71 71 LYS N N 71 121.200 121.200 121.846 -0.646 25763 6054 1 19 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.493 -0.273 25763 6055 1 19 . 1 1 71 71 LYS C C 71 177.500 177.500 175.756 1.744 25763 6056 1 19 . 1 1 71 71 LYS CA C 71 57.100 57.100 55.794 1.306 25763 6057 1 19 . 1 1 71 71 LYS CB C 71 32.600 32.600 33.393 -0.793 25763 6058 1 19 . 1 1 71 71 LYS H H 71 8.260 8.260 8.543 -0.283 25763 6059 1 19 . 1 1 72 72 LEU N N 72 121.600 121.600 121.625 -0.025 25763 6060 1 19 . 1 1 72 72 LEU CA C 72 55.300 55.300 54.627 0.673 25763 6061 1 19 . 1 1 72 72 LEU CB C 72 42.100 42.100 42.775 -0.675 25763 6062 1 19 . 1 1 72 72 LEU H H 72 8.330 8.330 7.501 0.829 25763 6063 1 19 . 1 1 73 73 ALA N N 73 123.900 123.900 127.425 -3.525 25763 6064 1 19 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.575 -0.165 25763 6065 1 19 . 1 1 73 73 ALA C C 73 177.900 177.900 178.166 -0.266 25763 6066 1 19 . 1 1 73 73 ALA CA C 73 52.500 52.500 52.045 0.455 25763 6067 1 19 . 1 1 73 73 ALA CB C 73 18.800 18.800 17.829 0.971 25763 6068 1 19 . 1 1 73 73 ALA H H 73 8.250 8.250 8.351 -0.101 25763 6069 1 19 . 1 1 74 74 THR N N 74 112.000 112.000 114.483 -2.483 25763 6070 1 19 . 1 1 74 74 THR HA H 74 4.400 4.400 4.147 0.253 25763 6071 1 19 . 1 1 74 74 THR C C 74 175.200 175.200 175.699 -0.499 25763 6072 1 19 . 1 1 74 74 THR CA C 74 61.700 61.700 62.545 -0.845 25763 6073 1 19 . 1 1 74 74 THR CB C 74 69.700 69.700 69.359 0.341 25763 6074 1 19 . 1 1 74 74 THR H H 74 8.160 8.160 7.933 0.227 25763 6075 1 19 . 1 1 75 75 GLY N N 75 110.600 110.600 111.050 -0.450 25763 6076 1 19 . 1 1 75 75 GLY C C 75 174.100 174.100 173.914 0.186 25763 6077 1 19 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.596 -0.196 25763 6078 1 19 . 1 1 75 75 GLY H H 75 8.540 8.540 8.269 0.271 25763 6079 1 19 . 1 1 76 76 ARG N N 76 120.100 120.100 123.095 -2.995 25763 6080 1 19 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.537 -0.167 25763 6081 1 19 . 1 1 76 76 ARG C C 76 176.600 176.600 176.104 0.496 25763 6082 1 19 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.532 0.468 25763 6083 1 19 . 1 1 76 76 ARG CB C 76 30.400 30.400 30.527 -0.127 25763 6084 1 19 . 1 1 76 76 ARG H H 76 8.340 8.340 8.899 -0.559 25763 6085 1 19 . 1 1 77 77 GLY N N 77 109.400 109.400 109.962 -0.562 25763 6086 1 19 . 1 1 77 77 GLY C C 77 173.800 173.800 173.931 -0.131 25763 6087 1 19 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.959 -0.059 25763 6088 1 19 . 1 1 77 77 GLY H H 77 8.560 8.560 8.440 0.120 25763 6089 1 19 . 1 1 78 78 PHE N N 78 119.200 119.200 118.475 0.725 25763 6090 1 19 . 1 1 78 78 PHE C C 78 175.500 175.500 175.526 -0.026 25763 6091 1 19 . 1 1 78 78 PHE CA C 78 57.800 57.800 55.994 1.806 25763 6092 1 19 . 1 1 78 78 PHE CB C 78 39.300 39.300 39.472 -0.172 25763 6093 1 19 . 1 1 78 78 PHE H H 78 8.270 8.270 7.659 0.611 25763 6094 1 19 . 1 1 79 79 ASP N N 79 121.400 121.400 121.191 0.209 25763 6095 1 19 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.444 0.186 25763 6096 1 19 . 1 1 79 79 ASP C C 79 175.000 175.000 176.639 -1.639 25763 6097 1 19 . 1 1 79 79 ASP CA C 79 54.300 54.300 55.573 -1.273 25763 6098 1 19 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.602 -0.902 25763 6099 1 19 . 1 1 79 79 ASP H H 79 8.540 8.540 8.756 -0.216 25763 6100 1 20 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.146 -8.646 25763 6101 1 20 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.838 -0.638 25763 6102 1 20 . 1 1 3 3 GLY N N 3 109.800 109.800 111.769 -1.969 25763 6103 1 20 . 1 1 3 3 GLY C C 3 174.100 174.100 173.940 0.160 25763 6104 1 20 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.465 0.635 25763 6105 1 20 . 1 1 3 3 GLY H H 3 8.800 8.800 8.599 0.201 25763 6106 1 20 . 1 1 4 4 SER N N 4 115.200 115.200 117.920 -2.720 25763 6107 1 20 . 1 1 4 4 SER HA H 4 4.510 4.510 4.562 -0.052 25763 6108 1 20 . 1 1 4 4 SER C C 4 174.400 174.400 174.916 -0.516 25763 6109 1 20 . 1 1 4 4 SER CA C 4 58.200 58.200 57.530 0.670 25763 6110 1 20 . 1 1 4 4 SER CB C 4 63.500 63.500 64.099 -0.599 25763 6111 1 20 . 1 1 4 4 SER H H 4 8.280 8.280 7.713 0.567 25763 6112 1 20 . 1 1 5 5 MET HA H 5 4.200 4.200 4.382 -0.182 25763 6113 1 20 . 1 1 5 5 MET C C 5 175.800 175.800 174.910 0.890 25763 6114 1 20 . 1 1 5 5 MET CA C 5 61.900 61.900 56.925 4.974 25763 6115 1 20 . 1 1 5 5 MET CB C 5 32.900 32.900 33.365 -0.465 25763 6116 1 20 . 1 1 6 6 SER N N 6 119.700 119.700 112.717 6.983 25763 6117 1 20 . 1 1 6 6 SER HA H 6 4.550 4.550 4.683 -0.133 25763 6118 1 20 . 1 1 6 6 SER C C 6 174.100 174.100 174.086 0.014 25763 6119 1 20 . 1 1 6 6 SER CA C 6 57.700 57.700 57.623 0.077 25763 6120 1 20 . 1 1 6 6 SER CB C 6 63.500 63.500 65.161 -1.661 25763 6121 1 20 . 1 1 6 6 SER H H 6 8.530 8.530 7.737 0.793 25763 6122 1 20 . 1 1 7 7 ILE N N 7 122.400 122.400 124.514 -2.114 25763 6123 1 20 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.112 0.128 25763 6124 1 20 . 1 1 7 7 ILE CA C 7 60.500 60.500 62.626 -2.126 25763 6125 1 20 . 1 1 7 7 ILE CB C 7 38.800 38.800 38.605 0.195 25763 6126 1 20 . 1 1 7 7 ILE H H 7 8.360 8.360 8.921 -0.561 25763 6127 1 20 . 1 1 8 8 ASN N N 8 123.600 123.600 115.434 8.166 25763 6128 1 20 . 1 1 8 8 ASN CA C 8 51.000 51.000 53.295 -2.295 25763 6129 1 20 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.584 0.216 25763 6130 1 20 . 1 1 8 8 ASN H H 8 8.700 8.700 8.098 0.602 25763 6131 1 20 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.444 0.176 25763 6132 1 20 . 1 1 13 13 ASP C C 13 176.800 176.800 177.586 -0.786 25763 6133 1 20 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.804 -1.104 25763 6134 1 20 . 1 1 13 13 ASP CB C 13 40.900 40.900 41.106 -0.206 25763 6135 1 20 . 1 1 14 14 ASN N N 14 117.700 117.700 117.000 0.700 25763 6136 1 20 . 1 1 14 14 ASN C C 14 175.600 175.600 175.202 0.398 25763 6137 1 20 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.105 0.195 25763 6138 1 20 . 1 1 14 14 ASN CB C 14 39.100 39.100 39.938 -0.838 25763 6139 1 20 . 1 1 14 14 ASN H H 14 8.720 8.720 8.019 0.701 25763 6140 1 20 . 1 1 15 15 GLY N N 15 107.500 107.500 107.654 -0.154 25763 6141 1 20 . 1 1 15 15 GLY C C 15 172.600 172.600 173.714 -1.114 25763 6142 1 20 . 1 1 15 15 GLY CA C 15 45.100 45.100 44.922 0.178 25763 6143 1 20 . 1 1 15 15 GLY H H 15 8.160 8.160 8.002 0.158 25763 6144 1 20 . 1 1 16 16 SER N N 16 114.000 114.000 116.325 -2.325 25763 6145 1 20 . 1 1 16 16 SER HA H 16 4.710 4.710 4.271 0.439 25763 6146 1 20 . 1 1 16 16 SER C C 16 174.100 174.100 173.007 1.093 25763 6147 1 20 . 1 1 16 16 SER CA C 16 57.300 57.300 59.603 -2.303 25763 6148 1 20 . 1 1 16 16 SER CB C 16 64.200 64.200 62.735 1.465 25763 6149 1 20 . 1 1 16 16 SER H H 16 7.780 7.780 7.690 0.090 25763 6150 1 20 . 1 1 17 17 PHE N N 17 123.000 123.000 124.262 -1.262 25763 6151 1 20 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.074 -0.374 25763 6152 1 20 . 1 1 17 17 PHE CB C 17 46.000 46.000 41.648 4.353 25763 6153 1 20 . 1 1 17 17 PHE H H 17 9.570 9.570 8.014 1.556 25763 6154 1 20 . 1 1 18 18 PHE N N 18 114.900 114.900 120.602 -5.702 25763 6155 1 20 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.980 0.780 25763 6156 1 20 . 1 1 18 18 PHE C C 18 177.000 177.000 173.220 3.780 25763 6157 1 20 . 1 1 18 18 PHE CA C 18 55.400 55.400 57.159 -1.759 25763 6158 1 20 . 1 1 18 18 PHE CB C 18 44.200 44.200 43.092 1.108 25763 6159 1 20 . 1 1 18 18 PHE H H 18 9.680 9.680 8.301 1.379 25763 6160 1 20 . 1 1 19 19 VAL N N 19 117.000 117.000 121.722 -4.722 25763 6161 1 20 . 1 1 19 19 VAL C C 19 175.000 175.000 173.042 1.958 25763 6162 1 20 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.513 0.887 25763 6163 1 20 . 1 1 19 19 VAL CB C 19 33.000 33.000 36.518 -3.518 25763 6164 1 20 . 1 1 19 19 VAL H H 19 8.720 8.720 9.150 -0.430 25763 6165 1 20 . 1 1 20 20 LEU N N 20 126.400 126.400 128.885 -2.485 25763 6166 1 20 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.762 1.108 25763 6167 1 20 . 1 1 20 20 LEU C C 20 176.800 176.800 174.705 2.095 25763 6168 1 20 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.691 -1.691 25763 6169 1 20 . 1 1 20 20 LEU H H 20 9.490 9.490 8.666 0.824 25763 6170 1 20 . 1 1 21 21 VAL N N 21 114.200 114.200 128.248 -14.048 25763 6171 1 20 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.014 0.726 25763 6172 1 20 . 1 1 21 21 VAL C C 21 174.600 174.600 175.013 -0.413 25763 6173 1 20 . 1 1 21 21 VAL CA C 21 59.100 59.100 60.861 -1.761 25763 6174 1 20 . 1 1 21 21 VAL H H 21 9.210 9.210 9.164 0.046 25763 6175 1 20 . 1 1 22 22 ASN N N 22 121.000 121.000 125.834 -4.834 25763 6176 1 20 . 1 1 22 22 ASN C C 22 177.500 177.500 175.767 1.733 25763 6177 1 20 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.409 -2.809 25763 6178 1 20 . 1 1 22 22 ASN H H 22 7.390 7.390 8.889 -1.499 25763 6179 1 20 . 1 1 23 23 ASP N N 23 117.600 117.600 122.138 -4.538 25763 6180 1 20 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.451 0.049 25763 6181 1 20 . 1 1 23 23 ASP C C 23 176.500 176.500 176.998 -0.498 25763 6182 1 20 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.633 -0.533 25763 6183 1 20 . 1 1 23 23 ASP CB C 23 39.700 39.700 41.222 -1.522 25763 6184 1 20 . 1 1 23 23 ASP H H 23 8.380 8.380 8.915 -0.535 25763 6185 1 20 . 1 1 24 24 GLU N N 24 117.900 117.900 118.206 -0.306 25763 6186 1 20 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.311 0.129 25763 6187 1 20 . 1 1 24 24 GLU C C 24 175.100 175.100 176.108 -1.008 25763 6188 1 20 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.727 -1.327 25763 6189 1 20 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.207 -0.107 25763 6190 1 20 . 1 1 24 24 GLU H H 24 7.300 7.300 8.282 -0.982 25763 6191 1 20 . 1 1 25 25 GLU N N 25 113.000 113.000 112.948 0.052 25763 6192 1 20 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.925 -0.095 25763 6193 1 20 . 1 1 25 25 GLU C C 25 175.900 175.900 175.107 0.793 25763 6194 1 20 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.762 -0.062 25763 6195 1 20 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.799 -1.300 25763 6196 1 20 . 1 1 25 25 GLU H H 25 8.120 8.120 7.814 0.306 25763 6197 1 20 . 1 1 26 26 GLN N N 26 117.100 117.100 116.337 0.763 25763 6198 1 20 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.548 -0.178 25763 6199 1 20 . 1 1 26 26 GLN CA C 26 54.600 54.600 56.114 -1.514 25763 6200 1 20 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.970 -0.570 25763 6201 1 20 . 1 1 26 26 GLN H H 26 7.770 7.770 8.027 -0.257 25763 6202 1 20 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.857 0.263 25763 6203 1 20 . 1 1 27 27 HIS C C 27 174.100 174.100 174.089 0.011 25763 6204 1 20 . 1 1 27 27 HIS CA C 27 53.900 53.900 54.556 -0.656 25763 6205 1 20 . 1 1 28 28 SER N N 28 111.900 111.900 117.005 -5.105 25763 6206 1 20 . 1 1 28 28 SER C C 28 173.200 173.200 172.350 0.850 25763 6207 1 20 . 1 1 28 28 SER CA C 28 57.700 57.700 57.223 0.477 25763 6208 1 20 . 1 1 28 28 SER H H 28 8.830 8.830 8.937 -0.107 25763 6209 1 20 . 1 1 29 29 LEU N N 29 126.000 126.000 122.570 3.430 25763 6210 1 20 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.716 0.594 25763 6211 1 20 . 1 1 29 29 LEU CA C 29 55.200 55.200 55.260 -0.059 25763 6212 1 20 . 1 1 29 29 LEU H H 29 8.840 8.840 8.450 0.390 25763 6213 1 20 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.445 0.625 25763 6214 1 20 . 1 1 31 31 PRO C C 31 176.300 176.300 176.462 -0.162 25763 6215 1 20 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.894 -0.894 25763 6216 1 20 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.737 1.263 25763 6217 1 20 . 1 1 32 32 ALA N N 32 121.500 121.500 126.646 -5.146 25763 6218 1 20 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.435 0.425 25763 6219 1 20 . 1 1 32 32 ALA C C 32 177.600 177.600 177.905 -0.305 25763 6220 1 20 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.461 0.039 25763 6221 1 20 . 1 1 32 32 ALA CB C 32 17.600 17.600 18.227 -0.627 25763 6222 1 20 . 1 1 32 32 ALA H H 32 7.940 7.940 7.791 0.149 25763 6223 1 20 . 1 1 33 33 PHE N N 33 111.800 111.800 117.565 -5.765 25763 6224 1 20 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.396 0.144 25763 6225 1 20 . 1 1 33 33 PHE C C 33 174.700 174.700 175.188 -0.488 25763 6226 1 20 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.920 -1.520 25763 6227 1 20 . 1 1 33 33 PHE CB C 33 37.500 37.500 39.609 -2.109 25763 6228 1 20 . 1 1 33 33 PHE H H 33 6.970 6.970 7.903 -0.933 25763 6229 1 20 . 1 1 34 34 ALA N N 34 125.700 125.700 122.132 3.568 25763 6230 1 20 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.385 0.245 25763 6231 1 20 . 1 1 34 34 ALA C C 34 177.700 177.700 176.171 1.529 25763 6232 1 20 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.393 -1.093 25763 6233 1 20 . 1 1 34 34 ALA CB C 34 20.200 20.200 20.049 0.151 25763 6234 1 20 . 1 1 34 34 ALA H H 34 7.080 7.080 7.354 -0.274 25763 6235 1 20 . 1 1 35 35 ASP N N 35 124.700 124.700 119.567 5.133 25763 6236 1 20 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.651 -0.151 25763 6237 1 20 . 1 1 35 35 ASP C C 35 176.400 176.400 175.567 0.833 25763 6238 1 20 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.434 0.566 25763 6239 1 20 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.471 -1.371 25763 6240 1 20 . 1 1 35 35 ASP H H 35 8.960 8.960 8.353 0.607 25763 6241 1 20 . 1 1 36 36 VAL N N 36 125.800 125.800 124.167 1.633 25763 6242 1 20 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.277 2.023 25763 6243 1 20 . 1 1 36 36 VAL CB C 36 32.100 32.100 33.154 -1.054 25763 6244 1 20 . 1 1 36 36 VAL H H 36 8.700 8.700 8.373 0.327 25763 6245 1 20 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.682 -0.412 25763 6246 1 20 . 1 1 37 37 PRO C C 37 175.600 175.600 175.952 -0.352 25763 6247 1 20 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.417 -0.317 25763 6248 1 20 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.731 -1.331 25763 6249 1 20 . 1 1 38 38 ALA N N 38 122.800 122.800 120.830 1.970 25763 6250 1 20 . 1 1 38 38 ALA HA H 38 4.230 4.230 4.101 0.129 25763 6251 1 20 . 1 1 38 38 ALA C C 38 179.100 179.100 177.810 1.290 25763 6252 1 20 . 1 1 38 38 ALA CA C 38 53.200 53.200 52.441 0.759 25763 6253 1 20 . 1 1 38 38 ALA CB C 38 18.100 18.100 18.945 -0.845 25763 6254 1 20 . 1 1 38 38 ALA H H 38 8.380 8.380 8.202 0.178 25763 6255 1 20 . 1 1 39 39 GLY N N 39 110.000 110.000 108.244 1.756 25763 6256 1 20 . 1 1 39 39 GLY C C 39 173.800 173.800 173.189 0.611 25763 6257 1 20 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.386 0.214 25763 6258 1 20 . 1 1 39 39 GLY H H 39 8.880 8.880 8.479 0.401 25763 6259 1 20 . 1 1 40 40 TRP N N 40 120.300 120.300 117.700 2.600 25763 6260 1 20 . 1 1 40 40 TRP C C 40 174.800 174.800 173.897 0.903 25763 6261 1 20 . 1 1 40 40 TRP CA C 40 56.100 56.100 54.790 1.310 25763 6262 1 20 . 1 1 40 40 TRP CB C 40 31.600 31.600 31.551 0.049 25763 6263 1 20 . 1 1 40 40 TRP H H 40 7.810 7.810 6.841 0.969 25763 6264 1 20 . 1 1 41 41 ARG N N 41 117.800 117.800 120.362 -2.562 25763 6265 1 20 . 1 1 41 41 ARG C C 41 174.700 174.700 174.268 0.432 25763 6266 1 20 . 1 1 41 41 ARG CA C 41 54.000 54.000 56.086 -2.086 25763 6267 1 20 . 1 1 41 41 ARG CB C 41 32.900 32.900 34.957 -2.057 25763 6268 1 20 . 1 1 41 41 ARG H H 41 9.260 9.260 9.080 0.180 25763 6269 1 20 . 1 1 42 42 VAL N N 42 122.400 122.400 126.939 -4.539 25763 6270 1 20 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.480 -0.390 25763 6271 1 20 . 1 1 42 42 VAL C C 42 177.900 177.900 175.532 2.368 25763 6272 1 20 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.268 1.032 25763 6273 1 20 . 1 1 42 42 VAL CB C 42 32.200 32.200 33.248 -1.048 25763 6274 1 20 . 1 1 42 42 VAL H H 42 8.790 8.790 8.893 -0.103 25763 6275 1 20 . 1 1 43 43 VAL N N 43 119.100 119.100 130.217 -11.117 25763 6276 1 20 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.156 0.634 25763 6277 1 20 . 1 1 43 43 VAL C C 43 174.700 174.700 175.491 -0.791 25763 6278 1 20 . 1 1 43 43 VAL CA C 43 60.600 60.600 63.945 -3.345 25763 6279 1 20 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.790 0.910 25763 6280 1 20 . 1 1 43 43 VAL H H 43 9.140 9.140 9.031 0.109 25763 6281 1 20 . 1 1 44 44 HIS N N 44 119.200 119.200 116.246 2.954 25763 6282 1 20 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.729 -0.179 25763 6283 1 20 . 1 1 44 44 HIS C C 44 173.400 173.400 174.272 -0.872 25763 6284 1 20 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.607 1.793 25763 6285 1 20 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.166 -0.466 25763 6286 1 20 . 1 1 44 44 HIS H H 44 7.720 7.720 7.716 0.004 25763 6287 1 20 . 1 1 45 45 GLY N N 45 111.800 111.800 112.306 -0.506 25763 6288 1 20 . 1 1 45 45 GLY C C 45 174.600 174.600 174.134 0.466 25763 6289 1 20 . 1 1 45 45 GLY CA C 45 42.100 42.100 45.111 -3.011 25763 6290 1 20 . 1 1 45 45 GLY H H 45 7.680 7.680 8.641 -0.961 25763 6291 1 20 . 1 1 46 46 GLU N N 46 121.400 121.400 120.691 0.709 25763 6292 1 20 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.833 0.357 25763 6293 1 20 . 1 1 46 46 GLU C C 46 175.200 175.200 176.070 -0.870 25763 6294 1 20 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.797 -0.797 25763 6295 1 20 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.090 1.310 25763 6296 1 20 . 1 1 46 46 GLU H H 46 8.680 8.680 8.622 0.058 25763 6297 1 20 . 1 1 47 47 ALA N N 47 126.700 126.700 129.478 -2.778 25763 6298 1 20 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.225 0.575 25763 6299 1 20 . 1 1 47 47 ALA C C 47 174.900 174.900 175.735 -0.835 25763 6300 1 20 . 1 1 47 47 ALA CA C 47 51.000 51.000 50.431 0.569 25763 6301 1 20 . 1 1 47 47 ALA CB C 47 22.000 22.000 20.540 1.460 25763 6302 1 20 . 1 1 47 47 ALA H H 47 9.430 9.430 7.777 1.653 25763 6303 1 20 . 1 1 48 48 ASP N N 48 117.400 117.400 119.560 -2.160 25763 6304 1 20 . 1 1 48 48 ASP C C 48 175.800 175.800 177.641 -1.841 25763 6305 1 20 . 1 1 48 48 ASP CA C 48 53.800 53.800 54.960 -1.160 25763 6306 1 20 . 1 1 48 48 ASP CB C 48 40.900 40.900 41.591 -0.691 25763 6307 1 20 . 1 1 48 48 ASP H H 48 8.560 8.560 8.144 0.416 25763 6308 1 20 . 1 1 49 49 ARG N N 49 121.500 121.500 122.350 -0.850 25763 6309 1 20 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.937 -0.577 25763 6310 1 20 . 1 1 49 49 ARG C C 49 179.000 179.000 178.115 0.885 25763 6311 1 20 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.587 1.313 25763 6312 1 20 . 1 1 49 49 ARG H H 49 9.310 9.310 8.724 0.586 25763 6313 1 20 . 1 1 50 50 ALA N N 50 119.000 119.000 119.958 -0.958 25763 6314 1 20 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.122 -0.052 25763 6315 1 20 . 1 1 50 50 ALA C C 50 180.500 180.500 179.002 1.498 25763 6316 1 20 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.846 0.354 25763 6317 1 20 . 1 1 50 50 ALA CB C 50 17.700 17.700 18.077 -0.377 25763 6318 1 20 . 1 1 50 50 ALA H H 50 8.620 8.620 8.475 0.145 25763 6319 1 20 . 1 1 51 51 ALA N N 51 121.700 121.700 121.748 -0.048 25763 6320 1 20 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.179 0.151 25763 6321 1 20 . 1 1 51 51 ALA C C 51 182.300 182.300 180.202 2.098 25763 6322 1 20 . 1 1 51 51 ALA CA C 51 54.600 54.600 55.079 -0.479 25763 6323 1 20 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.184 0.616 25763 6324 1 20 . 1 1 51 51 ALA H H 51 8.340 8.340 7.804 0.536 25763 6325 1 20 . 1 1 52 52 CYS N N 52 117.900 117.900 116.942 0.958 25763 6326 1 20 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.602 -0.462 25763 6327 1 20 . 1 1 52 52 CYS C C 52 176.800 176.800 177.354 -0.554 25763 6328 1 20 . 1 1 52 52 CYS CA C 52 64.500 64.500 64.109 0.391 25763 6329 1 20 . 1 1 52 52 CYS CB C 52 27.100 27.100 27.701 -0.601 25763 6330 1 20 . 1 1 52 52 CYS H H 52 8.300 8.300 8.328 -0.028 25763 6331 1 20 . 1 1 53 53 LEU N N 53 120.600 120.600 121.489 -0.889 25763 6332 1 20 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.945 0.225 25763 6333 1 20 . 1 1 53 53 LEU C C 53 179.900 179.900 179.057 0.843 25763 6334 1 20 . 1 1 53 53 LEU CA C 53 58.100 58.100 58.288 -0.188 25763 6335 1 20 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.890 -1.390 25763 6336 1 20 . 1 1 53 53 LEU H H 53 8.780 8.780 8.460 0.320 25763 6337 1 20 . 1 1 54 54 GLU N N 54 120.600 120.600 118.040 2.560 25763 6338 1 20 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.956 0.164 25763 6339 1 20 . 1 1 54 54 GLU C C 54 178.300 178.300 178.524 -0.224 25763 6340 1 20 . 1 1 54 54 GLU CA C 54 59.300 59.300 58.974 0.326 25763 6341 1 20 . 1 1 54 54 GLU CB C 54 29.400 29.400 28.971 0.429 25763 6342 1 20 . 1 1 54 54 GLU H H 54 8.350 8.350 8.579 -0.229 25763 6343 1 20 . 1 1 55 55 TYR N N 55 120.800 120.800 122.269 -1.469 25763 6344 1 20 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.125 0.025 25763 6345 1 20 . 1 1 55 55 TYR CA C 55 61.700 61.700 61.000 0.700 25763 6346 1 20 . 1 1 55 55 TYR CB C 55 37.600 37.600 38.008 -0.409 25763 6347 1 20 . 1 1 55 55 TYR H H 55 7.890 7.890 7.905 -0.015 25763 6348 1 20 . 1 1 56 56 ILE C C 56 176.700 176.700 177.170 -0.470 25763 6349 1 20 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.619 0.581 25763 6350 1 20 . 1 1 57 57 GLU N N 57 119.400 119.400 119.388 0.012 25763 6351 1 20 . 1 1 57 57 GLU HA H 57 4.030 4.030 4.012 0.018 25763 6352 1 20 . 1 1 57 57 GLU C C 57 177.700 177.700 178.633 -0.933 25763 6353 1 20 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.899 -0.399 25763 6354 1 20 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.423 -0.523 25763 6355 1 20 . 1 1 57 57 GLU H H 57 8.290 8.290 8.009 0.281 25763 6356 1 20 . 1 1 58 58 GLU N N 58 115.000 115.000 116.450 -1.450 25763 6357 1 20 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.399 -0.519 25763 6358 1 20 . 1 1 58 58 GLU C C 58 177.600 177.600 177.019 0.581 25763 6359 1 20 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.579 0.121 25763 6360 1 20 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.235 -0.835 25763 6361 1 20 . 1 1 58 58 GLU H H 58 7.780 7.780 8.018 -0.238 25763 6362 1 20 . 1 1 59 59 HIS N N 59 113.700 113.700 113.422 0.278 25763 6363 1 20 . 1 1 59 59 HIS CA C 59 58.400 58.400 57.651 0.749 25763 6364 1 20 . 1 1 59 59 HIS CB C 59 28.000 28.000 28.991 -0.992 25763 6365 1 20 . 1 1 59 59 HIS H H 59 7.420 7.420 7.997 -0.577 25763 6366 1 20 . 1 1 63 63 ILE CB C 63 38.600 38.600 38.413 0.187 25763 6367 1 20 . 1 1 68 68 LEU CA C 68 55.700 55.700 55.236 0.464 25763 6368 1 20 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.608 -0.508 25763 6369 1 20 . 1 1 69 69 ARG N N 69 121.100 121.100 116.895 4.205 25763 6370 1 20 . 1 1 69 69 ARG H H 69 8.550 8.550 7.703 0.847 25763 6371 1 20 . 1 1 70 70 ASP C C 70 176.000 176.000 176.500 -0.500 25763 6372 1 20 . 1 1 70 70 ASP CA C 70 55.600 55.600 52.669 2.932 25763 6373 1 20 . 1 1 70 70 ASP CB C 70 41.000 41.000 42.910 -1.910 25763 6374 1 20 . 1 1 71 71 LYS N N 71 121.200 121.200 116.764 4.436 25763 6375 1 20 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.132 0.088 25763 6376 1 20 . 1 1 71 71 LYS C C 71 177.500 177.500 177.748 -0.248 25763 6377 1 20 . 1 1 71 71 LYS CA C 71 57.100 57.100 58.395 -1.295 25763 6378 1 20 . 1 1 71 71 LYS CB C 71 32.600 32.600 32.368 0.232 25763 6379 1 20 . 1 1 71 71 LYS H H 71 8.260 8.260 8.516 -0.256 25763 6380 1 20 . 1 1 72 72 LEU N N 72 121.600 121.600 117.877 3.723 25763 6381 1 20 . 1 1 72 72 LEU CA C 72 55.300 55.300 55.916 -0.616 25763 6382 1 20 . 1 1 72 72 LEU CB C 72 42.100 42.100 42.835 -0.735 25763 6383 1 20 . 1 1 72 72 LEU H H 72 8.330 8.330 8.193 0.137 25763 6384 1 20 . 1 1 73 73 ALA N N 73 123.900 123.900 121.063 2.837 25763 6385 1 20 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.643 -0.233 25763 6386 1 20 . 1 1 73 73 ALA C C 73 177.900 177.900 177.213 0.687 25763 6387 1 20 . 1 1 73 73 ALA CA C 73 52.500 52.500 51.133 1.367 25763 6388 1 20 . 1 1 73 73 ALA CB C 73 18.800 18.800 17.754 1.046 25763 6389 1 20 . 1 1 73 73 ALA H H 73 8.250 8.250 7.873 0.377 25763 6390 1 20 . 1 1 74 74 THR N N 74 112.000 112.000 114.616 -2.616 25763 6391 1 20 . 1 1 74 74 THR HA H 74 4.400 4.400 4.184 0.216 25763 6392 1 20 . 1 1 74 74 THR C C 74 175.200 175.200 176.301 -1.101 25763 6393 1 20 . 1 1 74 74 THR CA C 74 61.700 61.700 63.204 -1.504 25763 6394 1 20 . 1 1 74 74 THR CB C 74 69.700 69.700 69.481 0.219 25763 6395 1 20 . 1 1 74 74 THR H H 74 8.160 8.160 7.609 0.551 25763 6396 1 20 . 1 1 75 75 GLY N N 75 110.600 110.600 111.736 -1.136 25763 6397 1 20 . 1 1 75 75 GLY C C 75 174.100 174.100 174.139 -0.039 25763 6398 1 20 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.358 0.042 25763 6399 1 20 . 1 1 75 75 GLY H H 75 8.540 8.540 8.498 0.042 25763 6400 1 20 . 1 1 76 76 ARG N N 76 120.100 120.100 123.125 -3.025 25763 6401 1 20 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.128 0.242 25763 6402 1 20 . 1 1 76 76 ARG C C 76 176.600 176.600 176.367 0.233 25763 6403 1 20 . 1 1 76 76 ARG CA C 76 56.000 56.000 56.082 -0.082 25763 6404 1 20 . 1 1 76 76 ARG CB C 76 30.400 30.400 28.594 1.806 25763 6405 1 20 . 1 1 76 76 ARG H H 76 8.340 8.340 8.444 -0.104 25763 6406 1 20 . 1 1 77 77 GLY N N 77 109.400 109.400 112.622 -3.222 25763 6407 1 20 . 1 1 77 77 GLY C C 77 173.800 173.800 173.020 0.780 25763 6408 1 20 . 1 1 77 77 GLY CA C 77 44.900 44.900 44.772 0.128 25763 6409 1 20 . 1 1 77 77 GLY H H 77 8.560 8.560 8.088 0.472 25763 6410 1 20 . 1 1 78 78 PHE N N 78 119.200 119.200 115.213 3.987 25763 6411 1 20 . 1 1 78 78 PHE C C 78 175.500 175.500 174.601 0.899 25763 6412 1 20 . 1 1 78 78 PHE CA C 78 57.800 57.800 56.716 1.084 25763 6413 1 20 . 1 1 78 78 PHE CB C 78 39.300 39.300 40.437 -1.137 25763 6414 1 20 . 1 1 78 78 PHE H H 78 8.270 8.270 7.725 0.545 25763 6415 1 20 . 1 1 79 79 ASP N N 79 121.400 121.400 121.012 0.388 25763 6416 1 20 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.523 0.107 25763 6417 1 20 . 1 1 79 79 ASP C C 79 175.000 175.000 176.107 -1.107 25763 6418 1 20 . 1 1 79 79 ASP CA C 79 54.300 54.300 55.027 -0.727 25763 6419 1 20 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.238 -0.538 25763 6420 1 20 . 1 1 79 79 ASP H H 79 8.540 8.540 8.870 -0.330 25763 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 56 3.015 0.889 2.907 25763 2 1 1 "Average Difference" HA 51 0.455 -0.065 0.455 25763 3 1 1 "Average Difference" C 53 1.209 -0.309 1.180 25763 4 1 1 "Average Difference" CA 63 1.774 0.008 1.788 25763 5 1 1 "Average Difference" CB 52 1.418 0.163 1.422 25763 6 1 1 "Average Difference" HN 56 0.643 -0.154 0.630 25763 7 1 2 "Average Difference" N 56 3.208 0.498 3.198 25763 8 1 2 "Average Difference" HA 51 0.429 -0.086 0.425 25763 9 1 2 "Average Difference" C 53 1.175 -0.504 1.072 25763 10 1 2 "Average Difference" CA 63 1.597 -0.009 1.610 25763 11 1 2 "Average Difference" CB 52 1.340 0.263 1.326 25763 12 1 2 "Average Difference" HN 56 0.691 -0.196 0.668 25763 13 1 3 "Average Difference" N 56 3.568 0.753 3.519 25763 14 1 3 "Average Difference" HA 51 0.442 -0.106 0.434 25763 15 1 3 "Average Difference" C 53 1.001 -0.236 0.982 25763 16 1 3 "Average Difference" CA 63 1.709 0.135 1.717 25763 17 1 3 "Average Difference" CB 52 1.339 -0.014 1.352 25763 18 1 3 "Average Difference" HN 56 0.683 -0.212 0.655 25763 19 1 4 "Average Difference" N 56 3.506 1.100 3.360 25763 20 1 4 "Average Difference" HA 51 0.400 -0.097 0.392 25763 21 1 4 "Average Difference" C 53 1.239 -0.303 1.212 25763 22 1 4 "Average Difference" CA 63 1.781 0.123 1.791 25763 23 1 4 "Average Difference" CB 52 1.419 -0.009 1.433 25763 24 1 4 "Average Difference" HN 56 0.666 -0.187 0.646 25763 25 1 5 "Average Difference" N 56 4.016 1.262 3.847 25763 26 1 5 "Average Difference" HA 51 0.412 -0.078 0.409 25763 27 1 5 "Average Difference" C 53 1.188 -0.294 1.162 25763 28 1 5 "Average Difference" CA 63 1.817 0.157 1.825 25763 29 1 5 "Average Difference" CB 52 1.467 0.071 1.479 25763 30 1 5 "Average Difference" HN 56 0.691 -0.236 0.655 25763 31 1 6 "Average Difference" N 56 3.905 1.150 3.765 25763 32 1 6 "Average Difference" HA 51 0.469 -0.070 0.468 25763 33 1 6 "Average Difference" C 53 1.211 -0.374 1.162 25763 34 1 6 "Average Difference" CA 63 1.677 0.148 1.684 25763 35 1 6 "Average Difference" CB 52 1.310 0.097 1.319 25763 36 1 6 "Average Difference" HN 56 0.600 -0.138 0.589 25763 37 1 7 "Average Difference" N 56 3.726 1.514 3.435 25763 38 1 7 "Average Difference" HA 51 0.460 -0.091 0.455 25763 39 1 7 "Average Difference" C 53 1.087 -0.289 1.057 25763 40 1 7 "Average Difference" CA 63 1.700 0.037 1.714 25763 41 1 7 "Average Difference" CB 52 1.604 0.087 1.617 25763 42 1 7 "Average Difference" HN 56 0.700 -0.248 0.661 25763 43 1 8 "Average Difference" N 56 3.630 0.815 3.569 25763 44 1 8 "Average Difference" HA 51 0.502 -0.088 0.499 25763 45 1 8 "Average Difference" C 53 1.100 -0.182 1.095 25763 46 1 8 "Average Difference" CA 63 1.693 0.046 1.706 25763 47 1 8 "Average Difference" CB 52 1.541 -0.061 1.555 25763 48 1 8 "Average Difference" HN 56 0.648 -0.220 0.616 25763 49 1 9 "Average Difference" N 56 3.922 1.475 3.667 25763 50 1 9 "Average Difference" HA 51 0.470 -0.136 0.454 25763 51 1 9 "Average Difference" C 53 1.178 -0.374 1.128 25763 52 1 9 "Average Difference" CA 63 1.941 0.018 1.956 25763 53 1 9 "Average Difference" CB 52 1.576 0.036 1.591 25763 54 1 9 "Average Difference" HN 56 0.684 -0.200 0.660 25763 55 1 10 "Average Difference" N 56 3.355 0.756 3.299 25763 56 1 10 "Average Difference" HA 51 0.447 -0.085 0.443 25763 57 1 10 "Average Difference" C 53 1.217 -0.328 1.183 25763 58 1 10 "Average Difference" CA 63 1.749 0.166 1.755 25763 59 1 10 "Average Difference" CB 52 1.402 0.055 1.415 25763 60 1 10 "Average Difference" HN 56 0.679 -0.191 0.657 25763 61 1 11 "Average Difference" N 56 3.887 1.261 3.710 25763 62 1 11 "Average Difference" HA 51 0.476 -0.078 0.474 25763 63 1 11 "Average Difference" C 53 1.284 -0.325 1.254 25763 64 1 11 "Average Difference" CA 63 1.789 0.205 1.792 25763 65 1 11 "Average Difference" CB 52 1.170 0.079 1.178 25763 66 1 11 "Average Difference" HN 56 0.640 -0.153 0.627 25763 67 1 12 "Average Difference" N 56 4.173 1.467 3.942 25763 68 1 12 "Average Difference" HA 51 0.435 -0.050 0.437 25763 69 1 12 "Average Difference" C 53 1.303 -0.472 1.226 25763 70 1 12 "Average Difference" CA 63 1.652 0.162 1.658 25763 71 1 12 "Average Difference" CB 52 1.754 0.100 1.768 25763 72 1 12 "Average Difference" HN 56 0.651 -0.188 0.629 25763 73 1 13 "Average Difference" N 56 3.423 0.845 3.347 25763 74 1 13 "Average Difference" HA 51 0.398 -0.035 0.400 25763 75 1 13 "Average Difference" C 53 1.136 -0.308 1.104 25763 76 1 13 "Average Difference" CA 63 1.741 0.125 1.750 25763 77 1 13 "Average Difference" CB 52 1.335 -0.019 1.348 25763 78 1 13 "Average Difference" HN 56 0.724 -0.215 0.697 25763 79 1 14 "Average Difference" N 56 3.879 0.917 3.803 25763 80 1 14 "Average Difference" HA 51 0.447 -0.057 0.447 25763 81 1 14 "Average Difference" C 53 1.217 -0.292 1.193 25763 82 1 14 "Average Difference" CA 63 1.946 0.018 1.962 25763 83 1 14 "Average Difference" CB 52 1.409 0.032 1.422 25763 84 1 14 "Average Difference" HN 56 0.677 -0.267 0.628 25763 85 1 15 "Average Difference" N 56 3.814 0.707 3.782 25763 86 1 15 "Average Difference" HA 51 0.392 -0.067 0.390 25763 87 1 15 "Average Difference" C 53 1.260 -0.475 1.178 25763 88 1 15 "Average Difference" CA 63 1.779 0.008 1.793 25763 89 1 15 "Average Difference" CB 52 1.308 0.022 1.321 25763 90 1 15 "Average Difference" HN 56 0.635 -0.224 0.599 25763 91 1 16 "Average Difference" N 56 3.162 0.708 3.110 25763 92 1 16 "Average Difference" HA 51 0.427 -0.093 0.420 25763 93 1 16 "Average Difference" C 53 1.090 -0.294 1.059 25763 94 1 16 "Average Difference" CA 63 1.770 0.141 1.779 25763 95 1 16 "Average Difference" CB 52 1.455 -0.061 1.467 25763 96 1 16 "Average Difference" HN 56 0.580 -0.172 0.559 25763 97 1 17 "Average Difference" N 56 3.843 0.388 3.858 25763 98 1 17 "Average Difference" HA 51 0.415 -0.041 0.417 25763 99 1 17 "Average Difference" C 53 1.176 -0.554 1.048 25763 100 1 17 "Average Difference" CA 63 1.821 0.052 1.834 25763 101 1 17 "Average Difference" CB 52 1.509 0.174 1.513 25763 102 1 17 "Average Difference" HN 56 0.639 -0.222 0.605 25763 103 1 18 "Average Difference" N 56 3.767 1.289 3.571 25763 104 1 18 "Average Difference" HA 51 0.494 -0.092 0.490 25763 105 1 18 "Average Difference" C 53 1.222 -0.244 1.209 25763 106 1 18 "Average Difference" CA 63 1.810 0.123 1.820 25763 107 1 18 "Average Difference" CB 52 1.551 -0.065 1.565 25763 108 1 18 "Average Difference" HN 56 0.615 -0.135 0.606 25763 109 1 19 "Average Difference" N 56 3.779 1.222 3.608 25763 110 1 19 "Average Difference" HA 51 0.547 -0.201 0.514 25763 111 1 19 "Average Difference" C 53 1.172 -0.258 1.155 25763 112 1 19 "Average Difference" CA 63 1.790 0.134 1.800 25763 113 1 19 "Average Difference" CB 52 1.295 0.095 1.304 25763 114 1 19 "Average Difference" HN 56 0.653 -0.134 0.645 25763 115 1 20 "Average Difference" N 56 3.974 0.691 3.949 25763 116 1 20 "Average Difference" HA 51 0.422 -0.061 0.422 25763 117 1 20 "Average Difference" C 53 1.114 -0.277 1.090 25763 118 1 20 "Average Difference" CA 63 1.792 0.352 1.771 25763 119 1 20 "Average Difference" CB 52 1.257 0.296 1.234 25763 120 1 20 "Average Difference" HN 56 0.610 -0.162 0.593 25763 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 25763 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO CA C 2 53.500 53.500 62.638 -9.138 25763 2 1 . 1 1 2 2 PRO CB C 2 32.200 32.200 32.080 0.120 25763 3 1 . 1 1 3 3 GLY N N 3 109.800 109.800 110.134 -0.334 25763 4 1 . 1 1 3 3 GLY C C 3 174.100 174.100 174.050 0.050 25763 5 1 . 1 1 3 3 GLY CA C 3 45.100 45.100 44.704 0.396 25763 6 1 . 1 1 3 3 GLY H H 3 8.800 8.800 8.298 0.502 25763 7 1 . 1 1 4 4 SER N N 4 115.200 115.200 118.812 -3.612 25763 8 1 . 1 1 4 4 SER HA H 4 4.510 4.510 4.574 -0.064 25763 9 1 . 1 1 4 4 SER C C 4 174.400 174.400 175.094 -0.694 25763 10 1 . 1 1 4 4 SER CA C 4 58.200 58.200 57.769 0.431 25763 11 1 . 1 1 4 4 SER CB C 4 63.500 63.500 64.079 -0.579 25763 12 1 . 1 1 4 4 SER H H 4 8.280 8.280 8.062 0.218 25763 13 1 . 1 1 5 5 MET HA H 5 4.200 4.200 4.359 -0.159 25763 14 1 . 1 1 5 5 MET C C 5 175.800 175.800 175.952 -0.152 25763 15 1 . 1 1 5 5 MET CA C 5 61.900 61.900 56.701 5.199 25763 16 1 . 1 1 5 5 MET CB C 5 32.900 32.900 32.816 0.084 25763 17 1 . 1 1 6 6 SER N N 6 119.700 119.700 112.542 7.158 25763 18 1 . 1 1 6 6 SER HA H 6 4.550 4.550 4.612 -0.062 25763 19 1 . 1 1 6 6 SER C C 6 174.100 174.100 173.757 0.343 25763 20 1 . 1 1 6 6 SER CA C 6 57.700 57.700 57.657 0.043 25763 21 1 . 1 1 6 6 SER CB C 6 63.500 63.500 64.514 -1.014 25763 22 1 . 1 1 6 6 SER H H 6 8.530 8.530 7.842 0.688 25763 23 1 . 1 1 7 7 ILE N N 7 122.400 122.400 123.783 -1.383 25763 24 1 . 1 1 7 7 ILE HA H 7 4.240 4.240 4.140 0.100 25763 25 1 . 1 1 7 7 ILE CA C 7 60.500 60.500 61.265 -0.765 25763 26 1 . 1 1 7 7 ILE CB C 7 38.800 38.800 37.380 1.420 25763 27 1 . 1 1 7 7 ILE H H 7 8.360 8.360 8.511 -0.151 25763 28 1 . 1 1 8 8 ASN N N 8 123.600 123.600 122.958 0.642 25763 29 1 . 1 1 8 8 ASN CA C 8 51.000 51.000 51.944 -0.944 25763 30 1 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.082 -0.282 25763 31 1 . 1 1 8 8 ASN H H 8 8.700 8.700 8.174 0.526 25763 32 1 . 1 1 13 13 ASP HA H 13 4.620 4.620 4.430 0.190 25763 33 1 . 1 1 13 13 ASP C C 13 176.800 176.800 176.954 -0.154 25763 34 1 . 1 1 13 13 ASP CA C 13 55.700 55.700 56.509 -0.809 25763 35 1 . 1 1 13 13 ASP CB C 13 40.900 40.900 40.942 -0.042 25763 36 1 . 1 1 14 14 ASN N N 14 117.700 117.700 116.298 1.402 25763 37 1 . 1 1 14 14 ASN C C 14 175.600 175.600 175.835 -0.236 25763 38 1 . 1 1 14 14 ASN CA C 14 53.300 53.300 53.251 0.050 25763 39 1 . 1 1 14 14 ASN CB C 14 39.100 39.100 38.772 0.328 25763 40 1 . 1 1 14 14 ASN H H 14 8.720 8.720 8.163 0.557 25763 41 1 . 1 1 15 15 GLY N N 15 107.500 107.500 108.603 -1.103 25763 42 1 . 1 1 15 15 GLY C C 15 172.600 172.600 173.985 -1.385 25763 43 1 . 1 1 15 15 GLY CA C 15 45.100 45.100 45.145 -0.045 25763 44 1 . 1 1 15 15 GLY H H 15 8.160 8.160 7.925 0.235 25763 45 1 . 1 1 16 16 SER N N 16 114.000 114.000 117.856 -3.856 25763 46 1 . 1 1 16 16 SER HA H 16 4.710 4.710 4.602 0.108 25763 47 1 . 1 1 16 16 SER C C 16 174.100 174.100 173.706 0.394 25763 48 1 . 1 1 16 16 SER CA C 16 57.300 57.300 58.245 -0.946 25763 49 1 . 1 1 16 16 SER CB C 16 64.200 64.200 64.025 0.175 25763 50 1 . 1 1 16 16 SER H H 16 7.780 7.780 8.005 -0.225 25763 51 1 . 1 1 17 17 PHE N N 17 123.000 123.000 122.435 0.565 25763 52 1 . 1 1 17 17 PHE CA C 17 57.700 57.700 58.243 -0.543 25763 53 1 . 1 1 17 17 PHE CB C 17 46.000 46.000 39.921 6.079 25763 54 1 . 1 1 17 17 PHE H H 17 9.570 9.570 8.117 1.453 25763 55 1 . 1 1 18 18 PHE N N 18 114.900 114.900 118.576 -3.676 25763 56 1 . 1 1 18 18 PHE HA H 18 5.760 5.760 4.995 0.765 25763 57 1 . 1 1 18 18 PHE C C 18 177.000 177.000 173.233 3.767 25763 58 1 . 1 1 18 18 PHE CA C 18 55.400 55.400 55.589 -0.189 25763 59 1 . 1 1 18 18 PHE CB C 18 44.200 44.200 41.814 2.386 25763 60 1 . 1 1 18 18 PHE H H 18 9.680 9.680 7.188 2.492 25763 61 1 . 1 1 19 19 VAL N N 19 117.000 117.000 120.061 -3.061 25763 62 1 . 1 1 19 19 VAL C C 19 175.000 175.000 173.675 1.325 25763 63 1 . 1 1 19 19 VAL CA C 19 62.400 62.400 61.214 1.186 25763 64 1 . 1 1 19 19 VAL CB C 19 33.000 33.000 35.427 -2.427 25763 65 1 . 1 1 19 19 VAL H H 19 8.720 8.720 8.947 -0.227 25763 66 1 . 1 1 20 20 LEU N N 20 126.400 126.400 127.924 -1.524 25763 67 1 . 1 1 20 20 LEU HA H 20 5.870 5.870 4.829 1.041 25763 68 1 . 1 1 20 20 LEU C C 20 176.800 176.800 174.552 2.248 25763 69 1 . 1 1 20 20 LEU CA C 20 52.000 52.000 53.459 -1.459 25763 70 1 . 1 1 20 20 LEU H H 20 9.490 9.490 9.066 0.424 25763 71 1 . 1 1 21 21 VAL N N 21 114.200 114.200 124.464 -10.264 25763 72 1 . 1 1 21 21 VAL HA H 21 5.740 5.740 5.091 0.649 25763 73 1 . 1 1 21 21 VAL C C 21 174.600 174.600 174.511 0.089 25763 74 1 . 1 1 21 21 VAL CA C 21 59.100 59.100 59.960 -0.860 25763 75 1 . 1 1 21 21 VAL H H 21 9.210 9.210 9.104 0.106 25763 76 1 . 1 1 22 22 ASN N N 22 121.000 121.000 124.882 -3.882 25763 77 1 . 1 1 22 22 ASN C C 22 177.500 177.500 175.817 1.683 25763 78 1 . 1 1 22 22 ASN CA C 22 49.600 49.600 52.369 -2.769 25763 79 1 . 1 1 22 22 ASN H H 22 7.390 7.390 8.759 -1.369 25763 80 1 . 1 1 23 23 ASP N N 23 117.600 117.600 122.920 -5.320 25763 81 1 . 1 1 23 23 ASP HA H 23 4.500 4.500 4.413 0.087 25763 82 1 . 1 1 23 23 ASP C C 23 176.500 176.500 176.745 -0.245 25763 83 1 . 1 1 23 23 ASP CA C 23 56.100 56.100 56.782 -0.682 25763 84 1 . 1 1 23 23 ASP CB C 23 39.700 39.700 40.961 -1.260 25763 85 1 . 1 1 23 23 ASP H H 23 8.380 8.380 8.781 -0.401 25763 86 1 . 1 1 24 24 GLU N N 24 117.900 117.900 118.091 -0.191 25763 87 1 . 1 1 24 24 GLU HA H 24 4.440 4.440 4.267 0.173 25763 88 1 . 1 1 24 24 GLU C C 24 175.100 175.100 175.783 -0.683 25763 89 1 . 1 1 24 24 GLU CA C 24 55.400 55.400 56.397 -0.997 25763 90 1 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.061 0.039 25763 91 1 . 1 1 24 24 GLU H H 24 7.300 7.300 8.184 -0.884 25763 92 1 . 1 1 25 25 GLU N N 25 113.000 113.000 114.255 -1.255 25763 93 1 . 1 1 25 25 GLU HA H 25 3.830 3.830 3.942 -0.112 25763 94 1 . 1 1 25 25 GLU C C 25 175.900 175.900 175.067 0.833 25763 95 1 . 1 1 25 25 GLU CA C 25 57.700 57.700 57.436 0.264 25763 96 1 . 1 1 25 25 GLU CB C 25 26.500 26.500 27.460 -0.960 25763 97 1 . 1 1 25 25 GLU H H 25 8.120 8.120 7.989 0.131 25763 98 1 . 1 1 26 26 GLN N N 26 117.100 117.100 118.397 -1.297 25763 99 1 . 1 1 26 26 GLN HA H 26 4.370 4.370 4.350 0.019 25763 100 1 . 1 1 26 26 GLN CA C 26 54.600 54.600 55.722 -1.123 25763 101 1 . 1 1 26 26 GLN CB C 26 29.400 29.400 29.767 -0.367 25763 102 1 . 1 1 26 26 GLN H H 26 7.770 7.770 7.738 0.032 25763 103 1 . 1 1 27 27 HIS HA H 27 6.120 6.120 5.545 0.575 25763 104 1 . 1 1 27 27 HIS C C 27 174.100 174.100 174.369 -0.269 25763 105 1 . 1 1 27 27 HIS CA C 27 53.900 53.900 54.318 -0.418 25763 106 1 . 1 1 28 28 SER N N 28 111.900 111.900 117.738 -5.838 25763 107 1 . 1 1 28 28 SER C C 28 173.200 173.200 172.505 0.695 25763 108 1 . 1 1 28 28 SER CA C 28 57.700 57.700 57.208 0.492 25763 109 1 . 1 1 28 28 SER H H 28 8.830 8.830 9.111 -0.281 25763 110 1 . 1 1 29 29 LEU N N 29 126.000 126.000 119.395 6.605 25763 111 1 . 1 1 29 29 LEU HA H 29 5.310 5.310 4.765 0.545 25763 112 1 . 1 1 29 29 LEU CA C 29 55.200 55.200 54.073 1.127 25763 113 1 . 1 1 29 29 LEU H H 29 8.840 8.840 8.286 0.554 25763 114 1 . 1 1 31 31 PRO HA H 31 5.070 5.070 4.294 0.776 25763 115 1 . 1 1 31 31 PRO C C 31 176.300 176.300 176.460 -0.160 25763 116 1 . 1 1 31 31 PRO CA C 31 62.000 62.000 62.678 -0.678 25763 117 1 . 1 1 31 31 PRO CB C 31 32.000 32.000 30.973 1.027 25763 118 1 . 1 1 32 32 ALA N N 32 121.500 121.500 126.507 -5.007 25763 119 1 . 1 1 32 32 ALA HA H 32 3.860 3.860 3.199 0.661 25763 120 1 . 1 1 32 32 ALA C C 32 177.600 177.600 177.367 0.233 25763 121 1 . 1 1 32 32 ALA CA C 32 53.500 53.500 53.211 0.289 25763 122 1 . 1 1 32 32 ALA CB C 32 17.600 17.600 17.924 -0.324 25763 123 1 . 1 1 32 32 ALA H H 32 7.940 7.940 7.783 0.157 25763 124 1 . 1 1 33 33 PHE N N 33 111.800 111.800 116.159 -4.359 25763 125 1 . 1 1 33 33 PHE HA H 33 4.540 4.540 4.474 0.066 25763 126 1 . 1 1 33 33 PHE C C 33 174.700 174.700 175.206 -0.507 25763 127 1 . 1 1 33 33 PHE CA C 33 56.400 56.400 57.594 -1.194 25763 128 1 . 1 1 33 33 PHE CB C 33 37.500 37.500 38.998 -1.498 25763 129 1 . 1 1 33 33 PHE H H 33 6.970 6.970 7.670 -0.700 25763 130 1 . 1 1 34 34 ALA N N 34 125.700 125.700 122.231 3.469 25763 131 1 . 1 1 34 34 ALA HA H 34 4.630 4.630 4.539 0.091 25763 132 1 . 1 1 34 34 ALA C C 34 177.700 177.700 175.594 2.106 25763 133 1 . 1 1 34 34 ALA CA C 34 50.300 50.300 51.355 -1.055 25763 134 1 . 1 1 34 34 ALA CB C 34 20.200 20.200 21.007 -0.807 25763 135 1 . 1 1 34 34 ALA H H 34 7.080 7.080 7.577 -0.497 25763 136 1 . 1 1 35 35 ASP N N 35 124.700 124.700 119.874 4.826 25763 137 1 . 1 1 35 35 ASP HA H 35 4.500 4.500 4.691 -0.191 25763 138 1 . 1 1 35 35 ASP C C 35 176.400 176.400 175.704 0.696 25763 139 1 . 1 1 35 35 ASP CA C 35 55.000 55.000 54.026 0.974 25763 140 1 . 1 1 35 35 ASP CB C 35 40.100 40.100 41.693 -1.593 25763 141 1 . 1 1 35 35 ASP H H 35 8.960 8.960 8.396 0.564 25763 142 1 . 1 1 36 36 VAL N N 36 125.800 125.800 124.824 0.976 25763 143 1 . 1 1 36 36 VAL CA C 36 61.300 61.300 59.882 1.417 25763 144 1 . 1 1 36 36 VAL CB C 36 32.100 32.100 32.044 0.056 25763 145 1 . 1 1 36 36 VAL H H 36 8.700 8.700 8.292 0.408 25763 146 1 . 1 1 37 37 PRO HA H 37 4.270 4.270 4.490 -0.220 25763 147 1 . 1 1 37 37 PRO C C 37 175.600 175.600 176.312 -0.712 25763 148 1 . 1 1 37 37 PRO CA C 37 62.100 62.100 62.760 -0.660 25763 149 1 . 1 1 37 37 PRO CB C 37 31.400 31.400 32.094 -0.694 25763 150 1 . 1 1 38 38 ALA N N 38 122.800 122.800 125.015 -2.215 25763 151 1 . 1 1 38 38 ALA HA H 38 4.230 4.230 3.926 0.304 25763 152 1 . 1 1 38 38 ALA C C 38 179.100 179.100 178.247 0.853 25763 153 1 . 1 1 38 38 ALA CA C 38 53.200 53.200 53.001 0.199 25763 154 1 . 1 1 38 38 ALA CB C 38 18.100 18.100 19.111 -1.011 25763 155 1 . 1 1 38 38 ALA H H 38 8.380 8.380 8.255 0.125 25763 156 1 . 1 1 39 39 GLY N N 39 110.000 110.000 109.114 0.886 25763 157 1 . 1 1 39 39 GLY C C 39 173.800 173.800 173.538 0.262 25763 158 1 . 1 1 39 39 GLY CA C 39 44.600 44.600 44.644 -0.044 25763 159 1 . 1 1 39 39 GLY H H 39 8.880 8.880 8.328 0.552 25763 160 1 . 1 1 40 40 TRP N N 40 120.300 120.300 120.245 0.055 25763 161 1 . 1 1 40 40 TRP C C 40 174.800 174.800 175.258 -0.458 25763 162 1 . 1 1 40 40 TRP CA C 40 56.100 56.100 55.657 0.443 25763 163 1 . 1 1 40 40 TRP CB C 40 31.600 31.600 30.388 1.212 25763 164 1 . 1 1 40 40 TRP H H 40 7.810 7.810 7.009 0.801 25763 165 1 . 1 1 41 41 ARG N N 41 117.800 117.800 121.320 -3.520 25763 166 1 . 1 1 41 41 ARG C C 41 174.700 174.700 174.506 0.194 25763 167 1 . 1 1 41 41 ARG CA C 41 54.000 54.000 54.754 -0.754 25763 168 1 . 1 1 41 41 ARG CB C 41 32.900 32.900 33.190 -0.290 25763 169 1 . 1 1 41 41 ARG H H 41 9.260 9.260 9.082 0.178 25763 170 1 . 1 1 42 42 VAL N N 42 122.400 122.400 125.974 -3.574 25763 171 1 . 1 1 42 42 VAL HA H 42 4.090 4.090 4.153 -0.063 25763 172 1 . 1 1 42 42 VAL C C 42 177.900 177.900 175.539 2.361 25763 173 1 . 1 1 42 42 VAL CA C 42 63.300 63.300 62.241 1.059 25763 174 1 . 1 1 42 42 VAL CB C 42 32.200 32.200 32.511 -0.311 25763 175 1 . 1 1 42 42 VAL H H 42 8.790 8.790 8.676 0.114 25763 176 1 . 1 1 43 43 VAL N N 43 119.100 119.100 126.416 -7.316 25763 177 1 . 1 1 43 43 VAL HA H 43 4.790 4.790 4.133 0.657 25763 178 1 . 1 1 43 43 VAL C C 43 174.700 174.700 175.253 -0.553 25763 179 1 . 1 1 43 43 VAL CA C 43 60.600 60.600 63.118 -2.518 25763 180 1 . 1 1 43 43 VAL CB C 43 33.700 33.700 32.803 0.897 25763 181 1 . 1 1 43 43 VAL H H 43 9.140 9.140 8.684 0.456 25763 182 1 . 1 1 44 44 HIS N N 44 119.200 119.200 117.480 1.720 25763 183 1 . 1 1 44 44 HIS HA H 44 4.550 4.550 4.790 -0.240 25763 184 1 . 1 1 44 44 HIS C C 44 173.400 173.400 174.308 -0.908 25763 185 1 . 1 1 44 44 HIS CA C 44 57.400 57.400 55.055 2.345 25763 186 1 . 1 1 44 44 HIS CB C 44 32.700 32.700 33.129 -0.429 25763 187 1 . 1 1 44 44 HIS H H 44 7.720 7.720 7.664 0.056 25763 188 1 . 1 1 45 45 GLY N N 45 111.800 111.800 111.187 0.613 25763 189 1 . 1 1 45 45 GLY C C 45 174.600 174.600 173.850 0.750 25763 190 1 . 1 1 45 45 GLY CA C 45 42.100 42.100 44.317 -2.217 25763 191 1 . 1 1 45 45 GLY H H 45 7.680 7.680 8.409 -0.729 25763 192 1 . 1 1 46 46 GLU N N 46 121.400 121.400 118.627 2.773 25763 193 1 . 1 1 46 46 GLU HA H 46 4.190 4.190 3.922 0.268 25763 194 1 . 1 1 46 46 GLU C C 46 175.200 175.200 175.463 -0.263 25763 195 1 . 1 1 46 46 GLU CA C 46 57.000 57.000 57.433 -0.433 25763 196 1 . 1 1 46 46 GLU CB C 46 30.400 30.400 29.578 0.822 25763 197 1 . 1 1 46 46 GLU H H 46 8.680 8.680 8.515 0.165 25763 198 1 . 1 1 47 47 ALA N N 47 126.700 126.700 127.240 -0.540 25763 199 1 . 1 1 47 47 ALA HA H 47 4.800 4.800 4.582 0.218 25763 200 1 . 1 1 47 47 ALA C C 47 174.900 174.900 175.895 -0.995 25763 201 1 . 1 1 47 47 ALA CA C 47 51.000 51.000 51.096 -0.096 25763 202 1 . 1 1 47 47 ALA CB C 47 22.000 22.000 21.463 0.537 25763 203 1 . 1 1 47 47 ALA H H 47 9.430 9.430 8.113 1.317 25763 204 1 . 1 1 48 48 ASP N N 48 117.400 117.400 119.403 -2.003 25763 205 1 . 1 1 48 48 ASP C C 48 175.800 175.800 177.385 -1.585 25763 206 1 . 1 1 48 48 ASP CA C 48 53.800 53.800 53.878 -0.078 25763 207 1 . 1 1 48 48 ASP CB C 48 40.900 40.900 42.102 -1.202 25763 208 1 . 1 1 48 48 ASP H H 48 8.560 8.560 8.474 0.086 25763 209 1 . 1 1 49 49 ARG N N 49 121.500 121.500 121.377 0.123 25763 210 1 . 1 1 49 49 ARG HA H 49 3.360 3.360 3.951 -0.591 25763 211 1 . 1 1 49 49 ARG C C 49 179.000 179.000 178.028 0.972 25763 212 1 . 1 1 49 49 ARG CA C 49 60.900 60.900 59.466 1.434 25763 213 1 . 1 1 49 49 ARG H H 49 9.310 9.310 8.718 0.592 25763 214 1 . 1 1 50 50 ALA N N 50 119.000 119.000 120.986 -1.986 25763 215 1 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.102 -0.032 25763 216 1 . 1 1 50 50 ALA C C 50 180.500 180.500 179.326 1.174 25763 217 1 . 1 1 50 50 ALA CA C 50 55.200 55.200 54.944 0.256 25763 218 1 . 1 1 50 50 ALA CB C 50 17.700 17.700 17.969 -0.269 25763 219 1 . 1 1 50 50 ALA H H 50 8.620 8.620 8.475 0.145 25763 220 1 . 1 1 51 51 ALA N N 51 121.700 121.700 121.141 0.559 25763 221 1 . 1 1 51 51 ALA HA H 51 4.330 4.330 4.271 0.059 25763 222 1 . 1 1 51 51 ALA C C 51 182.300 182.300 179.704 2.596 25763 223 1 . 1 1 51 51 ALA CA C 51 54.600 54.600 54.656 -0.056 25763 224 1 . 1 1 51 51 ALA CB C 51 18.800 18.800 18.176 0.624 25763 225 1 . 1 1 51 51 ALA H H 51 8.340 8.340 7.974 0.366 25763 226 1 . 1 1 52 52 CYS N N 52 117.900 117.900 117.852 0.048 25763 227 1 . 1 1 52 52 CYS HA H 52 4.140 4.140 4.215 -0.075 25763 228 1 . 1 1 52 52 CYS C C 52 176.800 176.800 176.772 0.028 25763 229 1 . 1 1 52 52 CYS CA C 52 64.500 64.500 62.563 1.937 25763 230 1 . 1 1 52 52 CYS CB C 52 27.100 27.100 26.986 0.114 25763 231 1 . 1 1 52 52 CYS H H 52 8.300 8.300 8.082 0.218 25763 232 1 . 1 1 53 53 LEU N N 53 120.600 120.600 120.002 0.598 25763 233 1 . 1 1 53 53 LEU HA H 53 4.170 4.170 3.954 0.216 25763 234 1 . 1 1 53 53 LEU C C 53 179.900 179.900 179.284 0.616 25763 235 1 . 1 1 53 53 LEU CA C 53 58.100 58.100 57.868 0.232 25763 236 1 . 1 1 53 53 LEU CB C 53 40.500 40.500 41.594 -1.094 25763 237 1 . 1 1 53 53 LEU H H 53 8.780 8.780 8.315 0.465 25763 238 1 . 1 1 54 54 GLU N N 54 120.600 120.600 119.177 1.423 25763 239 1 . 1 1 54 54 GLU HA H 54 4.120 4.120 3.997 0.123 25763 240 1 . 1 1 54 54 GLU C C 54 178.300 178.300 178.664 -0.364 25763 241 1 . 1 1 54 54 GLU CA C 54 59.300 59.300 59.108 0.192 25763 242 1 . 1 1 54 54 GLU CB C 54 29.400 29.400 29.296 0.104 25763 243 1 . 1 1 54 54 GLU H H 54 8.350 8.350 8.216 0.134 25763 244 1 . 1 1 55 55 TYR N N 55 120.800 120.800 121.581 -0.781 25763 245 1 . 1 1 55 55 TYR HA H 55 4.150 4.150 4.141 0.009 25763 246 1 . 1 1 55 55 TYR CA C 55 61.700 61.700 60.907 0.793 25763 247 1 . 1 1 55 55 TYR CB C 55 37.600 37.600 37.956 -0.356 25763 248 1 . 1 1 55 55 TYR H H 55 7.890 7.890 8.096 -0.206 25763 249 1 . 1 1 56 56 ILE C C 56 176.700 176.700 177.159 -0.459 25763 250 1 . 1 1 56 56 ILE CB C 56 38.200 38.200 37.864 0.336 25763 251 1 . 1 1 57 57 GLU N N 57 119.400 119.400 118.983 0.417 25763 252 1 . 1 1 57 57 GLU HA H 57 4.030 4.030 3.994 0.036 25763 253 1 . 1 1 57 57 GLU C C 57 177.700 177.700 178.288 -0.588 25763 254 1 . 1 1 57 57 GLU CA C 57 58.500 58.500 58.687 -0.187 25763 255 1 . 1 1 57 57 GLU CB C 57 28.900 28.900 29.640 -0.741 25763 256 1 . 1 1 57 57 GLU H H 57 8.290 8.290 7.700 0.590 25763 257 1 . 1 1 58 58 GLU N N 58 115.000 115.000 117.038 -2.038 25763 258 1 . 1 1 58 58 GLU HA H 58 3.880 3.880 4.094 -0.214 25763 259 1 . 1 1 58 58 GLU C C 58 177.600 177.600 176.692 0.908 25763 260 1 . 1 1 58 58 GLU CA C 58 57.700 57.700 57.413 0.287 25763 261 1 . 1 1 58 58 GLU CB C 58 29.400 29.400 30.068 -0.668 25763 262 1 . 1 1 58 58 GLU H H 58 7.780 7.780 7.932 -0.152 25763 263 1 . 1 1 59 59 HIS N N 59 113.700 113.700 115.924 -2.224 25763 264 1 . 1 1 59 59 HIS CA C 59 58.400 58.400 56.952 1.448 25763 265 1 . 1 1 59 59 HIS CB C 59 28.000 28.000 27.885 0.115 25763 266 1 . 1 1 59 59 HIS H H 59 7.420 7.420 7.828 -0.408 25763 267 1 . 1 1 63 63 ILE CB C 63 38.600 38.600 38.378 0.222 25763 268 1 . 1 1 68 68 LEU CA C 68 55.700 55.700 55.301 0.399 25763 269 1 . 1 1 68 68 LEU CB C 68 42.100 42.100 42.393 -0.293 25763 270 1 . 1 1 69 69 ARG N N 69 121.100 121.100 120.381 0.719 25763 271 1 . 1 1 69 69 ARG H H 69 8.550 8.550 8.178 0.372 25763 272 1 . 1 1 70 70 ASP C C 70 176.000 176.000 176.089 -0.089 25763 273 1 . 1 1 70 70 ASP CA C 70 55.600 55.600 54.375 1.225 25763 274 1 . 1 1 70 70 ASP CB C 70 41.000 41.000 41.182 -0.182 25763 275 1 . 1 1 71 71 LYS N N 71 121.200 121.200 121.593 -0.393 25763 276 1 . 1 1 71 71 LYS HA H 71 4.220 4.220 4.297 -0.077 25763 277 1 . 1 1 71 71 LYS C C 71 177.500 177.500 176.322 1.178 25763 278 1 . 1 1 71 71 LYS CA C 71 57.100 57.100 56.755 0.345 25763 279 1 . 1 1 71 71 LYS CB C 71 32.600 32.600 32.426 0.174 25763 280 1 . 1 1 71 71 LYS H H 71 8.260 8.260 8.498 -0.238 25763 281 1 . 1 1 72 72 LEU N N 72 121.600 121.600 120.498 1.102 25763 282 1 . 1 1 72 72 LEU CA C 72 55.300 55.300 55.007 0.293 25763 283 1 . 1 1 72 72 LEU CB C 72 42.100 42.100 42.222 -0.122 25763 284 1 . 1 1 72 72 LEU H H 72 8.330 8.330 8.114 0.216 25763 285 1 . 1 1 73 73 ALA N N 73 123.900 123.900 122.381 1.519 25763 286 1 . 1 1 73 73 ALA HA H 73 4.410 4.410 4.420 -0.010 25763 287 1 . 1 1 73 73 ALA C C 73 177.900 177.900 177.233 0.667 25763 288 1 . 1 1 73 73 ALA CA C 73 52.500 52.500 52.136 0.364 25763 289 1 . 1 1 73 73 ALA CB C 73 18.800 18.800 18.858 -0.058 25763 290 1 . 1 1 73 73 ALA H H 73 8.250 8.250 7.758 0.492 25763 291 1 . 1 1 74 74 THR N N 74 112.000 112.000 115.883 -3.883 25763 292 1 . 1 1 74 74 THR HA H 74 4.400 4.400 4.312 0.088 25763 293 1 . 1 1 74 74 THR C C 74 175.200 175.200 175.029 0.171 25763 294 1 . 1 1 74 74 THR CA C 74 61.700 61.700 62.616 -0.916 25763 295 1 . 1 1 74 74 THR CB C 74 69.700 69.700 69.078 0.622 25763 296 1 . 1 1 74 74 THR H H 74 8.160 8.160 8.121 0.039 25763 297 1 . 1 1 75 75 GLY N N 75 110.600 110.600 111.951 -1.351 25763 298 1 . 1 1 75 75 GLY C C 75 174.100 174.100 173.393 0.707 25763 299 1 . 1 1 75 75 GLY CA C 75 45.400 45.400 45.031 0.369 25763 300 1 . 1 1 75 75 GLY H H 75 8.540 8.540 8.312 0.228 25763 301 1 . 1 1 76 76 ARG N N 76 120.100 120.100 121.963 -1.863 25763 302 1 . 1 1 76 76 ARG HA H 76 4.370 4.370 4.498 -0.128 25763 303 1 . 1 1 76 76 ARG C C 76 176.600 176.600 175.805 0.795 25763 304 1 . 1 1 76 76 ARG CA C 76 56.000 56.000 55.662 0.338 25763 305 1 . 1 1 76 76 ARG CB C 76 30.400 30.400 30.877 -0.477 25763 306 1 . 1 1 76 76 ARG H H 76 8.340 8.340 8.313 0.027 25763 307 1 . 1 1 77 77 GLY N N 77 109.400 109.400 112.019 -2.619 25763 308 1 . 1 1 77 77 GLY C C 77 173.800 173.800 173.420 0.380 25763 309 1 . 1 1 77 77 GLY CA C 77 44.900 44.900 45.035 -0.135 25763 310 1 . 1 1 77 77 GLY H H 77 8.560 8.560 8.329 0.231 25763 311 1 . 1 1 78 78 PHE N N 78 119.200 119.200 120.017 -0.817 25763 312 1 . 1 1 78 78 PHE C C 78 175.500 175.500 174.932 0.568 25763 313 1 . 1 1 78 78 PHE CA C 78 57.800 57.800 57.455 0.345 25763 314 1 . 1 1 78 78 PHE CB C 78 39.300 39.300 40.483 -1.183 25763 315 1 . 1 1 78 78 PHE H H 78 8.270 8.270 8.118 0.152 25763 316 1 . 1 1 79 79 ASP N N 79 121.400 121.400 121.692 -0.292 25763 317 1 . 1 1 79 79 ASP HA H 79 4.630 4.630 4.555 0.075 25763 318 1 . 1 1 79 79 ASP C C 79 175.000 175.000 175.445 -0.445 25763 319 1 . 1 1 79 79 ASP CA C 79 54.300 54.300 54.533 -0.233 25763 320 1 . 1 1 79 79 ASP CB C 79 40.700 40.700 41.145 -0.445 25763 321 1 . 1 1 79 79 ASP H H 79 8.540 8.540 8.447 0.093 25763 stop_ save_