data_19749 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19749 _Entry.PDB_ID 2MK2 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 19749 _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 10 10 HIS C C 10 175.000 175.000 174.843 0.157 19749 2 1 1 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.578 0.322 19749 3 1 1 . 1 1 10 10 HIS CB C 10 29.900 29.900 31.412 -1.512 19749 4 1 1 . 1 1 11 11 MET N N 11 120.400 120.400 122.252 -1.852 19749 5 1 1 . 1 1 11 11 MET HA H 11 4.000 4.000 4.407 -0.407 19749 6 1 1 . 1 1 11 11 MET C C 11 177.500 177.500 175.719 1.781 19749 7 1 1 . 1 1 11 11 MET CA C 11 54.100 54.100 56.903 -2.803 19749 8 1 1 . 1 1 11 11 MET CB C 11 31.500 31.500 33.157 -1.657 19749 9 1 1 . 1 1 11 11 MET H H 11 7.800 7.800 8.508 -0.708 19749 10 1 1 . 1 1 12 12 SER N N 12 118.600 118.600 115.259 3.341 19749 11 1 1 . 1 1 12 12 SER HA H 12 3.860 3.860 4.120 -0.261 19749 12 1 1 . 1 1 12 12 SER C C 12 173.900 173.900 174.071 -0.171 19749 13 1 1 . 1 1 12 12 SER CA C 12 61.200 61.200 58.506 2.694 19749 14 1 1 . 1 1 12 12 SER CB C 12 62.500 62.500 62.976 -0.476 19749 15 1 1 . 1 1 12 12 SER H H 12 8.520 8.520 8.192 0.328 19749 16 1 1 . 1 1 13 13 TRP N N 13 113.400 113.400 120.866 -7.466 19749 17 1 1 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.651 0.239 19749 18 1 1 . 1 1 13 13 TRP C C 13 176.000 176.000 174.928 1.072 19749 19 1 1 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.482 -2.682 19749 20 1 1 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.300 0.800 19749 21 1 1 . 1 1 13 13 TRP H H 13 6.180 6.180 7.849 -1.669 19749 22 1 1 . 1 1 14 14 TYR N N 14 123.200 123.200 123.768 -0.568 19749 23 1 1 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.363 0.207 19749 24 1 1 . 1 1 14 14 TYR C C 14 174.700 174.700 174.769 -0.069 19749 25 1 1 . 1 1 14 14 TYR CA C 14 56.000 56.000 56.451 -0.451 19749 26 1 1 . 1 1 14 14 TYR CB C 14 37.900 37.900 39.189 -1.289 19749 27 1 1 . 1 1 14 14 TYR H H 14 7.430 7.430 7.493 -0.063 19749 28 1 1 . 1 1 15 15 HIS N N 15 126.900 126.900 124.830 2.070 19749 29 1 1 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.808 -0.258 19749 30 1 1 . 1 1 15 15 HIS C C 15 173.300 173.300 174.423 -1.123 19749 31 1 1 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.096 -0.996 19749 32 1 1 . 1 1 15 15 HIS CB C 15 30.400 30.400 30.644 -0.244 19749 33 1 1 . 1 1 15 15 HIS H H 15 8.680 8.680 8.153 0.527 19749 34 1 1 . 1 1 16 16 ARG N N 16 122.500 122.500 122.084 0.416 19749 35 1 1 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.340 -0.390 19749 36 1 1 . 1 1 16 16 ARG C C 16 176.100 176.100 176.133 -0.033 19749 37 1 1 . 1 1 16 16 ARG CA C 16 57.300 57.300 56.100 1.200 19749 38 1 1 . 1 1 16 16 ARG CB C 16 30.100 30.100 29.066 1.034 19749 39 1 1 . 1 1 16 16 ARG H H 16 7.740 7.740 8.533 -0.792 19749 40 1 1 . 1 1 17 17 ASP N N 17 119.100 119.100 117.534 1.566 19749 41 1 1 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.639 -0.119 19749 42 1 1 . 1 1 17 17 ASP C C 17 174.900 174.900 175.191 -0.291 19749 43 1 1 . 1 1 17 17 ASP CA C 17 54.800 54.800 54.508 0.292 19749 44 1 1 . 1 1 17 17 ASP CB C 17 39.900 39.900 41.391 -1.491 19749 45 1 1 . 1 1 17 17 ASP H H 17 8.900 8.900 8.078 0.822 19749 46 1 1 . 1 1 18 18 LEU N N 18 121.000 121.000 121.516 -0.516 19749 47 1 1 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.645 -0.135 19749 48 1 1 . 1 1 18 18 LEU C C 18 176.300 176.300 175.741 0.559 19749 49 1 1 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.982 -0.482 19749 50 1 1 . 1 1 18 18 LEU CB C 18 44.800 44.800 43.762 1.038 19749 51 1 1 . 1 1 18 18 LEU H H 18 7.280 7.280 8.098 -0.818 19749 52 1 1 . 1 1 19 19 SER N N 19 123.400 123.400 112.307 11.093 19749 53 1 1 . 1 1 19 19 SER HA H 19 4.440 4.440 4.230 0.210 19749 54 1 1 . 1 1 19 19 SER C C 19 173.900 173.900 174.945 -1.045 19749 55 1 1 . 1 1 19 19 SER CA C 19 57.700 57.700 57.871 -0.171 19749 56 1 1 . 1 1 19 19 SER CB C 19 65.200 65.200 63.313 1.887 19749 57 1 1 . 1 1 19 19 SER H H 19 8.650 8.650 7.911 0.739 19749 58 1 1 . 1 1 20 20 ARG N N 20 121.700 121.700 125.846 -4.146 19749 59 1 1 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.067 -0.357 19749 60 1 1 . 1 1 20 20 ARG C C 20 178.200 178.200 177.435 0.765 19749 61 1 1 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.598 1.002 19749 62 1 1 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.190 -0.090 19749 63 1 1 . 1 1 20 20 ARG H H 20 8.970 8.970 8.967 0.003 19749 64 1 1 . 1 1 21 21 ALA N N 21 119.900 119.900 121.806 -1.906 19749 65 1 1 . 1 1 21 21 ALA HA H 21 4.040 4.040 3.989 0.051 19749 66 1 1 . 1 1 21 21 ALA C C 21 180.600 180.600 179.171 1.429 19749 67 1 1 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.088 0.112 19749 68 1 1 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.003 0.297 19749 69 1 1 . 1 1 21 21 ALA H H 21 8.670 8.670 8.262 0.408 19749 70 1 1 . 1 1 22 22 ALA N N 22 121.000 121.000 119.749 1.251 19749 71 1 1 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.224 -0.094 19749 72 1 1 . 1 1 22 22 ALA C C 22 180.900 180.900 179.493 1.407 19749 73 1 1 . 1 1 22 22 ALA CA C 22 54.700 54.700 53.906 0.794 19749 74 1 1 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.235 0.765 19749 75 1 1 . 1 1 22 22 ALA H H 22 7.890 7.890 7.947 -0.057 19749 76 1 1 . 1 1 23 23 ALA N N 23 121.700 121.700 122.849 -1.149 19749 77 1 1 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.916 -0.036 19749 78 1 1 . 1 1 23 23 ALA C C 23 178.700 178.700 178.971 -0.271 19749 79 1 1 . 1 1 23 23 ALA CA C 23 55.100 55.100 54.895 0.205 19749 80 1 1 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.400 0.800 19749 81 1 1 . 1 1 23 23 ALA H H 23 8.570 8.570 8.086 0.484 19749 82 1 1 . 1 1 24 24 GLU N N 24 116.500 116.500 119.642 -3.142 19749 83 1 1 . 1 1 24 24 GLU HA H 24 3.760 3.760 4.035 -0.275 19749 84 1 1 . 1 1 24 24 GLU C C 24 178.900 178.900 178.811 0.089 19749 85 1 1 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.260 1.240 19749 86 1 1 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.714 -1.214 19749 87 1 1 . 1 1 24 24 GLU H H 24 8.200 8.200 8.364 -0.164 19749 88 1 1 . 1 1 25 25 GLU N N 25 120.000 120.000 119.839 0.161 19749 89 1 1 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.121 -0.061 19749 90 1 1 . 1 1 25 25 GLU C C 25 178.400 178.400 178.769 -0.369 19749 91 1 1 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.723 0.677 19749 92 1 1 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.355 0.145 19749 93 1 1 . 1 1 25 25 GLU H H 25 7.690 7.690 7.681 0.009 19749 94 1 1 . 1 1 26 26 LEU N N 26 120.200 120.200 120.969 -0.769 19749 95 1 1 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.040 -0.130 19749 96 1 1 . 1 1 26 26 LEU C C 26 180.200 180.200 178.753 1.447 19749 97 1 1 . 1 1 26 26 LEU CA C 26 58.200 58.200 58.138 0.062 19749 98 1 1 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.432 0.968 19749 99 1 1 . 1 1 26 26 LEU H H 26 7.840 7.840 7.786 0.054 19749 100 1 1 . 1 1 27 27 LEU N N 27 117.800 117.800 117.906 -0.106 19749 101 1 1 . 1 1 27 27 LEU HA H 27 3.980 3.980 4.047 -0.067 19749 102 1 1 . 1 1 27 27 LEU C C 27 177.800 177.800 179.434 -1.634 19749 103 1 1 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.640 -0.040 19749 104 1 1 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.374 0.526 19749 105 1 1 . 1 1 27 27 LEU H H 27 7.960 7.960 7.638 0.322 19749 106 1 1 . 1 1 28 28 ALA N N 28 120.600 120.600 120.919 -0.319 19749 107 1 1 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.071 -0.171 19749 108 1 1 . 1 1 28 28 ALA C C 28 180.900 180.900 179.668 1.232 19749 109 1 1 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.644 0.556 19749 110 1 1 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.574 -0.674 19749 111 1 1 . 1 1 28 28 ALA H H 28 8.160 8.160 7.940 0.220 19749 112 1 1 . 1 1 29 29 ARG N N 29 116.200 116.200 118.139 -1.939 19749 113 1 1 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.179 -0.219 19749 114 1 1 . 1 1 29 29 ARG C C 29 178.000 178.000 178.466 -0.466 19749 115 1 1 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.239 0.361 19749 116 1 1 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.513 -0.213 19749 117 1 1 . 1 1 29 29 ARG H H 29 7.760 7.760 8.176 -0.416 19749 118 1 1 . 1 1 30 30 ALA N N 30 123.200 123.200 120.707 2.493 19749 119 1 1 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.240 -0.040 19749 120 1 1 . 1 1 30 30 ALA C C 30 182.000 182.000 177.957 4.043 19749 121 1 1 . 1 1 30 30 ALA CA C 30 54.900 54.900 52.836 2.064 19749 122 1 1 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.484 -0.784 19749 123 1 1 . 1 1 30 30 ALA H H 30 7.580 7.580 7.623 -0.043 19749 124 1 1 . 1 1 31 31 GLY N N 31 102.400 102.400 107.336 -4.936 19749 125 1 1 . 1 1 31 31 GLY C C 31 174.800 174.800 173.390 1.410 19749 126 1 1 . 1 1 31 31 GLY CA C 31 48.100 48.100 45.087 3.013 19749 127 1 1 . 1 1 31 31 GLY H H 31 7.690 7.690 7.742 -0.052 19749 128 1 1 . 1 1 32 32 ARG N N 32 121.100 121.100 124.306 -3.206 19749 129 1 1 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.343 0.117 19749 130 1 1 . 1 1 32 32 ARG C C 32 176.500 176.500 174.087 2.413 19749 131 1 1 . 1 1 32 32 ARG CA C 32 55.400 55.400 54.957 0.443 19749 132 1 1 . 1 1 32 32 ARG CB C 32 32.600 32.600 32.532 0.068 19749 133 1 1 . 1 1 32 32 ARG H H 32 7.040 7.040 8.190 -1.150 19749 134 1 1 . 1 1 33 33 ASP N N 33 126.100 126.100 126.137 -0.037 19749 135 1 1 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.497 0.273 19749 136 1 1 . 1 1 33 33 ASP C C 33 176.800 176.800 177.568 -0.768 19749 137 1 1 . 1 1 33 33 ASP CA C 33 56.000 56.000 56.348 -0.348 19749 138 1 1 . 1 1 33 33 ASP CB C 33 41.000 41.000 41.205 -0.204 19749 139 1 1 . 1 1 33 33 ASP H H 33 9.110 9.110 8.654 0.456 19749 140 1 1 . 1 1 34 34 GLY N N 34 109.400 109.400 110.872 -1.472 19749 141 1 1 . 1 1 34 34 GLY C C 34 175.800 175.800 174.852 0.948 19749 142 1 1 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.128 0.872 19749 143 1 1 . 1 1 34 34 GLY H H 34 9.440 9.440 8.622 0.818 19749 144 1 1 . 1 1 35 35 SER N N 35 120.400 120.400 118.057 2.343 19749 145 1 1 . 1 1 35 35 SER HA H 35 5.990 5.990 5.352 0.638 19749 146 1 1 . 1 1 35 35 SER C C 35 173.400 173.400 174.171 -0.771 19749 147 1 1 . 1 1 35 35 SER CA C 35 59.800 59.800 59.264 0.536 19749 148 1 1 . 1 1 35 35 SER CB C 35 63.700 63.700 63.699 0.001 19749 149 1 1 . 1 1 35 35 SER H H 35 8.050 8.050 7.639 0.411 19749 150 1 1 . 1 1 36 36 PHE N N 36 122.000 122.000 119.763 2.237 19749 151 1 1 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.996 0.044 19749 152 1 1 . 1 1 36 36 PHE C C 36 170.900 170.900 173.611 -2.711 19749 153 1 1 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.532 0.768 19749 154 1 1 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.124 1.276 19749 155 1 1 . 1 1 36 36 PHE H H 36 8.730 8.730 7.500 1.230 19749 156 1 1 . 1 1 37 37 LEU N N 37 112.500 112.500 115.696 -3.196 19749 157 1 1 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.207 -0.157 19749 158 1 1 . 1 1 37 37 LEU C C 37 175.100 175.100 174.855 0.245 19749 159 1 1 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.543 -0.043 19749 160 1 1 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.281 -0.081 19749 161 1 1 . 1 1 37 37 LEU H H 37 9.000 9.000 8.807 0.193 19749 162 1 1 . 1 1 38 38 VAL N N 38 120.200 120.200 121.726 -1.526 19749 163 1 1 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.189 0.291 19749 164 1 1 . 1 1 38 38 VAL C C 38 173.600 173.600 175.267 -1.667 19749 165 1 1 . 1 1 38 38 VAL CA C 38 61.200 61.200 61.733 -0.533 19749 166 1 1 . 1 1 38 38 VAL CB C 38 35.200 35.200 32.962 2.238 19749 167 1 1 . 1 1 38 38 VAL H H 38 9.830 9.830 8.858 0.972 19749 168 1 1 . 1 1 39 39 ARG N N 39 124.000 124.000 126.636 -2.636 19749 169 1 1 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.740 -0.220 19749 170 1 1 . 1 1 39 39 ARG C C 39 174.700 174.700 175.632 -0.932 19749 171 1 1 . 1 1 39 39 ARG CA C 39 52.800 52.800 52.721 0.079 19749 172 1 1 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.726 0.474 19749 173 1 1 . 1 1 39 39 ARG H H 39 9.240 9.240 9.153 0.087 19749 174 1 1 . 1 1 40 40 ASP N N 40 122.800 122.800 120.075 2.725 19749 175 1 1 . 1 1 40 40 ASP HA H 40 4.950 4.950 4.540 0.410 19749 176 1 1 . 1 1 40 40 ASP C C 40 176.500 176.500 175.756 0.744 19749 177 1 1 . 1 1 40 40 ASP CA C 40 55.900 55.900 55.059 0.841 19749 178 1 1 . 1 1 40 40 ASP CB C 40 40.900 40.900 40.780 0.120 19749 179 1 1 . 1 1 40 40 ASP H H 40 9.060 9.060 8.156 0.904 19749 180 1 1 . 1 1 41 41 SER N N 41 113.600 113.600 118.458 -4.858 19749 181 1 1 . 1 1 41 41 SER HA H 41 4.200 4.200 4.479 -0.279 19749 182 1 1 . 1 1 41 41 SER C C 41 175.700 175.700 175.070 0.630 19749 183 1 1 . 1 1 41 41 SER CA C 41 58.400 58.400 58.123 0.277 19749 184 1 1 . 1 1 41 41 SER CB C 41 63.900 63.900 64.015 -0.115 19749 185 1 1 . 1 1 41 41 SER H H 41 7.870 7.870 8.181 -0.311 19749 186 1 1 . 1 1 42 42 GLU N N 42 127.200 127.200 126.052 1.148 19749 187 1 1 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.267 0.123 19749 188 1 1 . 1 1 42 42 GLU C C 42 176.500 176.500 176.845 -0.345 19749 189 1 1 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.496 1.204 19749 190 1 1 . 1 1 42 42 GLU CB C 42 29.500 29.500 28.367 1.133 19749 191 1 1 . 1 1 42 42 GLU H H 42 9.600 9.600 8.763 0.837 19749 192 1 1 . 1 1 43 43 SER N N 43 113.400 113.400 121.173 -7.773 19749 193 1 1 . 1 1 43 43 SER HA H 43 4.590 4.590 3.917 0.673 19749 194 1 1 . 1 1 43 43 SER C C 43 174.000 174.000 174.875 -0.875 19749 195 1 1 . 1 1 43 43 SER CA C 43 59.400 59.400 61.641 -2.241 19749 196 1 1 . 1 1 43 43 SER CB C 43 65.100 65.100 61.933 3.167 19749 197 1 1 . 1 1 43 43 SER H H 43 8.110 8.110 8.714 -0.604 19749 198 1 1 . 1 1 44 44 VAL N N 44 123.200 123.200 119.649 3.551 19749 199 1 1 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.578 0.562 19749 200 1 1 . 1 1 44 44 VAL C C 44 174.800 174.800 175.971 -1.171 19749 201 1 1 . 1 1 44 44 VAL CA C 44 61.700 61.700 64.969 -3.269 19749 202 1 1 . 1 1 44 44 VAL CB C 44 33.700 33.700 30.878 2.822 19749 203 1 1 . 1 1 44 44 VAL H H 44 7.620 7.620 8.163 -0.543 19749 204 1 1 . 1 1 45 45 ALA N N 45 130.900 130.900 122.609 8.291 19749 205 1 1 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.521 -0.370 19749 206 1 1 . 1 1 45 45 ALA C C 45 178.700 178.700 176.872 1.828 19749 207 1 1 . 1 1 45 45 ALA CA C 45 53.700 53.700 51.926 1.774 19749 208 1 1 . 1 1 45 45 ALA CB C 45 18.100 18.100 19.683 -1.583 19749 209 1 1 . 1 1 45 45 ALA H H 45 8.480 8.480 8.023 0.457 19749 210 1 1 . 1 1 46 46 GLY N N 46 111.400 111.400 107.803 3.597 19749 211 1 1 . 1 1 46 46 GLY C C 46 171.700 171.700 173.838 -2.138 19749 212 1 1 . 1 1 46 46 GLY CA C 46 45.400 45.400 45.273 0.127 19749 213 1 1 . 1 1 46 46 GLY H H 46 8.600 8.600 8.061 0.539 19749 214 1 1 . 1 1 47 47 ALA N N 47 117.600 117.600 120.960 -3.360 19749 215 1 1 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.635 0.245 19749 216 1 1 . 1 1 47 47 ALA C C 47 177.200 177.200 175.388 1.812 19749 217 1 1 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.609 -0.810 19749 218 1 1 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.980 -0.279 19749 219 1 1 . 1 1 47 47 ALA H H 47 7.340 7.340 7.243 0.097 19749 220 1 1 . 1 1 48 48 PHE N N 48 117.100 117.100 116.730 0.370 19749 221 1 1 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.043 0.327 19749 222 1 1 . 1 1 48 48 PHE C C 48 174.100 174.100 174.117 -0.017 19749 223 1 1 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.721 -0.222 19749 224 1 1 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.242 0.658 19749 225 1 1 . 1 1 48 48 PHE H H 48 9.160 9.160 8.429 0.731 19749 226 1 1 . 1 1 49 49 ALA N N 49 125.600 125.600 121.112 4.488 19749 227 1 1 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.197 -0.007 19749 228 1 1 . 1 1 49 49 ALA C C 49 174.900 174.900 175.201 -0.301 19749 229 1 1 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.126 1.074 19749 230 1 1 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.574 -2.174 19749 231 1 1 . 1 1 49 49 ALA H H 49 9.630 9.630 9.041 0.589 19749 232 1 1 . 1 1 50 50 LEU N N 50 127.100 127.100 123.159 3.941 19749 233 1 1 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.421 -0.351 19749 234 1 1 . 1 1 50 50 LEU C C 50 174.500 174.500 175.360 -0.860 19749 235 1 1 . 1 1 50 50 LEU CA C 50 54.000 54.000 54.042 -0.042 19749 236 1 1 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.787 -1.887 19749 237 1 1 . 1 1 50 50 LEU H H 50 9.350 9.350 8.491 0.859 19749 238 1 1 . 1 1 51 51 CYS N N 51 127.300 127.300 128.834 -1.534 19749 239 1 1 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.126 0.284 19749 240 1 1 . 1 1 51 51 CYS C C 51 173.000 173.000 172.995 0.005 19749 241 1 1 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.642 0.558 19749 242 1 1 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.083 2.317 19749 243 1 1 . 1 1 51 51 CYS H H 51 9.300 9.300 9.197 0.103 19749 244 1 1 . 1 1 52 52 VAL N N 52 123.100 123.100 130.063 -6.963 19749 245 1 1 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.367 -0.207 19749 246 1 1 . 1 1 52 52 VAL C C 52 173.800 173.800 174.229 -0.429 19749 247 1 1 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.298 -1.398 19749 248 1 1 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.972 1.328 19749 249 1 1 . 1 1 52 52 VAL H H 52 9.460 9.460 9.092 0.368 19749 250 1 1 . 1 1 53 53 LEU N N 53 130.700 130.700 128.982 1.718 19749 251 1 1 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.257 -0.277 19749 252 1 1 . 1 1 53 53 LEU C C 53 175.200 175.200 174.579 0.621 19749 253 1 1 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.331 0.669 19749 254 1 1 . 1 1 53 53 LEU CB C 53 45.300 45.300 45.009 0.291 19749 255 1 1 . 1 1 53 53 LEU H H 53 9.320 9.320 8.801 0.519 19749 256 1 1 . 1 1 54 54 TYR N N 54 125.700 125.700 125.908 -0.208 19749 257 1 1 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.892 0.018 19749 258 1 1 . 1 1 54 54 TYR C C 54 175.400 175.400 174.106 1.294 19749 259 1 1 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.635 1.065 19749 260 1 1 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.833 0.868 19749 261 1 1 . 1 1 54 54 TYR H H 54 9.260 9.260 8.897 0.363 19749 262 1 1 . 1 1 55 55 GLN N N 55 129.900 129.900 127.520 2.380 19749 263 1 1 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.825 -0.125 19749 264 1 1 . 1 1 55 55 GLN C C 55 175.900 175.900 175.222 0.678 19749 265 1 1 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.727 -0.027 19749 266 1 1 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.184 -0.584 19749 267 1 1 . 1 1 55 55 GLN H H 55 9.750 9.750 8.792 0.958 19749 268 1 1 . 1 1 56 56 LYS N N 56 107.600 107.600 117.788 -10.188 19749 269 1 1 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.942 -0.501 19749 270 1 1 . 1 1 56 56 LYS C C 56 174.800 174.800 174.783 0.017 19749 271 1 1 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.258 1.142 19749 272 1 1 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.761 -1.961 19749 273 1 1 . 1 1 56 56 LYS H H 56 8.920 8.920 8.654 0.266 19749 274 1 1 . 1 1 57 57 HIS N N 57 118.200 118.200 116.968 1.232 19749 275 1 1 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.778 0.122 19749 276 1 1 . 1 1 57 57 HIS C C 57 173.400 173.400 173.321 0.079 19749 277 1 1 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.991 -0.691 19749 278 1 1 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.493 0.407 19749 279 1 1 . 1 1 57 57 HIS H H 57 7.980 7.980 7.501 0.479 19749 280 1 1 . 1 1 58 58 VAL N N 58 124.500 124.500 129.031 -4.531 19749 281 1 1 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.654 -0.314 19749 282 1 1 . 1 1 58 58 VAL C C 58 175.700 175.700 175.196 0.504 19749 283 1 1 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.550 1.550 19749 284 1 1 . 1 1 58 58 VAL CB C 58 32.000 32.000 31.554 0.446 19749 285 1 1 . 1 1 58 58 VAL H H 58 8.800 8.800 8.453 0.347 19749 286 1 1 . 1 1 59 59 HIS N N 59 132.200 132.200 128.970 3.230 19749 287 1 1 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.604 -0.084 19749 288 1 1 . 1 1 59 59 HIS C C 59 174.100 174.100 174.093 0.007 19749 289 1 1 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.892 0.808 19749 290 1 1 . 1 1 59 59 HIS CB C 59 32.200 32.200 32.440 -0.240 19749 291 1 1 . 1 1 59 59 HIS H H 59 9.830 9.830 8.953 0.877 19749 292 1 1 . 1 1 60 60 THR N N 60 119.300 119.300 123.282 -3.982 19749 293 1 1 . 1 1 60 60 THR HA H 60 5.280 5.280 4.910 0.370 19749 294 1 1 . 1 1 60 60 THR C C 60 173.700 173.700 173.251 0.449 19749 295 1 1 . 1 1 60 60 THR CA C 60 62.100 62.100 61.542 0.558 19749 296 1 1 . 1 1 60 60 THR CB C 60 70.300 70.300 69.853 0.447 19749 297 1 1 . 1 1 60 60 THR H H 60 8.420 8.420 8.042 0.378 19749 298 1 1 . 1 1 61 61 TYR N N 61 127.000 127.000 124.893 2.107 19749 299 1 1 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.836 -0.036 19749 300 1 1 . 1 1 61 61 TYR C C 61 175.000 175.000 175.764 -0.764 19749 301 1 1 . 1 1 61 61 TYR CA C 61 56.500 56.500 57.264 -0.764 19749 302 1 1 . 1 1 61 61 TYR CB C 61 40.900 40.900 41.047 -0.147 19749 303 1 1 . 1 1 61 61 TYR H H 61 9.810 9.810 9.019 0.791 19749 304 1 1 . 1 1 62 62 ARG N N 62 124.200 124.200 119.543 4.657 19749 305 1 1 . 1 1 62 62 ARG HA H 62 4.710 4.710 5.288 -0.578 19749 306 1 1 . 1 1 62 62 ARG C C 62 175.000 175.000 175.492 -0.492 19749 307 1 1 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.379 1.521 19749 308 1 1 . 1 1 62 62 ARG CB C 62 31.500 31.500 33.350 -1.850 19749 309 1 1 . 1 1 62 62 ARG H H 62 9.240 9.240 8.703 0.537 19749 310 1 1 . 1 1 63 63 ILE N N 63 124.100 124.100 120.761 3.339 19749 311 1 1 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.780 -0.020 19749 312 1 1 . 1 1 63 63 ILE C C 63 174.900 174.900 174.391 0.509 19749 313 1 1 . 1 1 63 63 ILE CA C 63 60.500 60.500 61.127 -0.627 19749 314 1 1 . 1 1 63 63 ILE CB C 63 39.600 39.600 40.267 -0.668 19749 315 1 1 . 1 1 63 63 ILE H H 63 8.810 8.810 8.206 0.604 19749 316 1 1 . 1 1 64 64 LEU N N 64 126.200 126.200 128.422 -2.222 19749 317 1 1 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.050 0.150 19749 318 1 1 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.383 -0.783 19749 319 1 1 . 1 1 64 64 LEU CB C 64 44.200 44.200 43.244 0.956 19749 320 1 1 . 1 1 64 64 LEU H H 64 8.660 8.660 8.557 0.103 19749 321 1 1 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.487 0.743 19749 322 1 1 . 1 1 65 65 PRO C C 65 177.000 177.000 177.758 -0.758 19749 323 1 1 . 1 1 65 65 PRO CA C 65 62.500 62.500 65.230 -2.730 19749 324 1 1 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.164 0.136 19749 325 1 1 . 1 1 66 66 ASP N N 66 124.500 124.500 115.997 8.503 19749 326 1 1 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.534 0.366 19749 327 1 1 . 1 1 66 66 ASP C C 66 177.200 177.200 175.685 1.515 19749 328 1 1 . 1 1 66 66 ASP CA C 66 52.600 52.600 54.721 -2.121 19749 329 1 1 . 1 1 66 66 ASP CB C 66 43.000 43.000 39.706 3.294 19749 330 1 1 . 1 1 66 66 ASP H H 66 8.650 8.650 8.700 -0.050 19749 331 1 1 . 1 1 67 67 GLY N N 67 108.300 108.300 108.555 -0.255 19749 332 1 1 . 1 1 67 67 GLY C C 67 174.700 174.700 174.073 0.627 19749 333 1 1 . 1 1 67 67 GLY CA C 67 45.900 45.900 46.056 -0.156 19749 334 1 1 . 1 1 67 67 GLY H H 67 8.420 8.420 8.654 -0.234 19749 335 1 1 . 1 1 68 68 GLU N N 68 120.300 120.300 119.916 0.384 19749 336 1 1 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.515 -0.175 19749 337 1 1 . 1 1 68 68 GLU C C 68 176.100 176.100 175.624 0.476 19749 338 1 1 . 1 1 68 68 GLU CA C 68 56.800 56.800 56.764 0.036 19749 339 1 1 . 1 1 68 68 GLU CB C 68 30.300 30.300 31.372 -1.071 19749 340 1 1 . 1 1 68 68 GLU H H 68 8.580 8.580 8.240 0.340 19749 341 1 1 . 1 1 69 69 ASP N N 69 115.000 115.000 117.826 -2.826 19749 342 1 1 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.599 -0.079 19749 343 1 1 . 1 1 69 69 ASP C C 69 175.500 175.500 174.525 0.975 19749 344 1 1 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.509 1.391 19749 345 1 1 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.602 -1.002 19749 346 1 1 . 1 1 69 69 ASP H H 69 8.360 8.360 8.552 -0.192 19749 347 1 1 . 1 1 70 70 PHE N N 70 117.200 117.200 117.964 -0.764 19749 348 1 1 . 1 1 70 70 PHE HA H 70 4.990 4.990 4.828 0.162 19749 349 1 1 . 1 1 70 70 PHE C C 70 175.700 175.700 175.549 0.151 19749 350 1 1 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.533 1.067 19749 351 1 1 . 1 1 70 70 PHE CB C 70 41.700 41.700 40.463 1.237 19749 352 1 1 . 1 1 70 70 PHE H H 70 8.120 8.120 7.866 0.254 19749 353 1 1 . 1 1 71 71 LEU N N 71 120.900 120.900 125.699 -4.799 19749 354 1 1 . 1 1 71 71 LEU HA H 71 4.950 4.950 4.803 0.147 19749 355 1 1 . 1 1 71 71 LEU C C 71 175.900 175.900 176.223 -0.323 19749 356 1 1 . 1 1 71 71 LEU CA C 71 53.900 53.900 54.445 -0.545 19749 357 1 1 . 1 1 71 71 LEU CB C 71 45.700 45.700 41.724 3.976 19749 358 1 1 . 1 1 71 71 LEU H H 71 9.330 9.330 8.922 0.408 19749 359 1 1 . 1 1 72 72 ALA N N 72 121.500 121.500 128.265 -6.765 19749 360 1 1 . 1 1 72 72 ALA HA H 72 5.210 5.210 5.269 -0.059 19749 361 1 1 . 1 1 72 72 ALA C C 72 176.900 176.900 176.001 0.899 19749 362 1 1 . 1 1 72 72 ALA CA C 72 51.500 51.500 49.947 1.553 19749 363 1 1 . 1 1 72 72 ALA CB C 72 23.000 23.000 21.855 1.145 19749 364 1 1 . 1 1 72 72 ALA H H 72 8.670 8.670 9.086 -0.416 19749 365 1 1 . 1 1 73 73 VAL N N 73 122.700 122.700 122.419 0.281 19749 366 1 1 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.503 0.077 19749 367 1 1 . 1 1 73 73 VAL C C 73 175.100 175.100 175.864 -0.764 19749 368 1 1 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.194 0.606 19749 369 1 1 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.356 0.444 19749 370 1 1 . 1 1 73 73 VAL H H 73 9.310 9.310 8.229 1.081 19749 371 1 1 . 1 1 74 74 GLN N N 74 128.600 128.600 127.335 1.265 19749 372 1 1 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.619 0.091 19749 373 1 1 . 1 1 74 74 GLN C C 74 175.900 175.900 176.314 -0.414 19749 374 1 1 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.010 0.090 19749 375 1 1 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.213 2.487 19749 376 1 1 . 1 1 74 74 GLN H H 74 9.090 9.090 8.928 0.162 19749 377 1 1 . 1 1 75 75 THR N N 75 117.700 117.700 115.149 2.551 19749 378 1 1 . 1 1 75 75 THR HA H 75 4.490 4.490 4.344 0.146 19749 379 1 1 . 1 1 75 75 THR C C 75 174.700 174.700 174.551 0.149 19749 380 1 1 . 1 1 75 75 THR CA C 75 62.200 62.200 62.980 -0.780 19749 381 1 1 . 1 1 75 75 THR CB C 75 69.800 69.800 69.491 0.309 19749 382 1 1 . 1 1 75 75 THR H H 75 8.510 8.510 8.202 0.308 19749 383 1 1 . 1 1 76 76 SER N N 76 115.300 115.300 113.736 1.564 19749 384 1 1 . 1 1 76 76 SER HA H 76 4.540 4.540 4.662 -0.122 19749 385 1 1 . 1 1 76 76 SER C C 76 174.200 174.200 173.529 0.671 19749 386 1 1 . 1 1 76 76 SER CA C 76 58.600 58.600 57.506 1.094 19749 387 1 1 . 1 1 76 76 SER CB C 76 64.200 64.200 65.905 -1.705 19749 388 1 1 . 1 1 76 76 SER H H 76 8.250 8.250 7.831 0.419 19749 389 1 1 . 1 1 77 77 GLN N N 77 120.500 120.500 120.366 0.134 19749 390 1 1 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.407 -0.187 19749 391 1 1 . 1 1 77 77 GLN C C 77 176.900 176.900 177.961 -1.061 19749 392 1 1 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.281 0.019 19749 393 1 1 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.832 0.068 19749 394 1 1 . 1 1 77 77 GLN H H 77 8.510 8.510 8.497 0.013 19749 395 1 1 . 1 1 78 78 GLY N N 78 110.300 110.300 107.917 2.383 19749 396 1 1 . 1 1 78 78 GLY C C 78 173.800 173.800 174.337 -0.537 19749 397 1 1 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.854 -0.354 19749 398 1 1 . 1 1 78 78 GLY H H 78 8.610 8.610 8.270 0.340 19749 399 1 1 . 1 1 79 79 VAL N N 79 119.500 119.500 122.259 -2.759 19749 400 1 1 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.026 0.524 19749 401 1 1 . 1 1 79 79 VAL CA C 79 59.500 59.500 60.410 -0.910 19749 402 1 1 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.003 0.797 19749 403 1 1 . 1 1 79 79 VAL H H 79 7.400 7.400 7.600 -0.200 19749 404 1 1 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.312 0.108 19749 405 1 1 . 1 1 80 80 PRO C C 80 176.900 176.900 175.971 0.929 19749 406 1 1 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.981 0.319 19749 407 1 1 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.700 0.600 19749 408 1 1 . 1 1 81 81 VAL N N 81 121.600 121.600 123.016 -1.416 19749 409 1 1 . 1 1 81 81 VAL HA H 81 4.040 4.040 3.967 0.073 19749 410 1 1 . 1 1 81 81 VAL C C 81 175.800 175.800 176.390 -0.590 19749 411 1 1 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.076 0.924 19749 412 1 1 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.388 0.412 19749 413 1 1 . 1 1 81 81 VAL H H 81 8.390 8.390 8.256 0.134 19749 414 1 1 . 1 1 82 82 ARG N N 82 125.400 125.400 126.998 -1.598 19749 415 1 1 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.484 -0.034 19749 416 1 1 . 1 1 82 82 ARG C C 82 173.900 173.900 174.320 -0.420 19749 417 1 1 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.101 0.899 19749 418 1 1 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.587 0.713 19749 419 1 1 . 1 1 82 82 ARG H H 82 8.170 8.170 8.614 -0.444 19749 420 1 1 . 1 1 83 83 ARG N N 83 121.200 121.200 122.583 -1.383 19749 421 1 1 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.481 0.849 19749 422 1 1 . 1 1 83 83 ARG C C 83 175.600 175.600 174.930 0.670 19749 423 1 1 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.142 -0.642 19749 424 1 1 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.198 2.302 19749 425 1 1 . 1 1 83 83 ARG H H 83 8.060 8.060 8.250 -0.190 19749 426 1 1 . 1 1 84 84 PHE N N 84 118.600 118.600 121.986 -3.386 19749 427 1 1 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.767 0.183 19749 428 1 1 . 1 1 84 84 PHE C C 84 175.200 175.200 175.999 -0.799 19749 429 1 1 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.357 0.743 19749 430 1 1 . 1 1 84 84 PHE CB C 84 44.500 44.500 41.474 3.026 19749 431 1 1 . 1 1 84 84 PHE H H 84 9.320 9.320 8.612 0.708 19749 432 1 1 . 1 1 85 85 GLN N N 85 120.800 120.800 120.634 0.166 19749 433 1 1 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.472 -0.422 19749 434 1 1 . 1 1 85 85 GLN C C 85 176.000 176.000 176.151 -0.151 19749 435 1 1 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.116 2.284 19749 436 1 1 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.873 0.427 19749 437 1 1 . 1 1 85 85 GLN H H 85 9.660 9.660 9.003 0.657 19749 438 1 1 . 1 1 86 86 THR N N 86 103.000 103.000 108.787 -5.787 19749 439 1 1 . 1 1 86 86 THR HA H 86 4.810 4.810 4.601 0.209 19749 440 1 1 . 1 1 86 86 THR C C 86 174.500 174.500 174.826 -0.326 19749 441 1 1 . 1 1 86 86 THR CA C 86 58.700 58.700 59.713 -1.013 19749 442 1 1 . 1 1 86 86 THR CB C 86 73.400 73.400 71.822 1.578 19749 443 1 1 . 1 1 86 86 THR H H 86 7.260 7.260 7.730 -0.470 19749 444 1 1 . 1 1 87 87 LEU N N 87 122.200 122.200 122.443 -0.243 19749 445 1 1 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.965 -0.135 19749 446 1 1 . 1 1 87 87 LEU C C 87 178.600 178.600 178.731 -0.131 19749 447 1 1 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.013 0.087 19749 448 1 1 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.123 1.278 19749 449 1 1 . 1 1 87 87 LEU H H 87 9.150 9.150 8.709 0.441 19749 450 1 1 . 1 1 88 88 GLY N N 88 105.200 105.200 107.047 -1.847 19749 451 1 1 . 1 1 88 88 GLY C C 88 176.900 176.900 176.050 0.850 19749 452 1 1 . 1 1 88 88 GLY CA C 88 47.400 47.400 46.961 0.439 19749 453 1 1 . 1 1 88 88 GLY H H 88 8.870 8.870 8.535 0.335 19749 454 1 1 . 1 1 89 89 GLU N N 89 122.000 122.000 121.946 0.054 19749 455 1 1 . 1 1 89 89 GLU HA H 89 3.930 3.930 3.923 0.007 19749 456 1 1 . 1 1 89 89 GLU C C 89 177.600 177.600 178.353 -0.753 19749 457 1 1 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.595 0.305 19749 458 1 1 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.374 1.626 19749 459 1 1 . 1 1 89 89 GLU H H 89 7.670 7.670 7.520 0.150 19749 460 1 1 . 1 1 90 90 LEU N N 90 122.300 122.300 120.745 1.555 19749 461 1 1 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.344 0.086 19749 462 1 1 . 1 1 90 90 LEU C C 90 177.200 177.200 177.913 -0.713 19749 463 1 1 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.385 1.315 19749 464 1 1 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.568 0.532 19749 465 1 1 . 1 1 90 90 LEU H H 90 6.880 6.880 6.738 0.142 19749 466 1 1 . 1 1 91 91 ILE N N 91 118.800 118.800 117.089 1.711 19749 467 1 1 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.287 -0.177 19749 468 1 1 . 1 1 91 91 ILE C C 91 177.700 177.700 178.405 -0.705 19749 469 1 1 . 1 1 91 91 ILE CA C 91 61.400 61.400 63.175 -1.774 19749 470 1 1 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.974 -0.574 19749 471 1 1 . 1 1 91 91 ILE H H 91 7.880 7.880 7.602 0.278 19749 472 1 1 . 1 1 92 92 GLY N N 92 103.900 103.900 107.837 -3.937 19749 473 1 1 . 1 1 92 92 GLY C C 92 176.400 176.400 175.655 0.745 19749 474 1 1 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.660 0.140 19749 475 1 1 . 1 1 92 92 GLY H H 92 7.570 7.570 7.674 -0.104 19749 476 1 1 . 1 1 93 93 LEU N N 93 123.200 123.200 121.904 1.296 19749 477 1 1 . 1 1 93 93 LEU HA H 93 4.080 4.080 3.997 0.083 19749 478 1 1 . 1 1 93 93 LEU C C 93 179.100 179.100 178.753 0.347 19749 479 1 1 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.187 0.213 19749 480 1 1 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.117 -1.317 19749 481 1 1 . 1 1 93 93 LEU H H 93 7.360 7.360 7.658 -0.298 19749 482 1 1 . 1 1 94 94 TYR N N 94 114.000 114.000 117.124 -3.124 19749 483 1 1 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.505 -0.275 19749 484 1 1 . 1 1 94 94 TYR C C 94 175.600 175.600 177.804 -2.204 19749 485 1 1 . 1 1 94 94 TYR CA C 94 60.200 60.200 59.151 1.049 19749 486 1 1 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.741 -0.141 19749 487 1 1 . 1 1 94 94 TYR H H 94 7.380 7.380 7.941 -0.561 19749 488 1 1 . 1 1 95 95 ALA N N 95 123.100 123.100 120.757 2.343 19749 489 1 1 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.219 0.141 19749 490 1 1 . 1 1 95 95 ALA C C 95 177.300 177.300 177.359 -0.059 19749 491 1 1 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.403 0.497 19749 492 1 1 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.838 0.162 19749 493 1 1 . 1 1 95 95 ALA H H 95 7.330 7.330 7.304 0.026 19749 494 1 1 . 1 1 96 96 GLN N N 96 116.500 116.500 118.644 -2.144 19749 495 1 1 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.578 -0.038 19749 496 1 1 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.770 0.230 19749 497 1 1 . 1 1 96 96 GLN CB C 96 28.600 28.600 29.268 -0.668 19749 498 1 1 . 1 1 96 96 GLN H H 96 7.620 7.620 7.368 0.252 19749 499 1 1 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.312 -0.072 19749 500 1 1 . 1 1 97 97 PRO C C 97 176.800 176.800 175.990 0.810 19749 501 1 1 . 1 1 97 97 PRO CA C 97 62.800 62.800 64.193 -1.393 19749 502 1 1 . 1 1 97 97 PRO CB C 97 32.800 32.800 31.934 0.866 19749 503 1 1 . 1 1 98 98 ASN N N 98 114.900 114.900 121.364 -6.464 19749 504 1 1 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.603 -0.123 19749 505 1 1 . 1 1 98 98 ASN C C 98 175.100 175.100 174.614 0.486 19749 506 1 1 . 1 1 98 98 ASN CA C 98 54.300 54.300 52.795 1.505 19749 507 1 1 . 1 1 98 98 ASN CB C 98 36.900 36.900 39.285 -2.385 19749 508 1 1 . 1 1 98 98 ASN H H 98 8.960 8.960 8.665 0.295 19749 509 1 1 . 1 1 99 99 GLN N N 99 115.400 115.400 120.878 -5.478 19749 510 1 1 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.247 0.253 19749 511 1 1 . 1 1 99 99 GLN C C 99 176.100 176.100 174.431 1.669 19749 512 1 1 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.812 -1.512 19749 513 1 1 . 1 1 99 99 GLN CB C 99 29.600 29.600 28.347 1.253 19749 514 1 1 . 1 1 99 99 GLN H H 99 8.610 8.610 8.138 0.472 19749 515 1 1 . 1 1 100 100 GLY N N 100 107.400 107.400 109.389 -1.989 19749 516 1 1 . 1 1 100 100 GLY C C 100 174.600 174.600 173.744 0.856 19749 517 1 1 . 1 1 100 100 GLY CA C 100 45.400 45.400 44.891 0.509 19749 518 1 1 . 1 1 100 100 GLY H H 100 8.460 8.460 8.492 -0.032 19749 519 1 1 . 1 1 101 101 LEU N N 101 118.400 118.400 124.188 -5.788 19749 520 1 1 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.421 -0.041 19749 521 1 1 . 1 1 101 101 LEU C C 101 178.000 178.000 178.932 -0.932 19749 522 1 1 . 1 1 101 101 LEU CA C 101 52.900 52.900 55.145 -2.245 19749 523 1 1 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.100 0.300 19749 524 1 1 . 1 1 101 101 LEU H H 101 8.020 8.020 8.131 -0.111 19749 525 1 1 . 1 1 102 102 VAL N N 102 114.700 114.700 120.657 -5.957 19749 526 1 1 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.824 -0.234 19749 527 1 1 . 1 1 102 102 VAL C C 102 173.600 173.600 175.965 -2.365 19749 528 1 1 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.903 -1.303 19749 529 1 1 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.203 -1.103 19749 530 1 1 . 1 1 102 102 VAL H H 102 7.260 7.260 8.415 -1.155 19749 531 1 1 . 1 1 103 103 CYS N N 103 112.400 112.400 112.014 0.386 19749 532 1 1 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.211 0.029 19749 533 1 1 . 1 1 103 103 CYS C C 103 170.600 170.600 173.872 -3.272 19749 534 1 1 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.306 -1.206 19749 535 1 1 . 1 1 103 103 CYS CB C 103 29.600 29.600 28.356 1.244 19749 536 1 1 . 1 1 103 103 CYS H H 103 6.920 6.920 7.612 -0.692 19749 537 1 1 . 1 1 104 104 ALA N N 104 119.600 119.600 122.685 -3.085 19749 538 1 1 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.021 0.189 19749 539 1 1 . 1 1 104 104 ALA C C 104 176.300 176.300 176.041 0.259 19749 540 1 1 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.610 -1.010 19749 541 1 1 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.606 0.794 19749 542 1 1 . 1 1 104 104 ALA H H 104 7.840 7.840 7.526 0.314 19749 543 1 1 . 1 1 105 105 LEU N N 105 117.100 117.100 120.582 -3.482 19749 544 1 1 . 1 1 105 105 LEU HA H 105 3.780 3.780 4.335 -0.555 19749 545 1 1 . 1 1 105 105 LEU C C 105 175.400 175.400 177.468 -2.068 19749 546 1 1 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.098 -0.498 19749 547 1 1 . 1 1 105 105 LEU CB C 105 37.400 37.400 40.046 -2.646 19749 548 1 1 . 1 1 105 105 LEU H H 105 7.610 7.610 8.189 -0.579 19749 549 1 1 . 1 1 106 106 LEU N N 106 124.700 124.700 128.512 -3.812 19749 550 1 1 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.446 0.154 19749 551 1 1 . 1 1 106 106 LEU C C 106 177.600 177.600 176.449 1.151 19749 552 1 1 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.498 -0.198 19749 553 1 1 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.661 2.339 19749 554 1 1 . 1 1 106 106 LEU H H 106 8.160 8.160 8.744 -0.584 19749 555 1 1 . 1 1 107 107 LEU N N 107 121.400 121.400 111.179 10.221 19749 556 1 1 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.954 0.156 19749 557 1 1 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.831 -1.131 19749 558 1 1 . 1 1 107 107 LEU CB C 107 44.600 44.600 42.946 1.655 19749 559 1 1 . 1 1 107 107 LEU H H 107 7.930 7.930 8.076 -0.146 19749 560 1 1 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.705 -0.275 19749 561 1 1 . 1 1 108 108 PRO C C 108 176.500 176.500 176.802 -0.302 19749 562 1 1 . 1 1 108 108 PRO CA C 108 62.400 62.400 64.690 -2.290 19749 563 1 1 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.890 0.910 19749 564 1 2 . 1 1 10 10 HIS C C 10 175.000 175.000 174.344 0.656 19749 565 1 2 . 1 1 10 10 HIS CA C 10 55.900 55.900 54.974 0.926 19749 566 1 2 . 1 1 10 10 HIS CB C 10 29.900 29.900 28.284 1.617 19749 567 1 2 . 1 1 11 11 MET N N 11 120.400 120.400 117.748 2.652 19749 568 1 2 . 1 1 11 11 MET HA H 11 4.000 4.000 4.461 -0.461 19749 569 1 2 . 1 1 11 11 MET C C 11 177.500 177.500 175.092 2.408 19749 570 1 2 . 1 1 11 11 MET CA C 11 54.100 54.100 55.242 -1.143 19749 571 1 2 . 1 1 11 11 MET CB C 11 31.500 31.500 32.685 -1.185 19749 572 1 2 . 1 1 11 11 MET H H 11 7.800 7.800 7.536 0.264 19749 573 1 2 . 1 1 12 12 SER N N 12 118.600 118.600 117.080 1.520 19749 574 1 2 . 1 1 12 12 SER HA H 12 3.860 3.860 4.060 -0.200 19749 575 1 2 . 1 1 12 12 SER C C 12 173.900 173.900 175.638 -1.738 19749 576 1 2 . 1 1 12 12 SER CA C 12 61.200 61.200 57.587 3.613 19749 577 1 2 . 1 1 12 12 SER CB C 12 62.500 62.500 64.052 -1.552 19749 578 1 2 . 1 1 12 12 SER H H 12 8.520 8.520 7.829 0.691 19749 579 1 2 . 1 1 13 13 TRP N N 13 113.400 113.400 122.013 -8.613 19749 580 1 2 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.785 0.105 19749 581 1 2 . 1 1 13 13 TRP C C 13 176.000 176.000 174.939 1.061 19749 582 1 2 . 1 1 13 13 TRP CA C 13 53.800 53.800 55.190 -1.390 19749 583 1 2 . 1 1 13 13 TRP CB C 13 30.100 30.100 28.945 1.155 19749 584 1 2 . 1 1 13 13 TRP H H 13 6.180 6.180 7.699 -1.519 19749 585 1 2 . 1 1 14 14 TYR N N 14 123.200 123.200 122.401 0.799 19749 586 1 2 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.320 0.250 19749 587 1 2 . 1 1 14 14 TYR C C 14 174.700 174.700 174.253 0.447 19749 588 1 2 . 1 1 14 14 TYR CA C 14 56.000 56.000 56.118 -0.118 19749 589 1 2 . 1 1 14 14 TYR CB C 14 37.900 37.900 39.916 -2.016 19749 590 1 2 . 1 1 14 14 TYR H H 14 7.430 7.430 7.304 0.126 19749 591 1 2 . 1 1 15 15 HIS N N 15 126.900 126.900 128.608 -1.708 19749 592 1 2 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.674 -0.124 19749 593 1 2 . 1 1 15 15 HIS C C 15 173.300 173.300 174.118 -0.818 19749 594 1 2 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.927 -1.827 19749 595 1 2 . 1 1 15 15 HIS CB C 15 30.400 30.400 30.324 0.076 19749 596 1 2 . 1 1 15 15 HIS H H 15 8.680 8.680 8.491 0.190 19749 597 1 2 . 1 1 16 16 ARG N N 16 122.500 122.500 123.288 -0.788 19749 598 1 2 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.221 -0.271 19749 599 1 2 . 1 1 16 16 ARG C C 16 176.100 176.100 175.815 0.285 19749 600 1 2 . 1 1 16 16 ARG CA C 16 57.300 57.300 56.294 1.006 19749 601 1 2 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.497 -0.397 19749 602 1 2 . 1 1 16 16 ARG H H 16 7.740 7.740 7.760 -0.020 19749 603 1 2 . 1 1 17 17 ASP N N 17 119.100 119.100 117.919 1.181 19749 604 1 2 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.292 0.228 19749 605 1 2 . 1 1 17 17 ASP C C 17 174.900 174.900 174.636 0.264 19749 606 1 2 . 1 1 17 17 ASP CA C 17 54.800 54.800 55.234 -0.434 19749 607 1 2 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.121 -0.221 19749 608 1 2 . 1 1 17 17 ASP H H 17 8.900 8.900 8.741 0.159 19749 609 1 2 . 1 1 18 18 LEU N N 18 121.000 121.000 119.565 1.435 19749 610 1 2 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.661 -0.151 19749 611 1 2 . 1 1 18 18 LEU C C 18 176.300 176.300 175.362 0.938 19749 612 1 2 . 1 1 18 18 LEU CA C 18 54.500 54.500 53.812 0.688 19749 613 1 2 . 1 1 18 18 LEU CB C 18 44.800 44.800 45.100 -0.300 19749 614 1 2 . 1 1 18 18 LEU H H 18 7.280 7.280 7.802 -0.522 19749 615 1 2 . 1 1 19 19 SER N N 19 123.400 123.400 121.420 1.980 19749 616 1 2 . 1 1 19 19 SER HA H 19 4.440 4.440 4.656 -0.216 19749 617 1 2 . 1 1 19 19 SER C C 19 173.900 173.900 175.733 -1.833 19749 618 1 2 . 1 1 19 19 SER CA C 19 57.700 57.700 58.223 -0.523 19749 619 1 2 . 1 1 19 19 SER CB C 19 65.200 65.200 64.777 0.423 19749 620 1 2 . 1 1 19 19 SER H H 19 8.650 8.650 8.427 0.223 19749 621 1 2 . 1 1 20 20 ARG N N 20 121.700 121.700 121.105 0.595 19749 622 1 2 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.087 -0.377 19749 623 1 2 . 1 1 20 20 ARG C C 20 178.200 178.200 178.048 0.152 19749 624 1 2 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.357 1.243 19749 625 1 2 . 1 1 20 20 ARG CB C 20 30.100 30.100 29.669 0.431 19749 626 1 2 . 1 1 20 20 ARG H H 20 8.970 8.970 8.537 0.433 19749 627 1 2 . 1 1 21 21 ALA N N 21 119.900 119.900 122.063 -2.163 19749 628 1 2 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.085 -0.045 19749 629 1 2 . 1 1 21 21 ALA C C 21 180.600 180.600 179.463 1.137 19749 630 1 2 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.649 0.551 19749 631 1 2 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.041 0.259 19749 632 1 2 . 1 1 21 21 ALA H H 21 8.670 8.670 8.429 0.241 19749 633 1 2 . 1 1 22 22 ALA N N 22 121.000 121.000 120.136 0.864 19749 634 1 2 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.062 0.068 19749 635 1 2 . 1 1 22 22 ALA C C 22 180.900 180.900 179.461 1.439 19749 636 1 2 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.463 0.237 19749 637 1 2 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.341 0.659 19749 638 1 2 . 1 1 22 22 ALA H H 22 7.890 7.890 7.605 0.285 19749 639 1 2 . 1 1 23 23 ALA N N 23 121.700 121.700 121.971 -0.271 19749 640 1 2 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.980 -0.100 19749 641 1 2 . 1 1 23 23 ALA C C 23 178.700 178.700 179.569 -0.869 19749 642 1 2 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.120 -0.020 19749 643 1 2 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.394 0.806 19749 644 1 2 . 1 1 23 23 ALA H H 23 8.570 8.570 8.042 0.528 19749 645 1 2 . 1 1 24 24 GLU N N 24 116.500 116.500 117.621 -1.121 19749 646 1 2 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.940 -0.180 19749 647 1 2 . 1 1 24 24 GLU C C 24 178.900 178.900 178.856 0.044 19749 648 1 2 . 1 1 24 24 GLU CA C 24 60.500 60.500 58.868 1.632 19749 649 1 2 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.121 -0.621 19749 650 1 2 . 1 1 24 24 GLU H H 24 8.200 8.200 8.348 -0.148 19749 651 1 2 . 1 1 25 25 GLU N N 25 120.000 120.000 121.198 -1.198 19749 652 1 2 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.098 -0.038 19749 653 1 2 . 1 1 25 25 GLU C C 25 178.400 178.400 178.606 -0.206 19749 654 1 2 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.692 0.708 19749 655 1 2 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.404 0.096 19749 656 1 2 . 1 1 25 25 GLU H H 25 7.690 7.690 7.696 -0.006 19749 657 1 2 . 1 1 26 26 LEU N N 26 120.200 120.200 120.849 -0.649 19749 658 1 2 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.029 -0.119 19749 659 1 2 . 1 1 26 26 LEU C C 26 180.200 180.200 178.981 1.219 19749 660 1 2 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.845 0.355 19749 661 1 2 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.445 0.955 19749 662 1 2 . 1 1 26 26 LEU H H 26 7.840 7.840 7.888 -0.048 19749 663 1 2 . 1 1 27 27 LEU N N 27 117.800 117.800 118.488 -0.688 19749 664 1 2 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.925 0.055 19749 665 1 2 . 1 1 27 27 LEU C C 27 177.800 177.800 179.169 -1.369 19749 666 1 2 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.942 -0.342 19749 667 1 2 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.269 0.631 19749 668 1 2 . 1 1 27 27 LEU H H 27 7.960 7.960 8.305 -0.345 19749 669 1 2 . 1 1 28 28 ALA N N 28 120.600 120.600 121.244 -0.644 19749 670 1 2 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.011 -0.111 19749 671 1 2 . 1 1 28 28 ALA C C 28 180.900 180.900 178.747 2.153 19749 672 1 2 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.841 0.359 19749 673 1 2 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.336 -0.436 19749 674 1 2 . 1 1 28 28 ALA H H 28 8.160 8.160 7.843 0.317 19749 675 1 2 . 1 1 29 29 ARG N N 29 116.200 116.200 116.445 -0.245 19749 676 1 2 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.238 -0.278 19749 677 1 2 . 1 1 29 29 ARG C C 29 178.000 178.000 177.719 0.281 19749 678 1 2 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.324 0.276 19749 679 1 2 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.674 -0.374 19749 680 1 2 . 1 1 29 29 ARG H H 29 7.760 7.760 7.773 -0.013 19749 681 1 2 . 1 1 30 30 ALA N N 30 123.200 123.200 120.168 3.032 19749 682 1 2 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.504 -0.304 19749 683 1 2 . 1 1 30 30 ALA C C 30 182.000 182.000 178.573 3.427 19749 684 1 2 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.656 1.244 19749 685 1 2 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.669 -0.969 19749 686 1 2 . 1 1 30 30 ALA H H 30 7.580 7.580 7.548 0.032 19749 687 1 2 . 1 1 31 31 GLY N N 31 102.400 102.400 105.580 -3.180 19749 688 1 2 . 1 1 31 31 GLY C C 31 174.800 174.800 174.953 -0.153 19749 689 1 2 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.899 3.201 19749 690 1 2 . 1 1 31 31 GLY H H 31 7.690 7.690 7.928 -0.238 19749 691 1 2 . 1 1 32 32 ARG N N 32 121.100 121.100 119.019 2.081 19749 692 1 2 . 1 1 32 32 ARG HA H 32 4.460 4.460 3.873 0.587 19749 693 1 2 . 1 1 32 32 ARG C C 32 176.500 176.500 173.842 2.658 19749 694 1 2 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.643 -2.243 19749 695 1 2 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.549 3.051 19749 696 1 2 . 1 1 32 32 ARG H H 32 7.040 7.040 8.296 -1.256 19749 697 1 2 . 1 1 33 33 ASP N N 33 126.100 126.100 117.323 8.777 19749 698 1 2 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.547 0.223 19749 699 1 2 . 1 1 33 33 ASP C C 33 176.800 176.800 175.665 1.135 19749 700 1 2 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.741 1.259 19749 701 1 2 . 1 1 33 33 ASP CB C 33 41.000 41.000 41.898 -0.898 19749 702 1 2 . 1 1 33 33 ASP H H 33 9.110 9.110 7.797 1.313 19749 703 1 2 . 1 1 34 34 GLY N N 34 109.400 109.400 113.842 -4.442 19749 704 1 2 . 1 1 34 34 GLY C C 34 175.800 175.800 174.576 1.224 19749 705 1 2 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.869 0.131 19749 706 1 2 . 1 1 34 34 GLY H H 34 9.440 9.440 8.668 0.772 19749 707 1 2 . 1 1 35 35 SER N N 35 120.400 120.400 117.350 3.050 19749 708 1 2 . 1 1 35 35 SER HA H 35 5.990 5.990 5.803 0.187 19749 709 1 2 . 1 1 35 35 SER C C 35 173.400 173.400 174.123 -0.723 19749 710 1 2 . 1 1 35 35 SER CA C 35 59.800 59.800 57.675 2.125 19749 711 1 2 . 1 1 35 35 SER CB C 35 63.700 63.700 63.951 -0.251 19749 712 1 2 . 1 1 35 35 SER H H 35 8.050 8.050 7.784 0.266 19749 713 1 2 . 1 1 36 36 PHE N N 36 122.000 122.000 121.606 0.394 19749 714 1 2 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.810 0.230 19749 715 1 2 . 1 1 36 36 PHE C C 36 170.900 170.900 173.670 -2.770 19749 716 1 2 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.284 1.016 19749 717 1 2 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.798 1.602 19749 718 1 2 . 1 1 36 36 PHE H H 36 8.730 8.730 7.651 1.079 19749 719 1 2 . 1 1 37 37 LEU N N 37 112.500 112.500 115.212 -2.712 19749 720 1 2 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.049 0.001 19749 721 1 2 . 1 1 37 37 LEU C C 37 175.100 175.100 174.868 0.232 19749 722 1 2 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.364 0.136 19749 723 1 2 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.208 -0.008 19749 724 1 2 . 1 1 37 37 LEU H H 37 9.000 9.000 8.963 0.037 19749 725 1 2 . 1 1 38 38 VAL N N 38 120.200 120.200 118.384 1.816 19749 726 1 2 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.470 0.010 19749 727 1 2 . 1 1 38 38 VAL C C 38 173.600 173.600 175.680 -2.080 19749 728 1 2 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.851 0.349 19749 729 1 2 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.706 0.494 19749 730 1 2 . 1 1 38 38 VAL H H 38 9.830 9.830 9.030 0.800 19749 731 1 2 . 1 1 39 39 ARG N N 39 124.000 124.000 120.294 3.706 19749 732 1 2 . 1 1 39 39 ARG HA H 39 5.520 5.520 4.695 0.825 19749 733 1 2 . 1 1 39 39 ARG C C 39 174.700 174.700 173.972 0.728 19749 734 1 2 . 1 1 39 39 ARG CA C 39 52.800 52.800 54.623 -1.823 19749 735 1 2 . 1 1 39 39 ARG CB C 39 34.200 34.200 32.899 1.301 19749 736 1 2 . 1 1 39 39 ARG H H 39 9.240 9.240 9.208 0.032 19749 737 1 2 . 1 1 40 40 ASP N N 40 122.800 122.800 120.546 2.254 19749 738 1 2 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.201 -0.251 19749 739 1 2 . 1 1 40 40 ASP C C 40 176.500 176.500 176.340 0.160 19749 740 1 2 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.527 2.373 19749 741 1 2 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.849 -0.949 19749 742 1 2 . 1 1 40 40 ASP H H 40 9.060 9.060 8.433 0.627 19749 743 1 2 . 1 1 41 41 SER N N 41 113.600 113.600 120.480 -6.880 19749 744 1 2 . 1 1 41 41 SER HA H 41 4.200 4.200 4.317 -0.117 19749 745 1 2 . 1 1 41 41 SER C C 41 175.700 175.700 174.876 0.824 19749 746 1 2 . 1 1 41 41 SER CA C 41 58.400 58.400 59.581 -1.181 19749 747 1 2 . 1 1 41 41 SER CB C 41 63.900 63.900 63.904 -0.004 19749 748 1 2 . 1 1 41 41 SER H H 41 7.870 7.870 8.277 -0.407 19749 749 1 2 . 1 1 42 42 GLU N N 42 127.200 127.200 124.809 2.391 19749 750 1 2 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.169 0.221 19749 751 1 2 . 1 1 42 42 GLU C C 42 176.500 176.500 176.256 0.244 19749 752 1 2 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.766 0.935 19749 753 1 2 . 1 1 42 42 GLU CB C 42 29.500 29.500 28.507 0.993 19749 754 1 2 . 1 1 42 42 GLU H H 42 9.600 9.600 8.664 0.936 19749 755 1 2 . 1 1 43 43 SER N N 43 113.400 113.400 117.529 -4.129 19749 756 1 2 . 1 1 43 43 SER HA H 43 4.590 4.590 4.190 0.400 19749 757 1 2 . 1 1 43 43 SER C C 43 174.000 174.000 174.175 -0.175 19749 758 1 2 . 1 1 43 43 SER CA C 43 59.400 59.400 59.215 0.185 19749 759 1 2 . 1 1 43 43 SER CB C 43 65.100 65.100 62.375 2.725 19749 760 1 2 . 1 1 43 43 SER H H 43 8.110 8.110 8.629 -0.519 19749 761 1 2 . 1 1 44 44 VAL N N 44 123.200 123.200 120.167 3.033 19749 762 1 2 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.956 0.184 19749 763 1 2 . 1 1 44 44 VAL C C 44 174.800 174.800 176.837 -2.037 19749 764 1 2 . 1 1 44 44 VAL CA C 44 61.700 61.700 65.026 -3.326 19749 765 1 2 . 1 1 44 44 VAL CB C 44 33.700 33.700 32.104 1.596 19749 766 1 2 . 1 1 44 44 VAL H H 44 7.620 7.620 7.650 -0.030 19749 767 1 2 . 1 1 45 45 ALA N N 45 130.900 130.900 119.586 11.314 19749 768 1 2 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.371 -0.221 19749 769 1 2 . 1 1 45 45 ALA C C 45 178.700 178.700 177.179 1.521 19749 770 1 2 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.389 1.310 19749 771 1 2 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.677 -0.577 19749 772 1 2 . 1 1 45 45 ALA H H 45 8.480 8.480 8.134 0.346 19749 773 1 2 . 1 1 46 46 GLY N N 46 111.400 111.400 106.091 5.309 19749 774 1 2 . 1 1 46 46 GLY C C 46 171.700 171.700 174.061 -2.361 19749 775 1 2 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.990 0.410 19749 776 1 2 . 1 1 46 46 GLY H H 46 8.600 8.600 8.523 0.077 19749 777 1 2 . 1 1 47 47 ALA N N 47 117.600 117.600 120.967 -3.367 19749 778 1 2 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.675 0.205 19749 779 1 2 . 1 1 47 47 ALA C C 47 177.200 177.200 176.407 0.793 19749 780 1 2 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.855 -1.055 19749 781 1 2 . 1 1 47 47 ALA CB C 47 21.700 21.700 20.948 0.752 19749 782 1 2 . 1 1 47 47 ALA H H 47 7.340 7.340 7.592 -0.252 19749 783 1 2 . 1 1 48 48 PHE N N 48 117.100 117.100 118.334 -1.234 19749 784 1 2 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.453 -0.083 19749 785 1 2 . 1 1 48 48 PHE C C 48 174.100 174.100 175.081 -0.981 19749 786 1 2 . 1 1 48 48 PHE CA C 48 56.500 56.500 57.030 -0.530 19749 787 1 2 . 1 1 48 48 PHE CB C 48 43.900 43.900 42.270 1.630 19749 788 1 2 . 1 1 48 48 PHE H H 48 9.160 9.160 8.185 0.975 19749 789 1 2 . 1 1 49 49 ALA N N 49 125.600 125.600 122.825 2.775 19749 790 1 2 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.218 -0.028 19749 791 1 2 . 1 1 49 49 ALA C C 49 174.900 174.900 175.289 -0.389 19749 792 1 2 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.104 1.096 19749 793 1 2 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.379 -1.979 19749 794 1 2 . 1 1 49 49 ALA H H 49 9.630 9.630 9.076 0.554 19749 795 1 2 . 1 1 50 50 LEU N N 50 127.100 127.100 124.298 2.802 19749 796 1 2 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.322 -0.252 19749 797 1 2 . 1 1 50 50 LEU C C 50 174.500 174.500 175.477 -0.977 19749 798 1 2 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.749 0.251 19749 799 1 2 . 1 1 50 50 LEU CB C 50 43.900 43.900 44.314 -0.414 19749 800 1 2 . 1 1 50 50 LEU H H 50 9.350 9.350 8.293 1.057 19749 801 1 2 . 1 1 51 51 CYS N N 51 127.300 127.300 128.366 -1.066 19749 802 1 2 . 1 1 51 51 CYS HA H 51 5.410 5.410 4.910 0.500 19749 803 1 2 . 1 1 51 51 CYS C C 51 173.000 173.000 173.603 -0.603 19749 804 1 2 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.253 -0.053 19749 805 1 2 . 1 1 51 51 CYS CB C 51 30.400 30.400 27.255 3.145 19749 806 1 2 . 1 1 51 51 CYS H H 51 9.300 9.300 9.203 0.097 19749 807 1 2 . 1 1 52 52 VAL N N 52 123.100 123.100 126.163 -3.063 19749 808 1 2 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.889 0.271 19749 809 1 2 . 1 1 52 52 VAL C C 52 173.800 173.800 174.199 -0.399 19749 810 1 2 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.441 -1.541 19749 811 1 2 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.597 1.703 19749 812 1 2 . 1 1 52 52 VAL H H 52 9.460 9.460 8.899 0.561 19749 813 1 2 . 1 1 53 53 LEU N N 53 130.700 130.700 126.541 4.159 19749 814 1 2 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.343 -0.363 19749 815 1 2 . 1 1 53 53 LEU C C 53 175.200 175.200 174.401 0.799 19749 816 1 2 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.325 0.675 19749 817 1 2 . 1 1 53 53 LEU CB C 53 45.300 45.300 46.385 -1.085 19749 818 1 2 . 1 1 53 53 LEU H H 53 9.320 9.320 8.728 0.592 19749 819 1 2 . 1 1 54 54 TYR N N 54 125.700 125.700 124.178 1.522 19749 820 1 2 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.693 0.217 19749 821 1 2 . 1 1 54 54 TYR C C 54 175.400 175.400 174.243 1.157 19749 822 1 2 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.269 0.431 19749 823 1 2 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.723 0.977 19749 824 1 2 . 1 1 54 54 TYR H H 54 9.260 9.260 8.693 0.567 19749 825 1 2 . 1 1 55 55 GLN N N 55 129.900 129.900 127.411 2.489 19749 826 1 2 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.852 -0.152 19749 827 1 2 . 1 1 55 55 GLN C C 55 175.900 175.900 175.484 0.416 19749 828 1 2 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.742 -0.042 19749 829 1 2 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.030 -0.430 19749 830 1 2 . 1 1 55 55 GLN H H 55 9.750 9.750 8.489 1.261 19749 831 1 2 . 1 1 56 56 LYS N N 56 107.600 107.600 112.406 -4.806 19749 832 1 2 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.803 -0.363 19749 833 1 2 . 1 1 56 56 LYS C C 56 174.800 174.800 175.064 -0.264 19749 834 1 2 . 1 1 56 56 LYS CA C 56 58.400 58.400 58.043 0.357 19749 835 1 2 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.302 -1.502 19749 836 1 2 . 1 1 56 56 LYS H H 56 8.920 8.920 8.655 0.265 19749 837 1 2 . 1 1 57 57 HIS N N 57 118.200 118.200 117.935 0.265 19749 838 1 2 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.832 0.068 19749 839 1 2 . 1 1 57 57 HIS C C 57 173.400 173.400 173.434 -0.034 19749 840 1 2 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.259 0.041 19749 841 1 2 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.271 0.629 19749 842 1 2 . 1 1 57 57 HIS H H 57 7.980 7.980 7.403 0.577 19749 843 1 2 . 1 1 58 58 VAL N N 58 124.500 124.500 128.148 -3.648 19749 844 1 2 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.759 -0.419 19749 845 1 2 . 1 1 58 58 VAL C C 58 175.700 175.700 175.696 0.004 19749 846 1 2 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.562 1.538 19749 847 1 2 . 1 1 58 58 VAL CB C 58 32.000 32.000 33.767 -1.766 19749 848 1 2 . 1 1 58 58 VAL H H 58 8.800 8.800 8.825 -0.025 19749 849 1 2 . 1 1 59 59 HIS N N 59 132.200 132.200 125.174 7.026 19749 850 1 2 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.723 -0.203 19749 851 1 2 . 1 1 59 59 HIS C C 59 174.100 174.100 173.471 0.629 19749 852 1 2 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.719 0.980 19749 853 1 2 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.549 -1.349 19749 854 1 2 . 1 1 59 59 HIS H H 59 9.830 9.830 9.083 0.747 19749 855 1 2 . 1 1 60 60 THR N N 60 119.300 119.300 116.658 2.642 19749 856 1 2 . 1 1 60 60 THR HA H 60 5.280 5.280 4.910 0.370 19749 857 1 2 . 1 1 60 60 THR C C 60 173.700 173.700 173.515 0.185 19749 858 1 2 . 1 1 60 60 THR CA C 60 62.100 62.100 60.373 1.727 19749 859 1 2 . 1 1 60 60 THR CB C 60 70.300 70.300 70.214 0.086 19749 860 1 2 . 1 1 60 60 THR H H 60 8.420 8.420 7.936 0.484 19749 861 1 2 . 1 1 61 61 TYR N N 61 127.000 127.000 123.711 3.289 19749 862 1 2 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.688 0.112 19749 863 1 2 . 1 1 61 61 TYR C C 61 175.000 175.000 175.329 -0.329 19749 864 1 2 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.868 -0.368 19749 865 1 2 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.606 1.294 19749 866 1 2 . 1 1 61 61 TYR H H 61 9.810 9.810 8.107 1.703 19749 867 1 2 . 1 1 62 62 ARG N N 62 124.200 124.200 125.182 -0.982 19749 868 1 2 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.590 0.120 19749 869 1 2 . 1 1 62 62 ARG C C 62 175.000 175.000 175.831 -0.831 19749 870 1 2 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.888 1.012 19749 871 1 2 . 1 1 62 62 ARG CB C 62 31.500 31.500 29.386 2.114 19749 872 1 2 . 1 1 62 62 ARG H H 62 9.240 9.240 8.642 0.598 19749 873 1 2 . 1 1 63 63 ILE N N 63 124.100 124.100 124.838 -0.738 19749 874 1 2 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.313 0.447 19749 875 1 2 . 1 1 63 63 ILE C C 63 174.900 174.900 176.088 -1.188 19749 876 1 2 . 1 1 63 63 ILE CA C 63 60.500 60.500 61.813 -1.313 19749 877 1 2 . 1 1 63 63 ILE CB C 63 39.600 39.600 38.630 0.969 19749 878 1 2 . 1 1 63 63 ILE H H 63 8.810 8.810 8.078 0.732 19749 879 1 2 . 1 1 64 64 LEU N N 64 126.200 126.200 128.030 -1.830 19749 880 1 2 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.760 0.440 19749 881 1 2 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.968 -0.368 19749 882 1 2 . 1 1 64 64 LEU CB C 64 44.200 44.200 40.469 3.731 19749 883 1 2 . 1 1 64 64 LEU H H 64 8.660 8.660 8.399 0.261 19749 884 1 2 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.773 0.457 19749 885 1 2 . 1 1 65 65 PRO C C 65 177.000 177.000 176.219 0.781 19749 886 1 2 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.299 -1.799 19749 887 1 2 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.474 -0.174 19749 888 1 2 . 1 1 66 66 ASP N N 66 124.500 124.500 114.529 9.971 19749 889 1 2 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.602 0.298 19749 890 1 2 . 1 1 66 66 ASP C C 66 177.200 177.200 175.712 1.488 19749 891 1 2 . 1 1 66 66 ASP CA C 66 52.600 52.600 53.541 -0.941 19749 892 1 2 . 1 1 66 66 ASP CB C 66 43.000 43.000 43.110 -0.110 19749 893 1 2 . 1 1 66 66 ASP H H 66 8.650 8.650 7.791 0.859 19749 894 1 2 . 1 1 67 67 GLY N N 67 108.300 108.300 110.498 -2.198 19749 895 1 2 . 1 1 67 67 GLY C C 67 174.700 174.700 174.611 0.089 19749 896 1 2 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.048 0.852 19749 897 1 2 . 1 1 67 67 GLY H H 67 8.420 8.420 8.558 -0.138 19749 898 1 2 . 1 1 68 68 GLU N N 68 120.300 120.300 121.635 -1.335 19749 899 1 2 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.174 0.166 19749 900 1 2 . 1 1 68 68 GLU C C 68 176.100 176.100 175.773 0.327 19749 901 1 2 . 1 1 68 68 GLU CA C 68 56.800 56.800 56.387 0.413 19749 902 1 2 . 1 1 68 68 GLU CB C 68 30.300 30.300 29.861 0.439 19749 903 1 2 . 1 1 68 68 GLU H H 68 8.580 8.580 8.120 0.460 19749 904 1 2 . 1 1 69 69 ASP N N 69 115.000 115.000 117.128 -2.128 19749 905 1 2 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.538 -0.018 19749 906 1 2 . 1 1 69 69 ASP C C 69 175.500 175.500 175.220 0.280 19749 907 1 2 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.419 1.481 19749 908 1 2 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.650 -1.050 19749 909 1 2 . 1 1 69 69 ASP H H 69 8.360 8.360 7.770 0.590 19749 910 1 2 . 1 1 70 70 PHE N N 70 117.200 117.200 115.543 1.657 19749 911 1 2 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.124 -0.134 19749 912 1 2 . 1 1 70 70 PHE C C 70 175.700 175.700 174.385 1.315 19749 913 1 2 . 1 1 70 70 PHE CA C 70 57.600 57.600 54.472 3.128 19749 914 1 2 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.194 0.506 19749 915 1 2 . 1 1 70 70 PHE H H 70 8.120 8.120 6.759 1.361 19749 916 1 2 . 1 1 71 71 LEU N N 71 120.900 120.900 117.499 3.401 19749 917 1 2 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.544 -0.594 19749 918 1 2 . 1 1 71 71 LEU C C 71 175.900 175.900 176.165 -0.265 19749 919 1 2 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.518 0.382 19749 920 1 2 . 1 1 71 71 LEU CB C 71 45.700 45.700 43.652 2.048 19749 921 1 2 . 1 1 71 71 LEU H H 71 9.330 9.330 8.765 0.565 19749 922 1 2 . 1 1 72 72 ALA N N 72 121.500 121.500 125.424 -3.924 19749 923 1 2 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.812 0.398 19749 924 1 2 . 1 1 72 72 ALA C C 72 176.900 176.900 176.404 0.496 19749 925 1 2 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.517 0.983 19749 926 1 2 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.216 2.784 19749 927 1 2 . 1 1 72 72 ALA H H 72 8.670 8.670 8.756 -0.086 19749 928 1 2 . 1 1 73 73 VAL N N 73 122.700 122.700 124.869 -2.169 19749 929 1 2 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.198 0.382 19749 930 1 2 . 1 1 73 73 VAL C C 73 175.100 175.100 175.851 -0.751 19749 931 1 2 . 1 1 73 73 VAL CA C 73 61.800 61.800 62.226 -0.426 19749 932 1 2 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.253 0.547 19749 933 1 2 . 1 1 73 73 VAL H H 73 9.310 9.310 8.047 1.263 19749 934 1 2 . 1 1 74 74 GLN N N 74 128.600 128.600 126.454 2.146 19749 935 1 2 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.554 0.156 19749 936 1 2 . 1 1 74 74 GLN C C 74 175.900 175.900 175.946 -0.046 19749 937 1 2 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.815 0.285 19749 938 1 2 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.596 2.104 19749 939 1 2 . 1 1 74 74 GLN H H 74 9.090 9.090 8.661 0.429 19749 940 1 2 . 1 1 75 75 THR N N 75 117.700 117.700 118.110 -0.410 19749 941 1 2 . 1 1 75 75 THR HA H 75 4.490 4.490 3.988 0.502 19749 942 1 2 . 1 1 75 75 THR C C 75 174.700 174.700 174.624 0.076 19749 943 1 2 . 1 1 75 75 THR CA C 75 62.200 62.200 64.973 -2.773 19749 944 1 2 . 1 1 75 75 THR CB C 75 69.800 69.800 69.548 0.252 19749 945 1 2 . 1 1 75 75 THR H H 75 8.510 8.510 8.444 0.066 19749 946 1 2 . 1 1 76 76 SER N N 76 115.300 115.300 110.118 5.182 19749 947 1 2 . 1 1 76 76 SER HA H 76 4.540 4.540 4.665 -0.125 19749 948 1 2 . 1 1 76 76 SER C C 76 174.200 174.200 174.923 -0.723 19749 949 1 2 . 1 1 76 76 SER CA C 76 58.600 58.600 57.821 0.779 19749 950 1 2 . 1 1 76 76 SER CB C 76 64.200 64.200 64.302 -0.102 19749 951 1 2 . 1 1 76 76 SER H H 76 8.250 8.250 7.950 0.300 19749 952 1 2 . 1 1 77 77 GLN N N 77 120.500 120.500 121.989 -1.489 19749 953 1 2 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.248 -0.028 19749 954 1 2 . 1 1 77 77 GLN C C 77 176.900 176.900 176.454 0.446 19749 955 1 2 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.858 -0.558 19749 956 1 2 . 1 1 77 77 GLN CB C 77 28.900 28.900 29.095 -0.195 19749 957 1 2 . 1 1 77 77 GLN H H 77 8.510 8.510 8.724 -0.214 19749 958 1 2 . 1 1 78 78 GLY N N 78 110.300 110.300 106.612 3.688 19749 959 1 2 . 1 1 78 78 GLY C C 78 173.800 173.800 173.508 0.292 19749 960 1 2 . 1 1 78 78 GLY CA C 78 45.500 45.500 44.842 0.658 19749 961 1 2 . 1 1 78 78 GLY H H 78 8.610 8.610 8.469 0.141 19749 962 1 2 . 1 1 79 79 VAL N N 79 119.500 119.500 117.586 1.914 19749 963 1 2 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.695 -0.145 19749 964 1 2 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.510 0.990 19749 965 1 2 . 1 1 79 79 VAL CB C 79 32.800 32.800 33.047 -0.247 19749 966 1 2 . 1 1 79 79 VAL H H 79 7.400 7.400 7.546 -0.146 19749 967 1 2 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.480 -0.060 19749 968 1 2 . 1 1 80 80 PRO C C 80 176.900 176.900 176.111 0.789 19749 969 1 2 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.053 0.247 19749 970 1 2 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.976 0.324 19749 971 1 2 . 1 1 81 81 VAL N N 81 121.600 121.600 123.914 -2.314 19749 972 1 2 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.085 -0.045 19749 973 1 2 . 1 1 81 81 VAL C C 81 175.800 175.800 175.330 0.470 19749 974 1 2 . 1 1 81 81 VAL CA C 81 63.000 63.000 61.798 1.202 19749 975 1 2 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.575 0.225 19749 976 1 2 . 1 1 81 81 VAL H H 81 8.390 8.390 8.254 0.136 19749 977 1 2 . 1 1 82 82 ARG N N 82 125.400 125.400 128.514 -3.114 19749 978 1 2 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.516 -0.066 19749 979 1 2 . 1 1 82 82 ARG C C 82 173.900 173.900 174.229 -0.329 19749 980 1 2 . 1 1 82 82 ARG CA C 82 55.000 55.000 55.218 -0.218 19749 981 1 2 . 1 1 82 82 ARG CB C 82 32.300 32.300 32.898 -0.598 19749 982 1 2 . 1 1 82 82 ARG H H 82 8.170 8.170 8.635 -0.465 19749 983 1 2 . 1 1 83 83 ARG N N 83 121.200 121.200 122.720 -1.520 19749 984 1 2 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.972 0.358 19749 985 1 2 . 1 1 83 83 ARG C C 83 175.600 175.600 175.336 0.264 19749 986 1 2 . 1 1 83 83 ARG CA C 83 54.500 54.500 54.787 -0.287 19749 987 1 2 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.692 1.808 19749 988 1 2 . 1 1 83 83 ARG H H 83 8.060 8.060 8.110 -0.050 19749 989 1 2 . 1 1 84 84 PHE N N 84 118.600 118.600 117.311 1.289 19749 990 1 2 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.896 0.054 19749 991 1 2 . 1 1 84 84 PHE C C 84 175.200 175.200 175.480 -0.280 19749 992 1 2 . 1 1 84 84 PHE CA C 84 57.100 57.100 57.147 -0.047 19749 993 1 2 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.988 1.512 19749 994 1 2 . 1 1 84 84 PHE H H 84 9.320 9.320 8.512 0.808 19749 995 1 2 . 1 1 85 85 GLN N N 85 120.800 120.800 119.377 1.423 19749 996 1 2 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.566 -0.516 19749 997 1 2 . 1 1 85 85 GLN C C 85 176.000 176.000 176.066 -0.066 19749 998 1 2 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.447 1.953 19749 999 1 2 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.780 -0.480 19749 1000 1 2 . 1 1 85 85 GLN H H 85 9.660 9.660 8.891 0.769 19749 1001 1 2 . 1 1 86 86 THR N N 86 103.000 103.000 108.512 -5.512 19749 1002 1 2 . 1 1 86 86 THR HA H 86 4.810 4.810 4.598 0.212 19749 1003 1 2 . 1 1 86 86 THR C C 86 174.500 174.500 174.618 -0.118 19749 1004 1 2 . 1 1 86 86 THR CA C 86 58.700 58.700 59.803 -1.103 19749 1005 1 2 . 1 1 86 86 THR CB C 86 73.400 73.400 71.593 1.807 19749 1006 1 2 . 1 1 86 86 THR H H 86 7.260 7.260 7.803 -0.543 19749 1007 1 2 . 1 1 87 87 LEU N N 87 122.200 122.200 122.168 0.032 19749 1008 1 2 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.992 -0.162 19749 1009 1 2 . 1 1 87 87 LEU C C 87 178.600 178.600 178.805 -0.205 19749 1010 1 2 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.014 0.086 19749 1011 1 2 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.099 1.301 19749 1012 1 2 . 1 1 87 87 LEU H H 87 9.150 9.150 8.714 0.436 19749 1013 1 2 . 1 1 88 88 GLY N N 88 105.200 105.200 106.745 -1.545 19749 1014 1 2 . 1 1 88 88 GLY C C 88 176.900 176.900 176.036 0.864 19749 1015 1 2 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.050 0.350 19749 1016 1 2 . 1 1 88 88 GLY H H 88 8.870 8.870 8.650 0.220 19749 1017 1 2 . 1 1 89 89 GLU N N 89 122.000 122.000 121.743 0.257 19749 1018 1 2 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.028 -0.098 19749 1019 1 2 . 1 1 89 89 GLU C C 89 177.600 177.600 178.391 -0.791 19749 1020 1 2 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.239 0.661 19749 1021 1 2 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.466 1.534 19749 1022 1 2 . 1 1 89 89 GLU H H 89 7.670 7.670 7.598 0.072 19749 1023 1 2 . 1 1 90 90 LEU N N 90 122.300 122.300 121.279 1.021 19749 1024 1 2 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.822 -0.392 19749 1025 1 2 . 1 1 90 90 LEU C C 90 177.200 177.200 178.068 -0.868 19749 1026 1 2 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.669 1.031 19749 1027 1 2 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.511 0.589 19749 1028 1 2 . 1 1 90 90 LEU H H 90 6.880 6.880 6.951 -0.071 19749 1029 1 2 . 1 1 91 91 ILE N N 91 118.800 118.800 117.003 1.797 19749 1030 1 2 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.459 -0.349 19749 1031 1 2 . 1 1 91 91 ILE C C 91 177.700 177.700 178.424 -0.724 19749 1032 1 2 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.845 -1.445 19749 1033 1 2 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.835 -0.435 19749 1034 1 2 . 1 1 91 91 ILE H H 91 7.880 7.880 7.575 0.305 19749 1035 1 2 . 1 1 92 92 GLY N N 92 103.900 103.900 108.476 -4.576 19749 1036 1 2 . 1 1 92 92 GLY C C 92 176.400 176.400 176.002 0.398 19749 1037 1 2 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.004 -0.204 19749 1038 1 2 . 1 1 92 92 GLY H H 92 7.570 7.570 7.725 -0.155 19749 1039 1 2 . 1 1 93 93 LEU N N 93 123.200 123.200 121.148 2.052 19749 1040 1 2 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.091 -0.011 19749 1041 1 2 . 1 1 93 93 LEU C C 93 179.100 179.100 179.128 -0.028 19749 1042 1 2 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.023 0.377 19749 1043 1 2 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.220 -1.420 19749 1044 1 2 . 1 1 93 93 LEU H H 93 7.360 7.360 7.625 -0.266 19749 1045 1 2 . 1 1 94 94 TYR N N 94 114.000 114.000 116.962 -2.962 19749 1046 1 2 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.239 -0.009 19749 1047 1 2 . 1 1 94 94 TYR C C 94 175.600 175.600 177.515 -1.915 19749 1048 1 2 . 1 1 94 94 TYR CA C 94 60.200 60.200 59.810 0.390 19749 1049 1 2 . 1 1 94 94 TYR CB C 94 36.600 36.600 37.130 -0.530 19749 1050 1 2 . 1 1 94 94 TYR H H 94 7.380 7.380 7.914 -0.534 19749 1051 1 2 . 1 1 95 95 ALA N N 95 123.100 123.100 120.093 3.007 19749 1052 1 2 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.038 0.322 19749 1053 1 2 . 1 1 95 95 ALA C C 95 177.300 177.300 176.984 0.316 19749 1054 1 2 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.805 1.095 19749 1055 1 2 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.107 0.893 19749 1056 1 2 . 1 1 95 95 ALA H H 95 7.330 7.330 7.343 -0.013 19749 1057 1 2 . 1 1 96 96 GLN N N 96 116.500 116.500 119.401 -2.901 19749 1058 1 2 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.713 -0.173 19749 1059 1 2 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.680 0.320 19749 1060 1 2 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.642 -0.042 19749 1061 1 2 . 1 1 96 96 GLN H H 96 7.620 7.620 7.286 0.334 19749 1062 1 2 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.507 -0.267 19749 1063 1 2 . 1 1 97 97 PRO C C 97 176.800 176.800 176.754 0.046 19749 1064 1 2 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.282 0.518 19749 1065 1 2 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.128 0.672 19749 1066 1 2 . 1 1 98 98 ASN N N 98 114.900 114.900 118.334 -3.434 19749 1067 1 2 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.354 0.126 19749 1068 1 2 . 1 1 98 98 ASN C C 98 175.100 175.100 174.499 0.601 19749 1069 1 2 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.519 -0.219 19749 1070 1 2 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.558 -0.658 19749 1071 1 2 . 1 1 98 98 ASN H H 98 8.960 8.960 8.704 0.256 19749 1072 1 2 . 1 1 99 99 GLN N N 99 115.400 115.400 122.683 -7.283 19749 1073 1 2 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.406 0.094 19749 1074 1 2 . 1 1 99 99 GLN C C 99 176.100 176.100 175.374 0.726 19749 1075 1 2 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.196 -0.896 19749 1076 1 2 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.427 0.173 19749 1077 1 2 . 1 1 99 99 GLN H H 99 8.610 8.610 8.435 0.175 19749 1078 1 2 . 1 1 100 100 GLY N N 100 107.400 107.400 106.611 0.789 19749 1079 1 2 . 1 1 100 100 GLY C C 100 174.600 174.600 174.164 0.436 19749 1080 1 2 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.008 0.392 19749 1081 1 2 . 1 1 100 100 GLY H H 100 8.460 8.460 8.278 0.182 19749 1082 1 2 . 1 1 101 101 LEU N N 101 118.400 118.400 121.770 -3.370 19749 1083 1 2 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.542 -0.162 19749 1084 1 2 . 1 1 101 101 LEU C C 101 178.000 178.000 178.564 -0.564 19749 1085 1 2 . 1 1 101 101 LEU CA C 101 52.900 52.900 55.282 -2.382 19749 1086 1 2 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.347 0.053 19749 1087 1 2 . 1 1 101 101 LEU H H 101 8.020 8.020 7.595 0.425 19749 1088 1 2 . 1 1 102 102 VAL N N 102 114.700 114.700 119.950 -5.250 19749 1089 1 2 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.984 -0.394 19749 1090 1 2 . 1 1 102 102 VAL C C 102 173.600 173.600 175.436 -1.836 19749 1091 1 2 . 1 1 102 102 VAL CA C 102 63.600 63.600 60.575 3.025 19749 1092 1 2 . 1 1 102 102 VAL CB C 102 31.100 31.100 29.173 1.927 19749 1093 1 2 . 1 1 102 102 VAL H H 102 7.260 7.260 8.543 -1.283 19749 1094 1 2 . 1 1 103 103 CYS N N 103 112.400 112.400 123.103 -10.703 19749 1095 1 2 . 1 1 103 103 CYS HA H 103 4.240 4.240 3.877 0.363 19749 1096 1 2 . 1 1 103 103 CYS C C 103 170.600 170.600 173.433 -2.833 19749 1097 1 2 . 1 1 103 103 CYS CA C 103 56.100 56.100 59.671 -3.571 19749 1098 1 2 . 1 1 103 103 CYS CB C 103 29.600 29.600 27.962 1.638 19749 1099 1 2 . 1 1 103 103 CYS H H 103 6.920 6.920 7.791 -0.871 19749 1100 1 2 . 1 1 104 104 ALA N N 104 119.600 119.600 122.971 -3.371 19749 1101 1 2 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.227 -0.017 19749 1102 1 2 . 1 1 104 104 ALA C C 104 176.300 176.300 177.069 -0.769 19749 1103 1 2 . 1 1 104 104 ALA CA C 104 51.600 51.600 51.540 0.060 19749 1104 1 2 . 1 1 104 104 ALA CB C 104 19.400 19.400 19.919 -0.519 19749 1105 1 2 . 1 1 104 104 ALA H H 104 7.840 7.840 8.013 -0.173 19749 1106 1 2 . 1 1 105 105 LEU N N 105 117.100 117.100 121.016 -3.916 19749 1107 1 2 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.974 -0.194 19749 1108 1 2 . 1 1 105 105 LEU C C 105 175.400 175.400 176.694 -1.294 19749 1109 1 2 . 1 1 105 105 LEU CA C 105 53.600 53.600 55.075 -1.475 19749 1110 1 2 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.438 -2.038 19749 1111 1 2 . 1 1 105 105 LEU H H 105 7.610 7.610 8.166 -0.556 19749 1112 1 2 . 1 1 106 106 LEU N N 106 124.700 124.700 128.023 -3.323 19749 1113 1 2 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.493 0.107 19749 1114 1 2 . 1 1 106 106 LEU C C 106 177.600 177.600 176.499 1.101 19749 1115 1 2 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.059 0.241 19749 1116 1 2 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.499 2.501 19749 1117 1 2 . 1 1 106 106 LEU H H 106 8.160 8.160 8.568 -0.408 19749 1118 1 2 . 1 1 107 107 LEU N N 107 121.400 121.400 118.446 2.954 19749 1119 1 2 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.980 0.130 19749 1120 1 2 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.194 -0.494 19749 1121 1 2 . 1 1 107 107 LEU CB C 107 44.600 44.600 44.403 0.197 19749 1122 1 2 . 1 1 107 107 LEU H H 107 7.930 7.930 7.911 0.019 19749 1123 1 2 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.270 0.160 19749 1124 1 2 . 1 1 108 108 PRO C C 108 176.500 176.500 176.842 -0.342 19749 1125 1 2 . 1 1 108 108 PRO CA C 108 62.400 62.400 64.657 -2.257 19749 1126 1 2 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.653 1.147 19749 1127 1 3 . 1 1 10 10 HIS C C 10 175.000 175.000 175.637 -0.637 19749 1128 1 3 . 1 1 10 10 HIS CA C 10 55.900 55.900 56.995 -1.095 19749 1129 1 3 . 1 1 10 10 HIS CB C 10 29.900 29.900 30.529 -0.629 19749 1130 1 3 . 1 1 11 11 MET N N 11 120.400 120.400 123.860 -3.460 19749 1131 1 3 . 1 1 11 11 MET HA H 11 4.000 4.000 4.267 -0.267 19749 1132 1 3 . 1 1 11 11 MET C C 11 177.500 177.500 176.049 1.451 19749 1133 1 3 . 1 1 11 11 MET CA C 11 54.100 54.100 56.269 -2.169 19749 1134 1 3 . 1 1 11 11 MET CB C 11 31.500 31.500 33.447 -1.947 19749 1135 1 3 . 1 1 11 11 MET H H 11 7.800 7.800 7.946 -0.146 19749 1136 1 3 . 1 1 12 12 SER N N 12 118.600 118.600 114.150 4.450 19749 1137 1 3 . 1 1 12 12 SER HA H 12 3.860 3.860 4.014 -0.154 19749 1138 1 3 . 1 1 12 12 SER C C 12 173.900 173.900 174.897 -0.997 19749 1139 1 3 . 1 1 12 12 SER CA C 12 61.200 61.200 58.102 3.098 19749 1140 1 3 . 1 1 12 12 SER CB C 12 62.500 62.500 63.820 -1.320 19749 1141 1 3 . 1 1 12 12 SER H H 12 8.520 8.520 8.345 0.175 19749 1142 1 3 . 1 1 13 13 TRP N N 13 113.400 113.400 121.030 -7.630 19749 1143 1 3 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.579 0.311 19749 1144 1 3 . 1 1 13 13 TRP C C 13 176.000 176.000 176.631 -0.631 19749 1145 1 3 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.781 -2.981 19749 1146 1 3 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.536 0.564 19749 1147 1 3 . 1 1 13 13 TRP H H 13 6.180 6.180 7.677 -1.497 19749 1148 1 3 . 1 1 14 14 TYR N N 14 123.200 123.200 124.648 -1.448 19749 1149 1 3 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.208 0.362 19749 1150 1 3 . 1 1 14 14 TYR C C 14 174.700 174.700 174.624 0.076 19749 1151 1 3 . 1 1 14 14 TYR CA C 14 56.000 56.000 57.095 -1.095 19749 1152 1 3 . 1 1 14 14 TYR CB C 14 37.900 37.900 37.192 0.708 19749 1153 1 3 . 1 1 14 14 TYR H H 14 7.430 7.430 7.277 0.153 19749 1154 1 3 . 1 1 15 15 HIS N N 15 126.900 126.900 128.823 -1.923 19749 1155 1 3 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.716 -0.166 19749 1156 1 3 . 1 1 15 15 HIS C C 15 173.300 173.300 174.567 -1.267 19749 1157 1 3 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.544 -1.444 19749 1158 1 3 . 1 1 15 15 HIS CB C 15 30.400 30.400 31.922 -1.522 19749 1159 1 3 . 1 1 15 15 HIS H H 15 8.680 8.680 8.986 -0.306 19749 1160 1 3 . 1 1 16 16 ARG N N 16 122.500 122.500 124.543 -2.043 19749 1161 1 3 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.165 -0.215 19749 1162 1 3 . 1 1 16 16 ARG C C 16 176.100 176.100 175.790 0.310 19749 1163 1 3 . 1 1 16 16 ARG CA C 16 57.300 57.300 56.804 0.496 19749 1164 1 3 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.994 -0.894 19749 1165 1 3 . 1 1 16 16 ARG H H 16 7.740 7.740 8.120 -0.380 19749 1166 1 3 . 1 1 17 17 ASP N N 17 119.100 119.100 120.201 -1.101 19749 1167 1 3 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.489 0.031 19749 1168 1 3 . 1 1 17 17 ASP C C 17 174.900 174.900 176.962 -2.062 19749 1169 1 3 . 1 1 17 17 ASP CA C 17 54.800 54.800 55.350 -0.550 19749 1170 1 3 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.162 -0.262 19749 1171 1 3 . 1 1 17 17 ASP H H 17 8.900 8.900 8.635 0.265 19749 1172 1 3 . 1 1 18 18 LEU N N 18 121.000 121.000 123.810 -2.810 19749 1173 1 3 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.161 0.349 19749 1174 1 3 . 1 1 18 18 LEU C C 18 176.300 176.300 176.703 -0.403 19749 1175 1 3 . 1 1 18 18 LEU CA C 18 54.500 54.500 55.590 -1.090 19749 1176 1 3 . 1 1 18 18 LEU CB C 18 44.800 44.800 42.333 2.467 19749 1177 1 3 . 1 1 18 18 LEU H H 18 7.280 7.280 7.682 -0.402 19749 1178 1 3 . 1 1 19 19 SER N N 19 123.400 123.400 109.605 13.795 19749 1179 1 3 . 1 1 19 19 SER HA H 19 4.440 4.440 4.261 0.179 19749 1180 1 3 . 1 1 19 19 SER C C 19 173.900 173.900 175.168 -1.268 19749 1181 1 3 . 1 1 19 19 SER CA C 19 57.700 57.700 57.789 -0.089 19749 1182 1 3 . 1 1 19 19 SER CB C 19 65.200 65.200 63.523 1.677 19749 1183 1 3 . 1 1 19 19 SER H H 19 8.650 8.650 7.762 0.888 19749 1184 1 3 . 1 1 20 20 ARG N N 20 121.700 121.700 126.098 -4.398 19749 1185 1 3 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.081 -0.371 19749 1186 1 3 . 1 1 20 20 ARG C C 20 178.200 178.200 178.322 -0.122 19749 1187 1 3 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.968 0.631 19749 1188 1 3 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.415 -0.315 19749 1189 1 3 . 1 1 20 20 ARG H H 20 8.970 8.970 8.939 0.031 19749 1190 1 3 . 1 1 21 21 ALA N N 21 119.900 119.900 121.204 -1.304 19749 1191 1 3 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.133 -0.093 19749 1192 1 3 . 1 1 21 21 ALA C C 21 180.600 180.600 179.150 1.450 19749 1193 1 3 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.885 0.315 19749 1194 1 3 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.215 0.085 19749 1195 1 3 . 1 1 21 21 ALA H H 21 8.670 8.670 8.393 0.277 19749 1196 1 3 . 1 1 22 22 ALA N N 22 121.000 121.000 119.969 1.031 19749 1197 1 3 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.052 0.078 19749 1198 1 3 . 1 1 22 22 ALA C C 22 180.900 180.900 179.047 1.853 19749 1199 1 3 . 1 1 22 22 ALA CA C 22 54.700 54.700 53.988 0.712 19749 1200 1 3 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.362 0.638 19749 1201 1 3 . 1 1 22 22 ALA H H 22 7.890 7.890 8.218 -0.328 19749 1202 1 3 . 1 1 23 23 ALA N N 23 121.700 121.700 122.331 -0.631 19749 1203 1 3 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.109 -0.229 19749 1204 1 3 . 1 1 23 23 ALA C C 23 178.700 178.700 179.557 -0.857 19749 1205 1 3 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.156 -0.056 19749 1206 1 3 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.722 0.478 19749 1207 1 3 . 1 1 23 23 ALA H H 23 8.570 8.570 8.311 0.259 19749 1208 1 3 . 1 1 24 24 GLU N N 24 116.500 116.500 118.459 -1.959 19749 1209 1 3 . 1 1 24 24 GLU HA H 24 3.760 3.760 4.066 -0.306 19749 1210 1 3 . 1 1 24 24 GLU C C 24 178.900 178.900 178.780 0.120 19749 1211 1 3 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.206 1.294 19749 1212 1 3 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.056 -0.556 19749 1213 1 3 . 1 1 24 24 GLU H H 24 8.200 8.200 8.174 0.026 19749 1214 1 3 . 1 1 25 25 GLU N N 25 120.000 120.000 120.812 -0.812 19749 1215 1 3 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.090 -0.030 19749 1216 1 3 . 1 1 25 25 GLU C C 25 178.400 178.400 178.478 -0.078 19749 1217 1 3 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.979 0.421 19749 1218 1 3 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.933 -0.433 19749 1219 1 3 . 1 1 25 25 GLU H H 25 7.690 7.690 7.773 -0.083 19749 1220 1 3 . 1 1 26 26 LEU N N 26 120.200 120.200 121.212 -1.012 19749 1221 1 3 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.025 -0.115 19749 1222 1 3 . 1 1 26 26 LEU C C 26 180.200 180.200 178.771 1.429 19749 1223 1 3 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.579 0.621 19749 1224 1 3 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.736 0.664 19749 1225 1 3 . 1 1 26 26 LEU H H 26 7.840 7.840 7.806 0.034 19749 1226 1 3 . 1 1 27 27 LEU N N 27 117.800 117.800 119.535 -1.735 19749 1227 1 3 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.860 0.120 19749 1228 1 3 . 1 1 27 27 LEU C C 27 177.800 177.800 178.998 -1.198 19749 1229 1 3 . 1 1 27 27 LEU CA C 27 57.600 57.600 58.132 -0.532 19749 1230 1 3 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.355 0.545 19749 1231 1 3 . 1 1 27 27 LEU H H 27 7.960 7.960 8.006 -0.046 19749 1232 1 3 . 1 1 28 28 ALA N N 28 120.600 120.600 119.995 0.605 19749 1233 1 3 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.021 -0.121 19749 1234 1 3 . 1 1 28 28 ALA C C 28 180.900 180.900 179.235 1.665 19749 1235 1 3 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.864 0.336 19749 1236 1 3 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.526 -0.626 19749 1237 1 3 . 1 1 28 28 ALA H H 28 8.160 8.160 7.735 0.425 19749 1238 1 3 . 1 1 29 29 ARG N N 29 116.200 116.200 118.106 -1.906 19749 1239 1 3 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.189 -0.229 19749 1240 1 3 . 1 1 29 29 ARG C C 29 178.000 178.000 178.231 -0.231 19749 1241 1 3 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.172 0.428 19749 1242 1 3 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.761 -0.461 19749 1243 1 3 . 1 1 29 29 ARG H H 29 7.760 7.760 8.190 -0.430 19749 1244 1 3 . 1 1 30 30 ALA N N 30 123.200 123.200 119.646 3.554 19749 1245 1 3 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.415 -0.215 19749 1246 1 3 . 1 1 30 30 ALA C C 30 182.000 182.000 178.524 3.476 19749 1247 1 3 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.426 1.474 19749 1248 1 3 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.860 -1.161 19749 1249 1 3 . 1 1 30 30 ALA H H 30 7.580 7.580 7.844 -0.264 19749 1250 1 3 . 1 1 31 31 GLY N N 31 102.400 102.400 107.521 -5.121 19749 1251 1 3 . 1 1 31 31 GLY C C 31 174.800 174.800 174.429 0.371 19749 1252 1 3 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.299 3.801 19749 1253 1 3 . 1 1 31 31 GLY H H 31 7.690 7.690 7.823 -0.133 19749 1254 1 3 . 1 1 32 32 ARG N N 32 121.100 121.100 122.671 -1.571 19749 1255 1 3 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.383 0.077 19749 1256 1 3 . 1 1 32 32 ARG C C 32 176.500 176.500 175.178 1.322 19749 1257 1 3 . 1 1 32 32 ARG CA C 32 55.400 55.400 56.239 -0.839 19749 1258 1 3 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.322 3.278 19749 1259 1 3 . 1 1 32 32 ARG H H 32 7.040 7.040 8.430 -1.390 19749 1260 1 3 . 1 1 33 33 ASP N N 33 126.100 126.100 114.479 11.621 19749 1261 1 3 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.600 0.170 19749 1262 1 3 . 1 1 33 33 ASP C C 33 176.800 176.800 176.201 0.599 19749 1263 1 3 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.248 1.752 19749 1264 1 3 . 1 1 33 33 ASP CB C 33 41.000 41.000 42.946 -1.946 19749 1265 1 3 . 1 1 33 33 ASP H H 33 9.110 9.110 7.727 1.383 19749 1266 1 3 . 1 1 34 34 GLY N N 34 109.400 109.400 109.471 -0.071 19749 1267 1 3 . 1 1 34 34 GLY C C 34 175.800 175.800 174.748 1.052 19749 1268 1 3 . 1 1 34 34 GLY CA C 34 46.000 46.000 46.366 -0.366 19749 1269 1 3 . 1 1 34 34 GLY H H 34 9.440 9.440 8.698 0.742 19749 1270 1 3 . 1 1 35 35 SER N N 35 120.400 120.400 117.884 2.516 19749 1271 1 3 . 1 1 35 35 SER HA H 35 5.990 5.990 5.682 0.308 19749 1272 1 3 . 1 1 35 35 SER C C 35 173.400 173.400 173.790 -0.390 19749 1273 1 3 . 1 1 35 35 SER CA C 35 59.800 59.800 58.500 1.300 19749 1274 1 3 . 1 1 35 35 SER CB C 35 63.700 63.700 64.942 -1.242 19749 1275 1 3 . 1 1 35 35 SER H H 35 8.050 8.050 7.692 0.358 19749 1276 1 3 . 1 1 36 36 PHE N N 36 122.000 122.000 116.724 5.276 19749 1277 1 3 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.863 0.177 19749 1278 1 3 . 1 1 36 36 PHE C C 36 170.900 170.900 173.094 -2.194 19749 1279 1 3 . 1 1 36 36 PHE CA C 36 56.300 56.300 56.316 -0.016 19749 1280 1 3 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.941 1.459 19749 1281 1 3 . 1 1 36 36 PHE H H 36 8.730 8.730 8.598 0.132 19749 1282 1 3 . 1 1 37 37 LEU N N 37 112.500 112.500 114.714 -2.214 19749 1283 1 3 . 1 1 37 37 LEU HA H 37 5.050 5.050 4.893 0.157 19749 1284 1 3 . 1 1 37 37 LEU C C 37 175.100 175.100 174.679 0.421 19749 1285 1 3 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.315 0.185 19749 1286 1 3 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.677 -0.477 19749 1287 1 3 . 1 1 37 37 LEU H H 37 9.000 9.000 8.783 0.217 19749 1288 1 3 . 1 1 38 38 VAL N N 38 120.200 120.200 120.821 -0.621 19749 1289 1 3 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.280 0.200 19749 1290 1 3 . 1 1 38 38 VAL C C 38 173.600 173.600 175.813 -2.213 19749 1291 1 3 . 1 1 38 38 VAL CA C 38 61.200 61.200 61.201 -0.001 19749 1292 1 3 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.109 1.091 19749 1293 1 3 . 1 1 38 38 VAL H H 38 9.830 9.830 8.476 1.354 19749 1294 1 3 . 1 1 39 39 ARG N N 39 124.000 124.000 124.589 -0.589 19749 1295 1 3 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.530 -0.010 19749 1296 1 3 . 1 1 39 39 ARG C C 39 174.700 174.700 174.886 -0.186 19749 1297 1 3 . 1 1 39 39 ARG CA C 39 52.800 52.800 52.958 -0.158 19749 1298 1 3 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.428 0.772 19749 1299 1 3 . 1 1 39 39 ARG H H 39 9.240 9.240 9.357 -0.117 19749 1300 1 3 . 1 1 40 40 ASP N N 40 122.800 122.800 120.005 2.795 19749 1301 1 3 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.066 -0.116 19749 1302 1 3 . 1 1 40 40 ASP C C 40 176.500 176.500 176.176 0.324 19749 1303 1 3 . 1 1 40 40 ASP CA C 40 55.900 55.900 54.123 1.777 19749 1304 1 3 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.163 -1.263 19749 1305 1 3 . 1 1 40 40 ASP H H 40 9.060 9.060 8.607 0.453 19749 1306 1 3 . 1 1 41 41 SER N N 41 113.600 113.600 118.820 -5.220 19749 1307 1 3 . 1 1 41 41 SER HA H 41 4.200 4.200 4.380 -0.180 19749 1308 1 3 . 1 1 41 41 SER C C 41 175.700 175.700 174.874 0.826 19749 1309 1 3 . 1 1 41 41 SER CA C 41 58.400 58.400 58.560 -0.160 19749 1310 1 3 . 1 1 41 41 SER CB C 41 63.900 63.900 63.906 -0.006 19749 1311 1 3 . 1 1 41 41 SER H H 41 7.870 7.870 8.386 -0.516 19749 1312 1 3 . 1 1 42 42 GLU N N 42 127.200 127.200 125.138 2.062 19749 1313 1 3 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.448 -0.058 19749 1314 1 3 . 1 1 42 42 GLU C C 42 176.500 176.500 177.768 -1.268 19749 1315 1 3 . 1 1 42 42 GLU CA C 42 57.700 57.700 57.491 0.209 19749 1316 1 3 . 1 1 42 42 GLU CB C 42 29.500 29.500 30.081 -0.581 19749 1317 1 3 . 1 1 42 42 GLU H H 42 9.600 9.600 8.943 0.657 19749 1318 1 3 . 1 1 43 43 SER N N 43 113.400 113.400 115.029 -1.629 19749 1319 1 3 . 1 1 43 43 SER HA H 43 4.590 4.590 4.298 0.292 19749 1320 1 3 . 1 1 43 43 SER C C 43 174.000 174.000 175.326 -1.326 19749 1321 1 3 . 1 1 43 43 SER CA C 43 59.400 59.400 60.252 -0.852 19749 1322 1 3 . 1 1 43 43 SER CB C 43 65.100 65.100 63.750 1.350 19749 1323 1 3 . 1 1 43 43 SER H H 43 8.110 8.110 8.324 -0.214 19749 1324 1 3 . 1 1 44 44 VAL N N 44 123.200 123.200 121.669 1.531 19749 1325 1 3 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.176 -0.036 19749 1326 1 3 . 1 1 44 44 VAL C C 44 174.800 174.800 174.186 0.614 19749 1327 1 3 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.147 0.553 19749 1328 1 3 . 1 1 44 44 VAL CB C 44 33.700 33.700 34.074 -0.374 19749 1329 1 3 . 1 1 44 44 VAL H H 44 7.620 7.620 7.455 0.165 19749 1330 1 3 . 1 1 45 45 ALA N N 45 130.900 130.900 130.364 0.536 19749 1331 1 3 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.289 -0.139 19749 1332 1 3 . 1 1 45 45 ALA C C 45 178.700 178.700 178.620 0.080 19749 1333 1 3 . 1 1 45 45 ALA CA C 45 53.700 53.700 53.323 0.377 19749 1334 1 3 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.863 -0.763 19749 1335 1 3 . 1 1 45 45 ALA H H 45 8.480 8.480 8.549 -0.069 19749 1336 1 3 . 1 1 46 46 GLY N N 46 111.400 111.400 110.196 1.204 19749 1337 1 3 . 1 1 46 46 GLY C C 46 171.700 171.700 173.658 -1.958 19749 1338 1 3 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.609 0.791 19749 1339 1 3 . 1 1 46 46 GLY H H 46 8.600 8.600 8.494 0.106 19749 1340 1 3 . 1 1 47 47 ALA N N 47 117.600 117.600 122.469 -4.869 19749 1341 1 3 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.277 0.603 19749 1342 1 3 . 1 1 47 47 ALA C C 47 177.200 177.200 175.001 2.199 19749 1343 1 3 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.713 -0.913 19749 1344 1 3 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.273 0.427 19749 1345 1 3 . 1 1 47 47 ALA H H 47 7.340 7.340 7.229 0.111 19749 1346 1 3 . 1 1 48 48 PHE N N 48 117.100 117.100 116.293 0.807 19749 1347 1 3 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.491 -0.121 19749 1348 1 3 . 1 1 48 48 PHE C C 48 174.100 174.100 174.056 0.044 19749 1349 1 3 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.216 0.284 19749 1350 1 3 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.974 -0.073 19749 1351 1 3 . 1 1 48 48 PHE H H 48 9.160 9.160 8.657 0.503 19749 1352 1 3 . 1 1 49 49 ALA N N 49 125.600 125.600 120.339 5.261 19749 1353 1 3 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.150 0.040 19749 1354 1 3 . 1 1 49 49 ALA C C 49 174.900 174.900 174.944 -0.044 19749 1355 1 3 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.549 0.651 19749 1356 1 3 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.866 -2.466 19749 1357 1 3 . 1 1 49 49 ALA H H 49 9.630 9.630 9.162 0.468 19749 1358 1 3 . 1 1 50 50 LEU N N 50 127.100 127.100 122.665 4.435 19749 1359 1 3 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.530 -0.460 19749 1360 1 3 . 1 1 50 50 LEU C C 50 174.500 174.500 175.150 -0.650 19749 1361 1 3 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.849 0.151 19749 1362 1 3 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.738 -1.838 19749 1363 1 3 . 1 1 50 50 LEU H H 50 9.350 9.350 8.466 0.884 19749 1364 1 3 . 1 1 51 51 CYS N N 51 127.300 127.300 128.015 -0.715 19749 1365 1 3 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.145 0.265 19749 1366 1 3 . 1 1 51 51 CYS C C 51 173.000 173.000 173.738 -0.738 19749 1367 1 3 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.680 0.520 19749 1368 1 3 . 1 1 51 51 CYS CB C 51 30.400 30.400 27.680 2.720 19749 1369 1 3 . 1 1 51 51 CYS H H 51 9.300 9.300 9.260 0.040 19749 1370 1 3 . 1 1 52 52 VAL N N 52 123.100 123.100 125.222 -2.122 19749 1371 1 3 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.014 0.146 19749 1372 1 3 . 1 1 52 52 VAL C C 52 173.800 173.800 174.152 -0.352 19749 1373 1 3 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.837 -0.937 19749 1374 1 3 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.984 1.316 19749 1375 1 3 . 1 1 52 52 VAL H H 52 9.460 9.460 8.855 0.605 19749 1376 1 3 . 1 1 53 53 LEU N N 53 130.700 130.700 128.894 1.806 19749 1377 1 3 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.274 -0.294 19749 1378 1 3 . 1 1 53 53 LEU C C 53 175.200 175.200 174.073 1.127 19749 1379 1 3 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.634 0.366 19749 1380 1 3 . 1 1 53 53 LEU CB C 53 45.300 45.300 45.153 0.147 19749 1381 1 3 . 1 1 53 53 LEU H H 53 9.320 9.320 8.944 0.376 19749 1382 1 3 . 1 1 54 54 TYR N N 54 125.700 125.700 126.610 -0.910 19749 1383 1 3 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.853 0.057 19749 1384 1 3 . 1 1 54 54 TYR C C 54 175.400 175.400 174.811 0.589 19749 1385 1 3 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.483 1.217 19749 1386 1 3 . 1 1 54 54 TYR CB C 54 41.700 41.700 41.304 0.396 19749 1387 1 3 . 1 1 54 54 TYR H H 54 9.260 9.260 8.700 0.560 19749 1388 1 3 . 1 1 55 55 GLN N N 55 129.900 129.900 127.265 2.635 19749 1389 1 3 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.827 -0.127 19749 1390 1 3 . 1 1 55 55 GLN C C 55 175.900 175.900 175.358 0.542 19749 1391 1 3 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.985 -0.285 19749 1392 1 3 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.562 -0.962 19749 1393 1 3 . 1 1 55 55 GLN H H 55 9.750 9.750 8.624 1.126 19749 1394 1 3 . 1 1 56 56 LYS N N 56 107.600 107.600 114.469 -6.869 19749 1395 1 3 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.860 -0.420 19749 1396 1 3 . 1 1 56 56 LYS C C 56 174.800 174.800 174.921 -0.121 19749 1397 1 3 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.753 0.647 19749 1398 1 3 . 1 1 56 56 LYS CB C 56 29.800 29.800 32.206 -2.406 19749 1399 1 3 . 1 1 56 56 LYS H H 56 8.920 8.920 8.616 0.304 19749 1400 1 3 . 1 1 57 57 HIS N N 57 118.200 118.200 119.240 -1.040 19749 1401 1 3 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.772 0.128 19749 1402 1 3 . 1 1 57 57 HIS C C 57 173.400 173.400 173.813 -0.413 19749 1403 1 3 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.830 -0.530 19749 1404 1 3 . 1 1 57 57 HIS CB C 57 31.900 31.900 30.662 1.238 19749 1405 1 3 . 1 1 57 57 HIS H H 57 7.980 7.980 7.661 0.319 19749 1406 1 3 . 1 1 58 58 VAL N N 58 124.500 124.500 128.255 -3.755 19749 1407 1 3 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.782 -0.442 19749 1408 1 3 . 1 1 58 58 VAL C C 58 175.700 175.700 175.626 0.074 19749 1409 1 3 . 1 1 58 58 VAL CA C 58 63.100 63.100 62.263 0.837 19749 1410 1 3 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.695 -0.695 19749 1411 1 3 . 1 1 58 58 VAL H H 58 8.800 8.800 8.374 0.426 19749 1412 1 3 . 1 1 59 59 HIS N N 59 132.200 132.200 127.949 4.251 19749 1413 1 3 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.846 -0.326 19749 1414 1 3 . 1 1 59 59 HIS C C 59 174.100 174.100 173.723 0.377 19749 1415 1 3 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.825 0.875 19749 1416 1 3 . 1 1 59 59 HIS CB C 59 32.200 32.200 32.737 -0.537 19749 1417 1 3 . 1 1 59 59 HIS H H 59 9.830 9.830 9.292 0.538 19749 1418 1 3 . 1 1 60 60 THR N N 60 119.300 119.300 123.747 -4.447 19749 1419 1 3 . 1 1 60 60 THR HA H 60 5.280 5.280 5.336 -0.056 19749 1420 1 3 . 1 1 60 60 THR C C 60 173.700 173.700 173.569 0.131 19749 1421 1 3 . 1 1 60 60 THR CA C 60 62.100 62.100 61.320 0.780 19749 1422 1 3 . 1 1 60 60 THR CB C 60 70.300 70.300 70.280 0.020 19749 1423 1 3 . 1 1 60 60 THR H H 60 8.420 8.420 8.315 0.105 19749 1424 1 3 . 1 1 61 61 TYR N N 61 127.000 127.000 125.206 1.794 19749 1425 1 3 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.879 -0.079 19749 1426 1 3 . 1 1 61 61 TYR C C 61 175.000 175.000 175.498 -0.498 19749 1427 1 3 . 1 1 61 61 TYR CA C 61 56.500 56.500 57.511 -1.010 19749 1428 1 3 . 1 1 61 61 TYR CB C 61 40.900 40.900 41.227 -0.327 19749 1429 1 3 . 1 1 61 61 TYR H H 61 9.810 9.810 9.148 0.662 19749 1430 1 3 . 1 1 62 62 ARG N N 62 124.200 124.200 119.424 4.776 19749 1431 1 3 . 1 1 62 62 ARG HA H 62 4.710 4.710 5.050 -0.340 19749 1432 1 3 . 1 1 62 62 ARG C C 62 175.000 175.000 175.230 -0.230 19749 1433 1 3 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.616 1.284 19749 1434 1 3 . 1 1 62 62 ARG CB C 62 31.500 31.500 33.116 -1.616 19749 1435 1 3 . 1 1 62 62 ARG H H 62 9.240 9.240 9.035 0.205 19749 1436 1 3 . 1 1 63 63 ILE N N 63 124.100 124.100 121.175 2.925 19749 1437 1 3 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.420 0.340 19749 1438 1 3 . 1 1 63 63 ILE C C 63 174.900 174.900 173.994 0.906 19749 1439 1 3 . 1 1 63 63 ILE CA C 63 60.500 60.500 61.179 -0.680 19749 1440 1 3 . 1 1 63 63 ILE CB C 63 39.600 39.600 39.991 -0.391 19749 1441 1 3 . 1 1 63 63 ILE H H 63 8.810 8.810 8.276 0.534 19749 1442 1 3 . 1 1 64 64 LEU N N 64 126.200 126.200 127.600 -1.400 19749 1443 1 3 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.999 0.201 19749 1444 1 3 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.616 -0.016 19749 1445 1 3 . 1 1 64 64 LEU CB C 64 44.200 44.200 41.591 2.609 19749 1446 1 3 . 1 1 64 64 LEU H H 64 8.660 8.660 8.631 0.029 19749 1447 1 3 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.340 0.890 19749 1448 1 3 . 1 1 65 65 PRO C C 65 177.000 177.000 176.961 0.039 19749 1449 1 3 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.639 -2.139 19749 1450 1 3 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.145 0.154 19749 1451 1 3 . 1 1 66 66 ASP N N 66 124.500 124.500 117.262 7.238 19749 1452 1 3 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.430 0.470 19749 1453 1 3 . 1 1 66 66 ASP C C 66 177.200 177.200 176.454 0.746 19749 1454 1 3 . 1 1 66 66 ASP CA C 66 52.600 52.600 55.234 -2.634 19749 1455 1 3 . 1 1 66 66 ASP CB C 66 43.000 43.000 40.202 2.798 19749 1456 1 3 . 1 1 66 66 ASP H H 66 8.650 8.650 8.617 0.033 19749 1457 1 3 . 1 1 67 67 GLY N N 67 108.300 108.300 110.486 -2.186 19749 1458 1 3 . 1 1 67 67 GLY C C 67 174.700 174.700 173.424 1.276 19749 1459 1 3 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.415 0.485 19749 1460 1 3 . 1 1 67 67 GLY H H 67 8.420 8.420 8.277 0.143 19749 1461 1 3 . 1 1 68 68 GLU N N 68 120.300 120.300 118.494 1.806 19749 1462 1 3 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.219 0.121 19749 1463 1 3 . 1 1 68 68 GLU C C 68 176.100 176.100 175.075 1.025 19749 1464 1 3 . 1 1 68 68 GLU CA C 68 56.800 56.800 56.684 0.116 19749 1465 1 3 . 1 1 68 68 GLU CB C 68 30.300 30.300 30.070 0.230 19749 1466 1 3 . 1 1 68 68 GLU H H 68 8.580 8.580 8.768 -0.188 19749 1467 1 3 . 1 1 69 69 ASP N N 69 115.000 115.000 118.694 -3.694 19749 1468 1 3 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.635 -0.115 19749 1469 1 3 . 1 1 69 69 ASP C C 69 175.500 175.500 174.963 0.537 19749 1470 1 3 . 1 1 69 69 ASP CA C 69 55.900 55.900 53.544 2.356 19749 1471 1 3 . 1 1 69 69 ASP CB C 69 40.600 40.600 40.995 -0.395 19749 1472 1 3 . 1 1 69 69 ASP H H 69 8.360 8.360 8.242 0.118 19749 1473 1 3 . 1 1 70 70 PHE N N 70 117.200 117.200 118.967 -1.767 19749 1474 1 3 . 1 1 70 70 PHE HA H 70 4.990 4.990 4.816 0.174 19749 1475 1 3 . 1 1 70 70 PHE C C 70 175.700 175.700 174.941 0.759 19749 1476 1 3 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.365 1.235 19749 1477 1 3 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.897 -0.197 19749 1478 1 3 . 1 1 70 70 PHE H H 70 8.120 8.120 7.456 0.664 19749 1479 1 3 . 1 1 71 71 LEU N N 71 120.900 120.900 117.541 3.359 19749 1480 1 3 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.464 -0.514 19749 1481 1 3 . 1 1 71 71 LEU C C 71 175.900 175.900 175.535 0.365 19749 1482 1 3 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.432 0.468 19749 1483 1 3 . 1 1 71 71 LEU CB C 71 45.700 45.700 44.239 1.461 19749 1484 1 3 . 1 1 71 71 LEU H H 71 9.330 9.330 8.909 0.421 19749 1485 1 3 . 1 1 72 72 ALA N N 72 121.500 121.500 127.533 -6.033 19749 1486 1 3 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.856 0.354 19749 1487 1 3 . 1 1 72 72 ALA C C 72 176.900 176.900 176.265 0.635 19749 1488 1 3 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.581 0.919 19749 1489 1 3 . 1 1 72 72 ALA CB C 72 23.000 23.000 19.691 3.309 19749 1490 1 3 . 1 1 72 72 ALA H H 72 8.670 8.670 8.755 -0.085 19749 1491 1 3 . 1 1 73 73 VAL N N 73 122.700 122.700 124.631 -1.931 19749 1492 1 3 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.236 0.344 19749 1493 1 3 . 1 1 73 73 VAL C C 73 175.100 175.100 176.508 -1.408 19749 1494 1 3 . 1 1 73 73 VAL CA C 73 61.800 61.800 62.156 -0.356 19749 1495 1 3 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.044 0.756 19749 1496 1 3 . 1 1 73 73 VAL H H 73 9.310 9.310 7.980 1.330 19749 1497 1 3 . 1 1 74 74 GLN N N 74 128.600 128.600 127.085 1.515 19749 1498 1 3 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.672 0.038 19749 1499 1 3 . 1 1 74 74 GLN C C 74 175.900 175.900 175.669 0.231 19749 1500 1 3 . 1 1 74 74 GLN CA C 74 55.100 55.100 53.968 1.132 19749 1501 1 3 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.642 2.058 19749 1502 1 3 . 1 1 74 74 GLN H H 74 9.090 9.090 8.524 0.566 19749 1503 1 3 . 1 1 75 75 THR N N 75 117.700 117.700 117.083 0.617 19749 1504 1 3 . 1 1 75 75 THR HA H 75 4.490 4.490 4.527 -0.037 19749 1505 1 3 . 1 1 75 75 THR C C 75 174.700 174.700 174.452 0.248 19749 1506 1 3 . 1 1 75 75 THR CA C 75 62.200 62.200 62.032 0.168 19749 1507 1 3 . 1 1 75 75 THR CB C 75 69.800 69.800 69.474 0.326 19749 1508 1 3 . 1 1 75 75 THR H H 75 8.510 8.510 7.998 0.512 19749 1509 1 3 . 1 1 76 76 SER N N 76 115.300 115.300 117.258 -1.958 19749 1510 1 3 . 1 1 76 76 SER HA H 76 4.540 4.540 4.376 0.164 19749 1511 1 3 . 1 1 76 76 SER C C 76 174.200 174.200 174.605 -0.405 19749 1512 1 3 . 1 1 76 76 SER CA C 76 58.600 58.600 59.192 -0.592 19749 1513 1 3 . 1 1 76 76 SER CB C 76 64.200 64.200 63.002 1.198 19749 1514 1 3 . 1 1 76 76 SER H H 76 8.250 8.250 8.860 -0.610 19749 1515 1 3 . 1 1 77 77 GLN N N 77 120.500 120.500 127.968 -7.468 19749 1516 1 3 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.147 0.073 19749 1517 1 3 . 1 1 77 77 GLN C C 77 176.900 176.900 176.636 0.264 19749 1518 1 3 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.157 0.143 19749 1519 1 3 . 1 1 77 77 GLN CB C 77 28.900 28.900 27.489 1.411 19749 1520 1 3 . 1 1 77 77 GLN H H 77 8.510 8.510 8.827 -0.317 19749 1521 1 3 . 1 1 78 78 GLY N N 78 110.300 110.300 111.114 -0.814 19749 1522 1 3 . 1 1 78 78 GLY C C 78 173.800 173.800 173.373 0.427 19749 1523 1 3 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.063 0.437 19749 1524 1 3 . 1 1 78 78 GLY H H 78 8.610 8.610 8.575 0.035 19749 1525 1 3 . 1 1 79 79 VAL N N 79 119.500 119.500 119.459 0.041 19749 1526 1 3 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.688 -0.138 19749 1527 1 3 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.484 1.016 19749 1528 1 3 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.416 0.384 19749 1529 1 3 . 1 1 79 79 VAL H H 79 7.400 7.400 7.704 -0.304 19749 1530 1 3 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.419 0.001 19749 1531 1 3 . 1 1 80 80 PRO C C 80 176.900 176.900 176.272 0.628 19749 1532 1 3 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.837 0.463 19749 1533 1 3 . 1 1 80 80 PRO CB C 80 32.300 32.300 32.210 0.090 19749 1534 1 3 . 1 1 81 81 VAL N N 81 121.600 121.600 123.395 -1.795 19749 1535 1 3 . 1 1 81 81 VAL HA H 81 4.040 4.040 3.905 0.135 19749 1536 1 3 . 1 1 81 81 VAL C C 81 175.800 175.800 176.350 -0.550 19749 1537 1 3 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.831 0.169 19749 1538 1 3 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.043 0.757 19749 1539 1 3 . 1 1 81 81 VAL H H 81 8.390 8.390 8.237 0.153 19749 1540 1 3 . 1 1 82 82 ARG N N 82 125.400 125.400 129.893 -4.493 19749 1541 1 3 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.520 -0.070 19749 1542 1 3 . 1 1 82 82 ARG C C 82 173.900 173.900 174.293 -0.393 19749 1543 1 3 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.352 0.648 19749 1544 1 3 . 1 1 82 82 ARG CB C 82 32.300 32.300 32.372 -0.072 19749 1545 1 3 . 1 1 82 82 ARG H H 82 8.170 8.170 8.143 0.027 19749 1546 1 3 . 1 1 83 83 ARG N N 83 121.200 121.200 123.181 -1.981 19749 1547 1 3 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.588 0.742 19749 1548 1 3 . 1 1 83 83 ARG C C 83 175.600 175.600 174.840 0.760 19749 1549 1 3 . 1 1 83 83 ARG CA C 83 54.500 54.500 54.791 -0.291 19749 1550 1 3 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.266 2.234 19749 1551 1 3 . 1 1 83 83 ARG H H 83 8.060 8.060 8.195 -0.135 19749 1552 1 3 . 1 1 84 84 PHE N N 84 118.600 118.600 117.835 0.765 19749 1553 1 3 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.840 0.110 19749 1554 1 3 . 1 1 84 84 PHE C C 84 175.200 175.200 175.971 -0.771 19749 1555 1 3 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.735 0.365 19749 1556 1 3 . 1 1 84 84 PHE CB C 84 44.500 44.500 43.129 1.371 19749 1557 1 3 . 1 1 84 84 PHE H H 84 9.320 9.320 8.675 0.645 19749 1558 1 3 . 1 1 85 85 GLN N N 85 120.800 120.800 119.459 1.341 19749 1559 1 3 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.802 -0.752 19749 1560 1 3 . 1 1 85 85 GLN C C 85 176.000 176.000 176.347 -0.347 19749 1561 1 3 . 1 1 85 85 GLN CA C 85 58.400 58.400 57.335 1.065 19749 1562 1 3 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.393 -0.093 19749 1563 1 3 . 1 1 85 85 GLN H H 85 9.660 9.660 9.178 0.482 19749 1564 1 3 . 1 1 86 86 THR N N 86 103.000 103.000 113.617 -10.617 19749 1565 1 3 . 1 1 86 86 THR HA H 86 4.810 4.810 4.554 0.256 19749 1566 1 3 . 1 1 86 86 THR C C 86 174.500 174.500 174.359 0.141 19749 1567 1 3 . 1 1 86 86 THR CA C 86 58.700 58.700 60.330 -1.630 19749 1568 1 3 . 1 1 86 86 THR CB C 86 73.400 73.400 71.082 2.318 19749 1569 1 3 . 1 1 86 86 THR H H 86 7.260 7.260 7.858 -0.598 19749 1570 1 3 . 1 1 87 87 LEU N N 87 122.200 122.200 124.674 -2.474 19749 1571 1 3 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.900 -0.070 19749 1572 1 3 . 1 1 87 87 LEU C C 87 178.600 178.600 177.923 0.677 19749 1573 1 3 . 1 1 87 87 LEU CA C 87 57.100 57.100 56.996 0.104 19749 1574 1 3 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.971 0.429 19749 1575 1 3 . 1 1 87 87 LEU H H 87 9.150 9.150 8.677 0.473 19749 1576 1 3 . 1 1 88 88 GLY N N 88 105.200 105.200 105.767 -0.567 19749 1577 1 3 . 1 1 88 88 GLY C C 88 176.900 176.900 175.780 1.120 19749 1578 1 3 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.060 0.340 19749 1579 1 3 . 1 1 88 88 GLY H H 88 8.870 8.870 7.840 1.030 19749 1580 1 3 . 1 1 89 89 GLU N N 89 122.000 122.000 120.604 1.396 19749 1581 1 3 . 1 1 89 89 GLU HA H 89 3.930 3.930 3.969 -0.039 19749 1582 1 3 . 1 1 89 89 GLU C C 89 177.600 177.600 178.487 -0.887 19749 1583 1 3 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.199 0.701 19749 1584 1 3 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.363 1.637 19749 1585 1 3 . 1 1 89 89 GLU H H 89 7.670 7.670 7.622 0.048 19749 1586 1 3 . 1 1 90 90 LEU N N 90 122.300 122.300 120.298 2.002 19749 1587 1 3 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.517 -0.087 19749 1588 1 3 . 1 1 90 90 LEU C C 90 177.200 177.200 177.752 -0.552 19749 1589 1 3 . 1 1 90 90 LEU CA C 90 58.700 58.700 56.720 1.980 19749 1590 1 3 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.260 0.841 19749 1591 1 3 . 1 1 90 90 LEU H H 90 6.880 6.880 6.622 0.258 19749 1592 1 3 . 1 1 91 91 ILE N N 91 118.800 118.800 117.620 1.180 19749 1593 1 3 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.505 -0.395 19749 1594 1 3 . 1 1 91 91 ILE C C 91 177.700 177.700 178.192 -0.492 19749 1595 1 3 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.186 -0.786 19749 1596 1 3 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.358 -0.958 19749 1597 1 3 . 1 1 91 91 ILE H H 91 7.880 7.880 7.238 0.642 19749 1598 1 3 . 1 1 92 92 GLY N N 92 103.900 103.900 108.128 -4.228 19749 1599 1 3 . 1 1 92 92 GLY C C 92 176.400 176.400 175.534 0.866 19749 1600 1 3 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.678 0.122 19749 1601 1 3 . 1 1 92 92 GLY H H 92 7.570 7.570 7.459 0.111 19749 1602 1 3 . 1 1 93 93 LEU N N 93 123.200 123.200 121.580 1.620 19749 1603 1 3 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.214 -0.134 19749 1604 1 3 . 1 1 93 93 LEU C C 93 179.100 179.100 178.669 0.431 19749 1605 1 3 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.389 0.011 19749 1606 1 3 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.872 -2.072 19749 1607 1 3 . 1 1 93 93 LEU H H 93 7.360 7.360 7.510 -0.150 19749 1608 1 3 . 1 1 94 94 TYR N N 94 114.000 114.000 116.997 -2.997 19749 1609 1 3 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.383 -0.153 19749 1610 1 3 . 1 1 94 94 TYR C C 94 175.600 175.600 177.051 -1.451 19749 1611 1 3 . 1 1 94 94 TYR CA C 94 60.200 60.200 57.538 2.662 19749 1612 1 3 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.940 -0.340 19749 1613 1 3 . 1 1 94 94 TYR H H 94 7.380 7.380 7.840 -0.460 19749 1614 1 3 . 1 1 95 95 ALA N N 95 123.100 123.100 119.838 3.262 19749 1615 1 3 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.220 0.140 19749 1616 1 3 . 1 1 95 95 ALA C C 95 177.300 177.300 177.215 0.085 19749 1617 1 3 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.166 1.734 19749 1618 1 3 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.443 0.557 19749 1619 1 3 . 1 1 95 95 ALA H H 95 7.330 7.330 7.234 0.096 19749 1620 1 3 . 1 1 96 96 GLN N N 96 116.500 116.500 119.329 -2.829 19749 1621 1 3 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.620 -0.080 19749 1622 1 3 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.958 0.042 19749 1623 1 3 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.830 -0.230 19749 1624 1 3 . 1 1 96 96 GLN H H 96 7.620 7.620 7.244 0.376 19749 1625 1 3 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.310 -0.070 19749 1626 1 3 . 1 1 97 97 PRO C C 97 176.800 176.800 177.239 -0.439 19749 1627 1 3 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.972 -0.172 19749 1628 1 3 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.264 0.536 19749 1629 1 3 . 1 1 98 98 ASN N N 98 114.900 114.900 116.451 -1.551 19749 1630 1 3 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.290 0.190 19749 1631 1 3 . 1 1 98 98 ASN C C 98 175.100 175.100 174.641 0.459 19749 1632 1 3 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.481 -0.181 19749 1633 1 3 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.508 -0.608 19749 1634 1 3 . 1 1 98 98 ASN H H 98 8.960 8.960 8.765 0.195 19749 1635 1 3 . 1 1 99 99 GLN N N 99 115.400 115.400 116.501 -1.101 19749 1636 1 3 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.315 0.185 19749 1637 1 3 . 1 1 99 99 GLN C C 99 176.100 176.100 176.012 0.088 19749 1638 1 3 . 1 1 99 99 GLN CA C 99 54.300 54.300 54.909 -0.609 19749 1639 1 3 . 1 1 99 99 GLN CB C 99 29.600 29.600 28.942 0.658 19749 1640 1 3 . 1 1 99 99 GLN H H 99 8.610 8.610 8.309 0.301 19749 1641 1 3 . 1 1 100 100 GLY N N 100 107.400 107.400 107.007 0.393 19749 1642 1 3 . 1 1 100 100 GLY C C 100 174.600 174.600 173.999 0.601 19749 1643 1 3 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.134 0.266 19749 1644 1 3 . 1 1 100 100 GLY H H 100 8.460 8.460 8.038 0.422 19749 1645 1 3 . 1 1 101 101 LEU N N 101 118.400 118.400 121.570 -3.170 19749 1646 1 3 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.422 -0.042 19749 1647 1 3 . 1 1 101 101 LEU C C 101 178.000 178.000 178.523 -0.523 19749 1648 1 3 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.839 -1.939 19749 1649 1 3 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.421 -0.021 19749 1650 1 3 . 1 1 101 101 LEU H H 101 8.020 8.020 7.665 0.355 19749 1651 1 3 . 1 1 102 102 VAL N N 102 114.700 114.700 118.642 -3.942 19749 1652 1 3 . 1 1 102 102 VAL HA H 102 3.590 3.590 4.081 -0.491 19749 1653 1 3 . 1 1 102 102 VAL C C 102 173.600 173.600 175.854 -2.254 19749 1654 1 3 . 1 1 102 102 VAL CA C 102 63.600 63.600 61.248 2.352 19749 1655 1 3 . 1 1 102 102 VAL CB C 102 31.100 31.100 30.029 1.071 19749 1656 1 3 . 1 1 102 102 VAL H H 102 7.260 7.260 8.409 -1.149 19749 1657 1 3 . 1 1 103 103 CYS N N 103 112.400 112.400 122.829 -10.429 19749 1658 1 3 . 1 1 103 103 CYS HA H 103 4.240 4.240 3.791 0.449 19749 1659 1 3 . 1 1 103 103 CYS C C 103 170.600 170.600 173.546 -2.946 19749 1660 1 3 . 1 1 103 103 CYS CA C 103 56.100 56.100 59.472 -3.372 19749 1661 1 3 . 1 1 103 103 CYS CB C 103 29.600 29.600 25.178 4.421 19749 1662 1 3 . 1 1 103 103 CYS H H 103 6.920 6.920 8.066 -1.146 19749 1663 1 3 . 1 1 104 104 ALA N N 104 119.600 119.600 116.754 2.846 19749 1664 1 3 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.069 0.141 19749 1665 1 3 . 1 1 104 104 ALA C C 104 176.300 176.300 176.123 0.177 19749 1666 1 3 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.353 -0.753 19749 1667 1 3 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.456 0.944 19749 1668 1 3 . 1 1 104 104 ALA H H 104 7.840 7.840 7.424 0.416 19749 1669 1 3 . 1 1 105 105 LEU N N 105 117.100 117.100 120.357 -3.257 19749 1670 1 3 . 1 1 105 105 LEU HA H 105 3.780 3.780 4.003 -0.223 19749 1671 1 3 . 1 1 105 105 LEU C C 105 175.400 175.400 176.824 -1.424 19749 1672 1 3 . 1 1 105 105 LEU CA C 105 53.600 53.600 55.400 -1.800 19749 1673 1 3 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.902 -2.502 19749 1674 1 3 . 1 1 105 105 LEU H H 105 7.610 7.610 7.928 -0.318 19749 1675 1 3 . 1 1 106 106 LEU N N 106 124.700 124.700 126.089 -1.389 19749 1676 1 3 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.566 0.034 19749 1677 1 3 . 1 1 106 106 LEU C C 106 177.600 177.600 177.308 0.292 19749 1678 1 3 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.893 0.407 19749 1679 1 3 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.082 2.918 19749 1680 1 3 . 1 1 106 106 LEU H H 106 8.160 8.160 8.538 -0.378 19749 1681 1 3 . 1 1 107 107 LEU N N 107 121.400 121.400 119.294 2.106 19749 1682 1 3 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.969 0.141 19749 1683 1 3 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.227 -0.527 19749 1684 1 3 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.163 1.437 19749 1685 1 3 . 1 1 107 107 LEU H H 107 7.930 7.930 7.852 0.078 19749 1686 1 3 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.772 -0.342 19749 1687 1 3 . 1 1 108 108 PRO C C 108 176.500 176.500 175.944 0.556 19749 1688 1 3 . 1 1 108 108 PRO CA C 108 62.400 62.400 62.224 0.176 19749 1689 1 3 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.822 0.978 19749 1690 1 4 . 1 1 10 10 HIS C C 10 175.000 175.000 174.593 0.407 19749 1691 1 4 . 1 1 10 10 HIS CA C 10 55.900 55.900 56.036 -0.136 19749 1692 1 4 . 1 1 10 10 HIS CB C 10 29.900 29.900 29.924 -0.024 19749 1693 1 4 . 1 1 11 11 MET N N 11 120.400 120.400 128.085 -7.685 19749 1694 1 4 . 1 1 11 11 MET HA H 11 4.000 4.000 4.423 -0.423 19749 1695 1 4 . 1 1 11 11 MET C C 11 177.500 177.500 175.149 2.351 19749 1696 1 4 . 1 1 11 11 MET CA C 11 54.100 54.100 54.507 -0.407 19749 1697 1 4 . 1 1 11 11 MET CB C 11 31.500 31.500 30.288 1.212 19749 1698 1 4 . 1 1 11 11 MET H H 11 7.800 7.800 8.550 -0.750 19749 1699 1 4 . 1 1 12 12 SER N N 12 118.600 118.600 118.164 0.436 19749 1700 1 4 . 1 1 12 12 SER HA H 12 3.860 3.860 4.299 -0.439 19749 1701 1 4 . 1 1 12 12 SER C C 12 173.900 173.900 174.092 -0.192 19749 1702 1 4 . 1 1 12 12 SER CA C 12 61.200 61.200 58.034 3.166 19749 1703 1 4 . 1 1 12 12 SER CB C 12 62.500 62.500 64.543 -2.043 19749 1704 1 4 . 1 1 12 12 SER H H 12 8.520 8.520 8.235 0.285 19749 1705 1 4 . 1 1 13 13 TRP N N 13 113.400 113.400 120.634 -7.234 19749 1706 1 4 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.589 0.301 19749 1707 1 4 . 1 1 13 13 TRP C C 13 176.000 176.000 174.668 1.332 19749 1708 1 4 . 1 1 13 13 TRP CA C 13 53.800 53.800 57.004 -3.204 19749 1709 1 4 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.295 0.805 19749 1710 1 4 . 1 1 13 13 TRP H H 13 6.180 6.180 7.603 -1.423 19749 1711 1 4 . 1 1 14 14 TYR N N 14 123.200 123.200 123.381 -0.181 19749 1712 1 4 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.324 0.246 19749 1713 1 4 . 1 1 14 14 TYR C C 14 174.700 174.700 174.730 -0.030 19749 1714 1 4 . 1 1 14 14 TYR CA C 14 56.000 56.000 54.828 1.172 19749 1715 1 4 . 1 1 14 14 TYR CB C 14 37.900 37.900 38.030 -0.130 19749 1716 1 4 . 1 1 14 14 TYR H H 14 7.430 7.430 7.284 0.146 19749 1717 1 4 . 1 1 15 15 HIS N N 15 126.900 126.900 128.273 -1.373 19749 1718 1 4 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.814 -0.264 19749 1719 1 4 . 1 1 15 15 HIS C C 15 173.300 173.300 175.143 -1.843 19749 1720 1 4 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.874 -1.774 19749 1721 1 4 . 1 1 15 15 HIS CB C 15 30.400 30.400 29.028 1.372 19749 1722 1 4 . 1 1 15 15 HIS H H 15 8.680 8.680 8.795 -0.115 19749 1723 1 4 . 1 1 16 16 ARG N N 16 122.500 122.500 123.649 -1.149 19749 1724 1 4 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.392 -0.442 19749 1725 1 4 . 1 1 16 16 ARG C C 16 176.100 176.100 175.195 0.905 19749 1726 1 4 . 1 1 16 16 ARG CA C 16 57.300 57.300 55.926 1.374 19749 1727 1 4 . 1 1 16 16 ARG CB C 16 30.100 30.100 28.207 1.893 19749 1728 1 4 . 1 1 16 16 ARG H H 16 7.740 7.740 8.347 -0.607 19749 1729 1 4 . 1 1 17 17 ASP N N 17 119.100 119.100 117.569 1.531 19749 1730 1 4 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.730 -0.210 19749 1731 1 4 . 1 1 17 17 ASP C C 17 174.900 174.900 174.541 0.359 19749 1732 1 4 . 1 1 17 17 ASP CA C 17 54.800 54.800 54.634 0.166 19749 1733 1 4 . 1 1 17 17 ASP CB C 17 39.900 39.900 44.008 -4.109 19749 1734 1 4 . 1 1 17 17 ASP H H 17 8.900 8.900 8.237 0.663 19749 1735 1 4 . 1 1 18 18 LEU N N 18 121.000 121.000 124.036 -3.036 19749 1736 1 4 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.597 -0.087 19749 1737 1 4 . 1 1 18 18 LEU C C 18 176.300 176.300 175.643 0.657 19749 1738 1 4 . 1 1 18 18 LEU CA C 18 54.500 54.500 53.688 0.812 19749 1739 1 4 . 1 1 18 18 LEU CB C 18 44.800 44.800 43.083 1.717 19749 1740 1 4 . 1 1 18 18 LEU H H 18 7.280 7.280 7.416 -0.136 19749 1741 1 4 . 1 1 19 19 SER N N 19 123.400 123.400 121.613 1.787 19749 1742 1 4 . 1 1 19 19 SER HA H 19 4.440 4.440 4.302 0.138 19749 1743 1 4 . 1 1 19 19 SER C C 19 173.900 173.900 175.621 -1.721 19749 1744 1 4 . 1 1 19 19 SER CA C 19 57.700 57.700 58.941 -1.241 19749 1745 1 4 . 1 1 19 19 SER CB C 19 65.200 65.200 64.754 0.446 19749 1746 1 4 . 1 1 19 19 SER H H 19 8.650 8.650 8.436 0.214 19749 1747 1 4 . 1 1 20 20 ARG N N 20 121.700 121.700 120.930 0.770 19749 1748 1 4 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.135 -0.425 19749 1749 1 4 . 1 1 20 20 ARG C C 20 178.200 178.200 178.336 -0.136 19749 1750 1 4 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.062 1.538 19749 1751 1 4 . 1 1 20 20 ARG CB C 20 30.100 30.100 29.434 0.666 19749 1752 1 4 . 1 1 20 20 ARG H H 20 8.970 8.970 8.837 0.133 19749 1753 1 4 . 1 1 21 21 ALA N N 21 119.900 119.900 121.475 -1.575 19749 1754 1 4 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.104 -0.064 19749 1755 1 4 . 1 1 21 21 ALA C C 21 180.600 180.600 179.173 1.427 19749 1756 1 4 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.852 0.348 19749 1757 1 4 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.179 0.121 19749 1758 1 4 . 1 1 21 21 ALA H H 21 8.670 8.670 8.327 0.343 19749 1759 1 4 . 1 1 22 22 ALA N N 22 121.000 121.000 119.896 1.104 19749 1760 1 4 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.172 -0.042 19749 1761 1 4 . 1 1 22 22 ALA C C 22 180.900 180.900 179.499 1.401 19749 1762 1 4 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.071 0.629 19749 1763 1 4 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.286 0.714 19749 1764 1 4 . 1 1 22 22 ALA H H 22 7.890 7.890 7.812 0.078 19749 1765 1 4 . 1 1 23 23 ALA N N 23 121.700 121.700 122.379 -0.679 19749 1766 1 4 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.077 -0.197 19749 1767 1 4 . 1 1 23 23 ALA C C 23 178.700 178.700 179.561 -0.861 19749 1768 1 4 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.192 -0.092 19749 1769 1 4 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.564 0.636 19749 1770 1 4 . 1 1 23 23 ALA H H 23 8.570 8.570 8.140 0.430 19749 1771 1 4 . 1 1 24 24 GLU N N 24 116.500 116.500 117.889 -1.389 19749 1772 1 4 . 1 1 24 24 GLU HA H 24 3.760 3.760 4.086 -0.326 19749 1773 1 4 . 1 1 24 24 GLU C C 24 178.900 178.900 178.841 0.059 19749 1774 1 4 . 1 1 24 24 GLU CA C 24 60.500 60.500 58.696 1.804 19749 1775 1 4 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.228 -0.728 19749 1776 1 4 . 1 1 24 24 GLU H H 24 8.200 8.200 8.027 0.173 19749 1777 1 4 . 1 1 25 25 GLU N N 25 120.000 120.000 121.330 -1.330 19749 1778 1 4 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.110 -0.050 19749 1779 1 4 . 1 1 25 25 GLU C C 25 178.400 178.400 178.715 -0.315 19749 1780 1 4 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.833 0.567 19749 1781 1 4 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.676 -0.176 19749 1782 1 4 . 1 1 25 25 GLU H H 25 7.690 7.690 7.733 -0.043 19749 1783 1 4 . 1 1 26 26 LEU N N 26 120.200 120.200 120.758 -0.558 19749 1784 1 4 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.104 -0.194 19749 1785 1 4 . 1 1 26 26 LEU C C 26 180.200 180.200 179.044 1.156 19749 1786 1 4 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.648 0.552 19749 1787 1 4 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.563 0.837 19749 1788 1 4 . 1 1 26 26 LEU H H 26 7.840 7.840 7.855 -0.015 19749 1789 1 4 . 1 1 27 27 LEU N N 27 117.800 117.800 118.620 -0.820 19749 1790 1 4 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.994 -0.014 19749 1791 1 4 . 1 1 27 27 LEU C C 27 177.800 177.800 178.506 -0.706 19749 1792 1 4 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.784 -0.184 19749 1793 1 4 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.241 0.659 19749 1794 1 4 . 1 1 27 27 LEU H H 27 7.960 7.960 8.090 -0.130 19749 1795 1 4 . 1 1 28 28 ALA N N 28 120.600 120.600 121.348 -0.748 19749 1796 1 4 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.080 -0.180 19749 1797 1 4 . 1 1 28 28 ALA C C 28 180.900 180.900 179.688 1.212 19749 1798 1 4 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.839 0.361 19749 1799 1 4 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.389 -0.489 19749 1800 1 4 . 1 1 28 28 ALA H H 28 8.160 8.160 7.809 0.351 19749 1801 1 4 . 1 1 29 29 ARG N N 29 116.200 116.200 118.013 -1.813 19749 1802 1 4 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.200 -0.240 19749 1803 1 4 . 1 1 29 29 ARG C C 29 178.000 178.000 178.391 -0.391 19749 1804 1 4 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.718 -0.118 19749 1805 1 4 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.660 -0.360 19749 1806 1 4 . 1 1 29 29 ARG H H 29 7.760 7.760 7.634 0.126 19749 1807 1 4 . 1 1 30 30 ALA N N 30 123.200 123.200 120.182 3.018 19749 1808 1 4 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.328 -0.128 19749 1809 1 4 . 1 1 30 30 ALA C C 30 182.000 182.000 179.079 2.921 19749 1810 1 4 . 1 1 30 30 ALA CA C 30 54.900 54.900 54.268 0.632 19749 1811 1 4 . 1 1 30 30 ALA CB C 30 18.700 18.700 18.767 -0.066 19749 1812 1 4 . 1 1 30 30 ALA H H 30 7.580 7.580 8.189 -0.609 19749 1813 1 4 . 1 1 31 31 GLY N N 31 102.400 102.400 105.694 -3.294 19749 1814 1 4 . 1 1 31 31 GLY C C 31 174.800 174.800 175.303 -0.503 19749 1815 1 4 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.898 3.202 19749 1816 1 4 . 1 1 31 31 GLY H H 31 7.690 7.690 7.669 0.021 19749 1817 1 4 . 1 1 32 32 ARG N N 32 121.100 121.100 118.835 2.265 19749 1818 1 4 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.080 0.380 19749 1819 1 4 . 1 1 32 32 ARG C C 32 176.500 176.500 174.117 2.383 19749 1820 1 4 . 1 1 32 32 ARG CA C 32 55.400 55.400 58.175 -2.775 19749 1821 1 4 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.874 2.726 19749 1822 1 4 . 1 1 32 32 ARG H H 32 7.040 7.040 8.468 -1.428 19749 1823 1 4 . 1 1 33 33 ASP N N 33 126.100 126.100 116.701 9.399 19749 1824 1 4 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.788 -0.018 19749 1825 1 4 . 1 1 33 33 ASP C C 33 176.800 176.800 176.078 0.722 19749 1826 1 4 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.722 1.278 19749 1827 1 4 . 1 1 33 33 ASP CB C 33 41.000 41.000 44.591 -3.591 19749 1828 1 4 . 1 1 33 33 ASP H H 33 9.110 9.110 7.850 1.260 19749 1829 1 4 . 1 1 34 34 GLY N N 34 109.400 109.400 112.016 -2.616 19749 1830 1 4 . 1 1 34 34 GLY C C 34 175.800 175.800 174.619 1.181 19749 1831 1 4 . 1 1 34 34 GLY CA C 34 46.000 46.000 46.351 -0.351 19749 1832 1 4 . 1 1 34 34 GLY H H 34 9.440 9.440 8.816 0.624 19749 1833 1 4 . 1 1 35 35 SER N N 35 120.400 120.400 117.284 3.116 19749 1834 1 4 . 1 1 35 35 SER HA H 35 5.990 5.990 5.633 0.357 19749 1835 1 4 . 1 1 35 35 SER C C 35 173.400 173.400 173.946 -0.546 19749 1836 1 4 . 1 1 35 35 SER CA C 35 59.800 59.800 58.347 1.453 19749 1837 1 4 . 1 1 35 35 SER CB C 35 63.700 63.700 64.333 -0.633 19749 1838 1 4 . 1 1 35 35 SER H H 35 8.050 8.050 7.806 0.244 19749 1839 1 4 . 1 1 36 36 PHE N N 36 122.000 122.000 118.618 3.382 19749 1840 1 4 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.894 0.146 19749 1841 1 4 . 1 1 36 36 PHE C C 36 170.900 170.900 172.910 -2.010 19749 1842 1 4 . 1 1 36 36 PHE CA C 36 56.300 56.300 56.262 0.038 19749 1843 1 4 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.031 1.369 19749 1844 1 4 . 1 1 36 36 PHE H H 36 8.730 8.730 8.963 -0.233 19749 1845 1 4 . 1 1 37 37 LEU N N 37 112.500 112.500 116.017 -3.517 19749 1846 1 4 . 1 1 37 37 LEU HA H 37 5.050 5.050 4.949 0.101 19749 1847 1 4 . 1 1 37 37 LEU C C 37 175.100 175.100 174.581 0.519 19749 1848 1 4 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.648 -0.148 19749 1849 1 4 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.741 -0.541 19749 1850 1 4 . 1 1 37 37 LEU H H 37 9.000 9.000 8.884 0.116 19749 1851 1 4 . 1 1 38 38 VAL N N 38 120.200 120.200 119.879 0.321 19749 1852 1 4 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.151 0.329 19749 1853 1 4 . 1 1 38 38 VAL C C 38 173.600 173.600 175.389 -1.789 19749 1854 1 4 . 1 1 38 38 VAL CA C 38 61.200 61.200 61.455 -0.255 19749 1855 1 4 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.021 1.179 19749 1856 1 4 . 1 1 38 38 VAL H H 38 9.830 9.830 9.058 0.772 19749 1857 1 4 . 1 1 39 39 ARG N N 39 124.000 124.000 122.936 1.064 19749 1858 1 4 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.007 0.513 19749 1859 1 4 . 1 1 39 39 ARG C C 39 174.700 174.700 174.406 0.294 19749 1860 1 4 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.570 -0.770 19749 1861 1 4 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.608 0.592 19749 1862 1 4 . 1 1 39 39 ARG H H 39 9.240 9.240 9.536 -0.296 19749 1863 1 4 . 1 1 40 40 ASP N N 40 122.800 122.800 119.273 3.527 19749 1864 1 4 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.119 -0.169 19749 1865 1 4 . 1 1 40 40 ASP C C 40 176.500 176.500 176.208 0.292 19749 1866 1 4 . 1 1 40 40 ASP CA C 40 55.900 55.900 52.855 3.045 19749 1867 1 4 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.702 -0.802 19749 1868 1 4 . 1 1 40 40 ASP H H 40 9.060 9.060 8.553 0.507 19749 1869 1 4 . 1 1 41 41 SER N N 41 113.600 113.600 116.853 -3.253 19749 1870 1 4 . 1 1 41 41 SER HA H 41 4.200 4.200 4.381 -0.181 19749 1871 1 4 . 1 1 41 41 SER C C 41 175.700 175.700 176.322 -0.622 19749 1872 1 4 . 1 1 41 41 SER CA C 41 58.400 58.400 58.770 -0.370 19749 1873 1 4 . 1 1 41 41 SER CB C 41 63.900 63.900 63.730 0.170 19749 1874 1 4 . 1 1 41 41 SER H H 41 7.870 7.870 8.026 -0.156 19749 1875 1 4 . 1 1 42 42 GLU N N 42 127.200 127.200 124.807 2.393 19749 1876 1 4 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.059 0.331 19749 1877 1 4 . 1 1 42 42 GLU C C 42 176.500 176.500 176.896 -0.396 19749 1878 1 4 . 1 1 42 42 GLU CA C 42 57.700 57.700 59.197 -1.497 19749 1879 1 4 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.757 -0.257 19749 1880 1 4 . 1 1 42 42 GLU H H 42 9.600 9.600 8.929 0.671 19749 1881 1 4 . 1 1 43 43 SER N N 43 113.400 113.400 111.982 1.418 19749 1882 1 4 . 1 1 43 43 SER HA H 43 4.590 4.590 4.578 0.012 19749 1883 1 4 . 1 1 43 43 SER C C 43 174.000 174.000 173.130 0.870 19749 1884 1 4 . 1 1 43 43 SER CA C 43 59.400 59.400 57.712 1.688 19749 1885 1 4 . 1 1 43 43 SER CB C 43 65.100 65.100 63.649 1.451 19749 1886 1 4 . 1 1 43 43 SER H H 43 8.110 8.110 8.097 0.013 19749 1887 1 4 . 1 1 44 44 VAL N N 44 123.200 123.200 123.567 -0.367 19749 1888 1 4 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.190 -0.050 19749 1889 1 4 . 1 1 44 44 VAL C C 44 174.800 174.800 175.057 -0.257 19749 1890 1 4 . 1 1 44 44 VAL CA C 44 61.700 61.700 60.638 1.062 19749 1891 1 4 . 1 1 44 44 VAL CB C 44 33.700 33.700 32.073 1.627 19749 1892 1 4 . 1 1 44 44 VAL H H 44 7.620 7.620 7.366 0.254 19749 1893 1 4 . 1 1 45 45 ALA N N 45 130.900 130.900 131.215 -0.315 19749 1894 1 4 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.235 -0.085 19749 1895 1 4 . 1 1 45 45 ALA C C 45 178.700 178.700 178.178 0.522 19749 1896 1 4 . 1 1 45 45 ALA CA C 45 53.700 53.700 53.166 0.534 19749 1897 1 4 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.384 -0.283 19749 1898 1 4 . 1 1 45 45 ALA H H 45 8.480 8.480 8.738 -0.258 19749 1899 1 4 . 1 1 46 46 GLY N N 46 111.400 111.400 111.966 -0.566 19749 1900 1 4 . 1 1 46 46 GLY C C 46 171.700 171.700 173.736 -2.036 19749 1901 1 4 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.524 0.876 19749 1902 1 4 . 1 1 46 46 GLY H H 46 8.600 8.600 8.844 -0.244 19749 1903 1 4 . 1 1 47 47 ALA N N 47 117.600 117.600 122.629 -5.029 19749 1904 1 4 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.467 0.413 19749 1905 1 4 . 1 1 47 47 ALA C C 47 177.200 177.200 176.147 1.053 19749 1906 1 4 . 1 1 47 47 ALA CA C 47 49.800 49.800 51.142 -1.343 19749 1907 1 4 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.133 0.567 19749 1908 1 4 . 1 1 47 47 ALA H H 47 7.340 7.340 7.157 0.183 19749 1909 1 4 . 1 1 48 48 PHE N N 48 117.100 117.100 119.243 -2.143 19749 1910 1 4 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.329 0.041 19749 1911 1 4 . 1 1 48 48 PHE C C 48 174.100 174.100 174.292 -0.192 19749 1912 1 4 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.699 -0.199 19749 1913 1 4 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.171 0.729 19749 1914 1 4 . 1 1 48 48 PHE H H 48 9.160 9.160 8.225 0.935 19749 1915 1 4 . 1 1 49 49 ALA N N 49 125.600 125.600 120.789 4.811 19749 1916 1 4 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.047 0.143 19749 1917 1 4 . 1 1 49 49 ALA C C 49 174.900 174.900 174.943 -0.043 19749 1918 1 4 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.442 0.758 19749 1919 1 4 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.689 -2.289 19749 1920 1 4 . 1 1 49 49 ALA H H 49 9.630 9.630 8.943 0.687 19749 1921 1 4 . 1 1 50 50 LEU N N 50 127.100 127.100 122.211 4.889 19749 1922 1 4 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.429 -0.359 19749 1923 1 4 . 1 1 50 50 LEU C C 50 174.500 174.500 175.251 -0.751 19749 1924 1 4 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.707 0.293 19749 1925 1 4 . 1 1 50 50 LEU CB C 50 43.900 43.900 46.612 -2.712 19749 1926 1 4 . 1 1 50 50 LEU H H 50 9.350 9.350 8.466 0.884 19749 1927 1 4 . 1 1 51 51 CYS N N 51 127.300 127.300 126.142 1.158 19749 1928 1 4 . 1 1 51 51 CYS HA H 51 5.410 5.410 4.889 0.521 19749 1929 1 4 . 1 1 51 51 CYS C C 51 173.000 173.000 172.872 0.128 19749 1930 1 4 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.200 0.000 19749 1931 1 4 . 1 1 51 51 CYS CB C 51 30.400 30.400 29.595 0.805 19749 1932 1 4 . 1 1 51 51 CYS H H 51 9.300 9.300 9.090 0.210 19749 1933 1 4 . 1 1 52 52 VAL N N 52 123.100 123.100 127.505 -4.405 19749 1934 1 4 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.379 -0.219 19749 1935 1 4 . 1 1 52 52 VAL C C 52 173.800 173.800 173.903 -0.103 19749 1936 1 4 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.532 -0.632 19749 1937 1 4 . 1 1 52 52 VAL CB C 52 36.300 36.300 35.990 0.310 19749 1938 1 4 . 1 1 52 52 VAL H H 52 9.460 9.460 8.470 0.990 19749 1939 1 4 . 1 1 53 53 LEU N N 53 130.700 130.700 127.621 3.079 19749 1940 1 4 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.451 -0.471 19749 1941 1 4 . 1 1 53 53 LEU C C 53 175.200 175.200 174.027 1.173 19749 1942 1 4 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.748 0.252 19749 1943 1 4 . 1 1 53 53 LEU CB C 53 45.300 45.300 45.413 -0.113 19749 1944 1 4 . 1 1 53 53 LEU H H 53 9.320 9.320 9.035 0.285 19749 1945 1 4 . 1 1 54 54 TYR N N 54 125.700 125.700 125.816 -0.116 19749 1946 1 4 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.876 0.034 19749 1947 1 4 . 1 1 54 54 TYR C C 54 175.400 175.400 174.716 0.684 19749 1948 1 4 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.539 1.161 19749 1949 1 4 . 1 1 54 54 TYR CB C 54 41.700 41.700 42.232 -0.532 19749 1950 1 4 . 1 1 54 54 TYR H H 54 9.260 9.260 8.649 0.611 19749 1951 1 4 . 1 1 55 55 GLN N N 55 129.900 129.900 127.656 2.244 19749 1952 1 4 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.751 -0.051 19749 1953 1 4 . 1 1 55 55 GLN C C 55 175.900 175.900 174.799 1.101 19749 1954 1 4 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.784 -0.084 19749 1955 1 4 . 1 1 55 55 GLN CB C 55 25.600 25.600 27.335 -1.735 19749 1956 1 4 . 1 1 55 55 GLN H H 55 9.750 9.750 8.597 1.153 19749 1957 1 4 . 1 1 56 56 LYS N N 56 107.600 107.600 112.936 -5.336 19749 1958 1 4 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.939 -0.499 19749 1959 1 4 . 1 1 56 56 LYS C C 56 174.800 174.800 175.161 -0.361 19749 1960 1 4 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.437 0.963 19749 1961 1 4 . 1 1 56 56 LYS CB C 56 29.800 29.800 30.183 -0.383 19749 1962 1 4 . 1 1 56 56 LYS H H 56 8.920 8.920 8.559 0.361 19749 1963 1 4 . 1 1 57 57 HIS N N 57 118.200 118.200 118.600 -0.400 19749 1964 1 4 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.767 0.133 19749 1965 1 4 . 1 1 57 57 HIS C C 57 173.400 173.400 173.319 0.081 19749 1966 1 4 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.840 -0.540 19749 1967 1 4 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.359 0.541 19749 1968 1 4 . 1 1 57 57 HIS H H 57 7.980 7.980 7.667 0.313 19749 1969 1 4 . 1 1 58 58 VAL N N 58 124.500 124.500 128.659 -4.159 19749 1970 1 4 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.610 -0.270 19749 1971 1 4 . 1 1 58 58 VAL C C 58 175.700 175.700 175.428 0.272 19749 1972 1 4 . 1 1 58 58 VAL CA C 58 63.100 63.100 62.570 0.530 19749 1973 1 4 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.478 -0.478 19749 1974 1 4 . 1 1 58 58 VAL H H 58 8.800 8.800 8.642 0.158 19749 1975 1 4 . 1 1 59 59 HIS N N 59 132.200 132.200 128.458 3.742 19749 1976 1 4 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.857 -0.337 19749 1977 1 4 . 1 1 59 59 HIS C C 59 174.100 174.100 173.736 0.364 19749 1978 1 4 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.067 1.633 19749 1979 1 4 . 1 1 59 59 HIS CB C 59 32.200 32.200 32.379 -0.179 19749 1980 1 4 . 1 1 59 59 HIS H H 59 9.830 9.830 9.282 0.548 19749 1981 1 4 . 1 1 60 60 THR N N 60 119.300 119.300 118.907 0.393 19749 1982 1 4 . 1 1 60 60 THR HA H 60 5.280 5.280 4.854 0.426 19749 1983 1 4 . 1 1 60 60 THR C C 60 173.700 173.700 173.584 0.116 19749 1984 1 4 . 1 1 60 60 THR CA C 60 62.100 62.100 60.471 1.629 19749 1985 1 4 . 1 1 60 60 THR CB C 60 70.300 70.300 69.800 0.500 19749 1986 1 4 . 1 1 60 60 THR H H 60 8.420 8.420 8.358 0.062 19749 1987 1 4 . 1 1 61 61 TYR N N 61 127.000 127.000 125.775 1.225 19749 1988 1 4 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.777 0.023 19749 1989 1 4 . 1 1 61 61 TYR C C 61 175.000 175.000 175.679 -0.679 19749 1990 1 4 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.725 -0.225 19749 1991 1 4 . 1 1 61 61 TYR CB C 61 40.900 40.900 38.743 2.156 19749 1992 1 4 . 1 1 61 61 TYR H H 61 9.810 9.810 8.776 1.034 19749 1993 1 4 . 1 1 62 62 ARG N N 62 124.200 124.200 123.519 0.681 19749 1994 1 4 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.502 0.208 19749 1995 1 4 . 1 1 62 62 ARG C C 62 175.000 175.000 175.667 -0.667 19749 1996 1 4 . 1 1 62 62 ARG CA C 62 56.900 56.900 56.725 0.175 19749 1997 1 4 . 1 1 62 62 ARG CB C 62 31.500 31.500 31.599 -0.099 19749 1998 1 4 . 1 1 62 62 ARG H H 62 9.240 9.240 8.828 0.412 19749 1999 1 4 . 1 1 63 63 ILE N N 63 124.100 124.100 120.942 3.158 19749 2000 1 4 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.608 0.152 19749 2001 1 4 . 1 1 63 63 ILE C C 63 174.900 174.900 174.152 0.748 19749 2002 1 4 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.898 -0.398 19749 2003 1 4 . 1 1 63 63 ILE CB C 63 39.600 39.600 40.389 -0.789 19749 2004 1 4 . 1 1 63 63 ILE H H 63 8.810 8.810 8.178 0.632 19749 2005 1 4 . 1 1 64 64 LEU N N 64 126.200 126.200 127.469 -1.269 19749 2006 1 4 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.004 0.196 19749 2007 1 4 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.098 -0.498 19749 2008 1 4 . 1 1 64 64 LEU CB C 64 44.200 44.200 43.224 0.976 19749 2009 1 4 . 1 1 64 64 LEU H H 64 8.660 8.660 8.889 -0.229 19749 2010 1 4 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.906 0.324 19749 2011 1 4 . 1 1 65 65 PRO C C 65 177.000 177.000 178.085 -1.085 19749 2012 1 4 . 1 1 65 65 PRO CA C 65 62.500 62.500 62.496 0.004 19749 2013 1 4 . 1 1 65 65 PRO CB C 65 32.300 32.300 31.544 0.755 19749 2014 1 4 . 1 1 66 66 ASP N N 66 124.500 124.500 128.741 -4.241 19749 2015 1 4 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.432 0.468 19749 2016 1 4 . 1 1 66 66 ASP C C 66 177.200 177.200 177.000 0.200 19749 2017 1 4 . 1 1 66 66 ASP CA C 66 52.600 52.600 56.435 -3.836 19749 2018 1 4 . 1 1 66 66 ASP CB C 66 43.000 43.000 41.137 1.863 19749 2019 1 4 . 1 1 66 66 ASP H H 66 8.650 8.650 8.415 0.235 19749 2020 1 4 . 1 1 67 67 GLY N N 67 108.300 108.300 106.197 2.103 19749 2021 1 4 . 1 1 67 67 GLY C C 67 174.700 174.700 173.869 0.831 19749 2022 1 4 . 1 1 67 67 GLY CA C 67 45.900 45.900 44.977 0.923 19749 2023 1 4 . 1 1 67 67 GLY H H 67 8.420 8.420 8.294 0.126 19749 2024 1 4 . 1 1 68 68 GLU N N 68 120.300 120.300 119.037 1.263 19749 2025 1 4 . 1 1 68 68 GLU HA H 68 4.340 4.340 3.793 0.547 19749 2026 1 4 . 1 1 68 68 GLU C C 68 176.100 176.100 176.316 -0.216 19749 2027 1 4 . 1 1 68 68 GLU CA C 68 56.800 56.800 57.752 -0.952 19749 2028 1 4 . 1 1 68 68 GLU CB C 68 30.300 30.300 29.098 1.202 19749 2029 1 4 . 1 1 68 68 GLU H H 68 8.580 8.580 7.964 0.616 19749 2030 1 4 . 1 1 69 69 ASP N N 69 115.000 115.000 116.098 -1.098 19749 2031 1 4 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.524 -0.004 19749 2032 1 4 . 1 1 69 69 ASP C C 69 175.500 175.500 175.953 -0.453 19749 2033 1 4 . 1 1 69 69 ASP CA C 69 55.900 55.900 55.939 -0.039 19749 2034 1 4 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.321 -0.721 19749 2035 1 4 . 1 1 69 69 ASP H H 69 8.360 8.360 8.216 0.144 19749 2036 1 4 . 1 1 70 70 PHE N N 70 117.200 117.200 117.192 0.008 19749 2037 1 4 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.204 -0.214 19749 2038 1 4 . 1 1 70 70 PHE C C 70 175.700 175.700 175.426 0.274 19749 2039 1 4 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.374 1.226 19749 2040 1 4 . 1 1 70 70 PHE CB C 70 41.700 41.700 42.564 -0.864 19749 2041 1 4 . 1 1 70 70 PHE H H 70 8.120 8.120 7.773 0.347 19749 2042 1 4 . 1 1 71 71 LEU N N 71 120.900 120.900 121.395 -0.495 19749 2043 1 4 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.158 -0.208 19749 2044 1 4 . 1 1 71 71 LEU C C 71 175.900 175.900 175.579 0.321 19749 2045 1 4 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.588 0.312 19749 2046 1 4 . 1 1 71 71 LEU CB C 71 45.700 45.700 41.777 3.923 19749 2047 1 4 . 1 1 71 71 LEU H H 71 9.330 9.330 9.106 0.224 19749 2048 1 4 . 1 1 72 72 ALA N N 72 121.500 121.500 127.818 -6.318 19749 2049 1 4 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.871 0.339 19749 2050 1 4 . 1 1 72 72 ALA C C 72 176.900 176.900 176.738 0.162 19749 2051 1 4 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.691 0.809 19749 2052 1 4 . 1 1 72 72 ALA CB C 72 23.000 23.000 19.969 3.031 19749 2053 1 4 . 1 1 72 72 ALA H H 72 8.670 8.670 8.643 0.027 19749 2054 1 4 . 1 1 73 73 VAL N N 73 122.700 122.700 125.020 -2.320 19749 2055 1 4 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.511 0.069 19749 2056 1 4 . 1 1 73 73 VAL C C 73 175.100 175.100 175.431 -0.331 19749 2057 1 4 . 1 1 73 73 VAL CA C 73 61.800 61.800 60.965 0.835 19749 2058 1 4 . 1 1 73 73 VAL CB C 73 33.800 33.800 34.355 -0.555 19749 2059 1 4 . 1 1 73 73 VAL H H 73 9.310 9.310 8.600 0.710 19749 2060 1 4 . 1 1 74 74 GLN N N 74 128.600 128.600 124.173 4.427 19749 2061 1 4 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.726 -0.016 19749 2062 1 4 . 1 1 74 74 GLN C C 74 175.900 175.900 175.704 0.196 19749 2063 1 4 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.009 0.091 19749 2064 1 4 . 1 1 74 74 GLN CB C 74 29.700 29.700 28.190 1.510 19749 2065 1 4 . 1 1 74 74 GLN H H 74 9.090 9.090 9.159 -0.069 19749 2066 1 4 . 1 1 75 75 THR N N 75 117.700 117.700 113.122 4.578 19749 2067 1 4 . 1 1 75 75 THR HA H 75 4.490 4.490 4.658 -0.168 19749 2068 1 4 . 1 1 75 75 THR C C 75 174.700 174.700 174.573 0.127 19749 2069 1 4 . 1 1 75 75 THR CA C 75 62.200 62.200 60.903 1.297 19749 2070 1 4 . 1 1 75 75 THR CB C 75 69.800 69.800 69.063 0.737 19749 2071 1 4 . 1 1 75 75 THR H H 75 8.510 8.510 8.374 0.136 19749 2072 1 4 . 1 1 76 76 SER N N 76 115.300 115.300 119.804 -4.504 19749 2073 1 4 . 1 1 76 76 SER HA H 76 4.540 4.540 4.550 -0.010 19749 2074 1 4 . 1 1 76 76 SER C C 76 174.200 174.200 175.041 -0.841 19749 2075 1 4 . 1 1 76 76 SER CA C 76 58.600 58.600 59.787 -1.187 19749 2076 1 4 . 1 1 76 76 SER CB C 76 64.200 64.200 62.612 1.588 19749 2077 1 4 . 1 1 76 76 SER H H 76 8.250 8.250 8.367 -0.117 19749 2078 1 4 . 1 1 77 77 GLN N N 77 120.500 120.500 124.076 -3.576 19749 2079 1 4 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.557 -0.337 19749 2080 1 4 . 1 1 77 77 GLN C C 77 176.900 176.900 175.814 1.086 19749 2081 1 4 . 1 1 77 77 GLN CA C 77 57.300 57.300 55.843 1.456 19749 2082 1 4 . 1 1 77 77 GLN CB C 77 28.900 28.900 29.445 -0.545 19749 2083 1 4 . 1 1 77 77 GLN H H 77 8.510 8.510 8.150 0.360 19749 2084 1 4 . 1 1 78 78 GLY N N 78 110.300 110.300 107.801 2.499 19749 2085 1 4 . 1 1 78 78 GLY C C 78 173.800 173.800 173.586 0.214 19749 2086 1 4 . 1 1 78 78 GLY CA C 78 45.500 45.500 44.834 0.666 19749 2087 1 4 . 1 1 78 78 GLY H H 78 8.610 8.610 8.126 0.484 19749 2088 1 4 . 1 1 79 79 VAL N N 79 119.500 119.500 116.671 2.829 19749 2089 1 4 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.702 -0.152 19749 2090 1 4 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.335 1.165 19749 2091 1 4 . 1 1 79 79 VAL CB C 79 32.800 32.800 33.297 -0.498 19749 2092 1 4 . 1 1 79 79 VAL H H 79 7.400 7.400 7.773 -0.373 19749 2093 1 4 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.523 -0.103 19749 2094 1 4 . 1 1 80 80 PRO C C 80 176.900 176.900 176.233 0.667 19749 2095 1 4 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.353 0.947 19749 2096 1 4 . 1 1 80 80 PRO CB C 80 32.300 32.300 32.364 -0.064 19749 2097 1 4 . 1 1 81 81 VAL N N 81 121.600 121.600 119.182 2.418 19749 2098 1 4 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.069 -0.029 19749 2099 1 4 . 1 1 81 81 VAL C C 81 175.800 175.800 176.248 -0.448 19749 2100 1 4 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.190 0.810 19749 2101 1 4 . 1 1 81 81 VAL CB C 81 32.800 32.800 31.641 1.159 19749 2102 1 4 . 1 1 81 81 VAL H H 81 8.390 8.390 8.123 0.267 19749 2103 1 4 . 1 1 82 82 ARG N N 82 125.400 125.400 129.629 -4.229 19749 2104 1 4 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.486 -0.035 19749 2105 1 4 . 1 1 82 82 ARG C C 82 173.900 173.900 174.324 -0.424 19749 2106 1 4 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.079 0.921 19749 2107 1 4 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.212 1.088 19749 2108 1 4 . 1 1 82 82 ARG H H 82 8.170 8.170 8.481 -0.311 19749 2109 1 4 . 1 1 83 83 ARG N N 83 121.200 121.200 125.074 -3.874 19749 2110 1 4 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.760 0.570 19749 2111 1 4 . 1 1 83 83 ARG C C 83 175.600 175.600 175.311 0.289 19749 2112 1 4 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.261 -0.761 19749 2113 1 4 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.889 1.611 19749 2114 1 4 . 1 1 83 83 ARG H H 83 8.060 8.060 8.404 -0.344 19749 2115 1 4 . 1 1 84 84 PHE N N 84 118.600 118.600 120.701 -2.101 19749 2116 1 4 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.974 -0.024 19749 2117 1 4 . 1 1 84 84 PHE C C 84 175.200 175.200 175.564 -0.364 19749 2118 1 4 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.530 0.570 19749 2119 1 4 . 1 1 84 84 PHE CB C 84 44.500 44.500 41.989 2.511 19749 2120 1 4 . 1 1 84 84 PHE H H 84 9.320 9.320 8.379 0.941 19749 2121 1 4 . 1 1 85 85 GLN N N 85 120.800 120.800 121.632 -0.832 19749 2122 1 4 . 1 1 85 85 GLN HA H 85 4.050 4.050 3.813 0.237 19749 2123 1 4 . 1 1 85 85 GLN C C 85 176.000 176.000 175.739 0.261 19749 2124 1 4 . 1 1 85 85 GLN CA C 85 58.400 58.400 55.836 2.564 19749 2125 1 4 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.953 0.347 19749 2126 1 4 . 1 1 85 85 GLN H H 85 9.660 9.660 8.817 0.843 19749 2127 1 4 . 1 1 86 86 THR N N 86 103.000 103.000 110.744 -7.744 19749 2128 1 4 . 1 1 86 86 THR HA H 86 4.810 4.810 4.408 0.402 19749 2129 1 4 . 1 1 86 86 THR C C 86 174.500 174.500 174.204 0.296 19749 2130 1 4 . 1 1 86 86 THR CA C 86 58.700 58.700 60.211 -1.511 19749 2131 1 4 . 1 1 86 86 THR CB C 86 73.400 73.400 70.840 2.560 19749 2132 1 4 . 1 1 86 86 THR H H 86 7.260 7.260 7.697 -0.437 19749 2133 1 4 . 1 1 87 87 LEU N N 87 122.200 122.200 124.950 -2.750 19749 2134 1 4 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.853 -0.023 19749 2135 1 4 . 1 1 87 87 LEU C C 87 178.600 178.600 177.468 1.132 19749 2136 1 4 . 1 1 87 87 LEU CA C 87 57.100 57.100 56.604 0.496 19749 2137 1 4 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.449 0.951 19749 2138 1 4 . 1 1 87 87 LEU H H 87 9.150 9.150 8.636 0.514 19749 2139 1 4 . 1 1 88 88 GLY N N 88 105.200 105.200 106.147 -0.947 19749 2140 1 4 . 1 1 88 88 GLY C C 88 176.900 176.900 175.619 1.281 19749 2141 1 4 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.139 0.261 19749 2142 1 4 . 1 1 88 88 GLY H H 88 8.870 8.870 7.766 1.104 19749 2143 1 4 . 1 1 89 89 GLU N N 89 122.000 122.000 121.625 0.375 19749 2144 1 4 . 1 1 89 89 GLU HA H 89 3.930 3.930 3.950 -0.020 19749 2145 1 4 . 1 1 89 89 GLU C C 89 177.600 177.600 178.277 -0.677 19749 2146 1 4 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.191 0.709 19749 2147 1 4 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.316 1.684 19749 2148 1 4 . 1 1 89 89 GLU H H 89 7.670 7.670 7.488 0.182 19749 2149 1 4 . 1 1 90 90 LEU N N 90 122.300 122.300 120.682 1.618 19749 2150 1 4 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.276 0.154 19749 2151 1 4 . 1 1 90 90 LEU C C 90 177.200 177.200 177.777 -0.577 19749 2152 1 4 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.035 1.665 19749 2153 1 4 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.135 0.965 19749 2154 1 4 . 1 1 90 90 LEU H H 90 6.880 6.880 6.541 0.339 19749 2155 1 4 . 1 1 91 91 ILE N N 91 118.800 118.800 117.370 1.430 19749 2156 1 4 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.309 -0.199 19749 2157 1 4 . 1 1 91 91 ILE C C 91 177.700 177.700 178.291 -0.591 19749 2158 1 4 . 1 1 91 91 ILE CA C 91 61.400 61.400 63.435 -2.035 19749 2159 1 4 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.010 -0.610 19749 2160 1 4 . 1 1 91 91 ILE H H 91 7.880 7.880 7.598 0.282 19749 2161 1 4 . 1 1 92 92 GLY N N 92 103.900 103.900 107.567 -3.667 19749 2162 1 4 . 1 1 92 92 GLY C C 92 176.400 176.400 176.267 0.133 19749 2163 1 4 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.987 -0.188 19749 2164 1 4 . 1 1 92 92 GLY H H 92 7.570 7.570 7.845 -0.275 19749 2165 1 4 . 1 1 93 93 LEU N N 93 123.200 123.200 121.531 1.669 19749 2166 1 4 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.175 -0.095 19749 2167 1 4 . 1 1 93 93 LEU C C 93 179.100 179.100 179.077 0.023 19749 2168 1 4 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.292 0.108 19749 2169 1 4 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.286 -1.486 19749 2170 1 4 . 1 1 93 93 LEU H H 93 7.360 7.360 7.471 -0.111 19749 2171 1 4 . 1 1 94 94 TYR N N 94 114.000 114.000 117.775 -3.775 19749 2172 1 4 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.424 -0.194 19749 2173 1 4 . 1 1 94 94 TYR C C 94 175.600 175.600 177.570 -1.970 19749 2174 1 4 . 1 1 94 94 TYR CA C 94 60.200 60.200 56.149 4.051 19749 2175 1 4 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.421 0.179 19749 2176 1 4 . 1 1 94 94 TYR H H 94 7.380 7.380 8.346 -0.966 19749 2177 1 4 . 1 1 95 95 ALA N N 95 123.100 123.100 120.659 2.441 19749 2178 1 4 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.128 0.232 19749 2179 1 4 . 1 1 95 95 ALA C C 95 177.300 177.300 177.393 -0.093 19749 2180 1 4 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.783 1.117 19749 2181 1 4 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.570 0.430 19749 2182 1 4 . 1 1 95 95 ALA H H 95 7.330 7.330 7.333 -0.003 19749 2183 1 4 . 1 1 96 96 GLN N N 96 116.500 116.500 119.993 -3.493 19749 2184 1 4 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.672 -0.132 19749 2185 1 4 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.133 0.867 19749 2186 1 4 . 1 1 96 96 GLN CB C 96 28.600 28.600 29.906 -1.306 19749 2187 1 4 . 1 1 96 96 GLN H H 96 7.620 7.620 7.305 0.315 19749 2188 1 4 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.243 -0.003 19749 2189 1 4 . 1 1 97 97 PRO C C 97 176.800 176.800 177.150 -0.350 19749 2190 1 4 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.094 0.706 19749 2191 1 4 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.581 0.219 19749 2192 1 4 . 1 1 98 98 ASN N N 98 114.900 114.900 118.191 -3.291 19749 2193 1 4 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.247 0.233 19749 2194 1 4 . 1 1 98 98 ASN C C 98 175.100 175.100 174.156 0.944 19749 2195 1 4 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.201 0.099 19749 2196 1 4 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.308 -0.408 19749 2197 1 4 . 1 1 98 98 ASN H H 98 8.960 8.960 8.593 0.367 19749 2198 1 4 . 1 1 99 99 GLN N N 99 115.400 115.400 116.278 -0.878 19749 2199 1 4 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.354 0.146 19749 2200 1 4 . 1 1 99 99 GLN C C 99 176.100 176.100 175.131 0.969 19749 2201 1 4 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.587 -1.287 19749 2202 1 4 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.262 0.338 19749 2203 1 4 . 1 1 99 99 GLN H H 99 8.610 8.610 8.171 0.439 19749 2204 1 4 . 1 1 100 100 GLY N N 100 107.400 107.400 107.181 0.219 19749 2205 1 4 . 1 1 100 100 GLY C C 100 174.600 174.600 173.510 1.090 19749 2206 1 4 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.212 0.188 19749 2207 1 4 . 1 1 100 100 GLY H H 100 8.460 8.460 7.869 0.591 19749 2208 1 4 . 1 1 101 101 LEU N N 101 118.400 118.400 124.214 -5.814 19749 2209 1 4 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.509 -0.129 19749 2210 1 4 . 1 1 101 101 LEU C C 101 178.000 178.000 178.008 -0.008 19749 2211 1 4 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.392 -1.492 19749 2212 1 4 . 1 1 101 101 LEU CB C 101 42.400 42.400 39.703 2.697 19749 2213 1 4 . 1 1 101 101 LEU H H 101 8.020 8.020 7.775 0.245 19749 2214 1 4 . 1 1 102 102 VAL N N 102 114.700 114.700 119.634 -4.934 19749 2215 1 4 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.847 -0.257 19749 2216 1 4 . 1 1 102 102 VAL C C 102 173.600 173.600 176.305 -2.705 19749 2217 1 4 . 1 1 102 102 VAL CA C 102 63.600 63.600 65.022 -1.422 19749 2218 1 4 . 1 1 102 102 VAL CB C 102 31.100 31.100 31.753 -0.653 19749 2219 1 4 . 1 1 102 102 VAL H H 102 7.260 7.260 8.510 -1.250 19749 2220 1 4 . 1 1 103 103 CYS N N 103 112.400 112.400 117.969 -5.569 19749 2221 1 4 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.124 0.116 19749 2222 1 4 . 1 1 103 103 CYS C C 103 170.600 170.600 173.881 -3.281 19749 2223 1 4 . 1 1 103 103 CYS CA C 103 56.100 56.100 58.902 -2.802 19749 2224 1 4 . 1 1 103 103 CYS CB C 103 29.600 29.600 29.978 -0.378 19749 2225 1 4 . 1 1 103 103 CYS H H 103 6.920 6.920 8.103 -1.183 19749 2226 1 4 . 1 1 104 104 ALA N N 104 119.600 119.600 121.641 -2.041 19749 2227 1 4 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.037 0.173 19749 2228 1 4 . 1 1 104 104 ALA C C 104 176.300 176.300 176.551 -0.251 19749 2229 1 4 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.354 -0.754 19749 2230 1 4 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.699 0.701 19749 2231 1 4 . 1 1 104 104 ALA H H 104 7.840 7.840 7.533 0.307 19749 2232 1 4 . 1 1 105 105 LEU N N 105 117.100 117.100 122.725 -5.625 19749 2233 1 4 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.699 0.081 19749 2234 1 4 . 1 1 105 105 LEU C C 105 175.400 175.400 176.616 -1.216 19749 2235 1 4 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.781 -1.181 19749 2236 1 4 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.851 -2.451 19749 2237 1 4 . 1 1 105 105 LEU H H 105 7.610 7.610 7.998 -0.388 19749 2238 1 4 . 1 1 106 106 LEU N N 106 124.700 124.700 128.150 -3.450 19749 2239 1 4 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.701 -0.101 19749 2240 1 4 . 1 1 106 106 LEU C C 106 177.600 177.600 176.438 1.162 19749 2241 1 4 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.929 0.371 19749 2242 1 4 . 1 1 106 106 LEU CB C 106 46.000 46.000 44.132 1.868 19749 2243 1 4 . 1 1 106 106 LEU H H 106 8.160 8.160 8.426 -0.266 19749 2244 1 4 . 1 1 107 107 LEU N N 107 121.400 121.400 121.389 0.011 19749 2245 1 4 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.061 0.049 19749 2246 1 4 . 1 1 107 107 LEU CA C 107 51.700 51.700 51.314 0.386 19749 2247 1 4 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.828 0.772 19749 2248 1 4 . 1 1 107 107 LEU H H 107 7.930 7.930 8.357 -0.427 19749 2249 1 4 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.258 -0.828 19749 2250 1 4 . 1 1 108 108 PRO C C 108 176.500 176.500 176.198 0.302 19749 2251 1 4 . 1 1 108 108 PRO CA C 108 62.400 62.400 61.667 0.733 19749 2252 1 4 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.677 1.123 19749 2253 1 5 . 1 1 10 10 HIS C C 10 175.000 175.000 175.013 -0.013 19749 2254 1 5 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.096 0.804 19749 2255 1 5 . 1 1 10 10 HIS CB C 10 29.900 29.900 30.721 -0.822 19749 2256 1 5 . 1 1 11 11 MET N N 11 120.400 120.400 121.074 -0.674 19749 2257 1 5 . 1 1 11 11 MET HA H 11 4.000 4.000 4.445 -0.445 19749 2258 1 5 . 1 1 11 11 MET C C 11 177.500 177.500 176.584 0.916 19749 2259 1 5 . 1 1 11 11 MET CA C 11 54.100 54.100 55.280 -1.180 19749 2260 1 5 . 1 1 11 11 MET CB C 11 31.500 31.500 33.356 -1.857 19749 2261 1 5 . 1 1 11 11 MET H H 11 7.800 7.800 8.394 -0.594 19749 2262 1 5 . 1 1 12 12 SER N N 12 118.600 118.600 118.053 0.547 19749 2263 1 5 . 1 1 12 12 SER HA H 12 3.860 3.860 4.259 -0.399 19749 2264 1 5 . 1 1 12 12 SER C C 12 173.900 173.900 174.373 -0.473 19749 2265 1 5 . 1 1 12 12 SER CA C 12 61.200 61.200 57.666 3.534 19749 2266 1 5 . 1 1 12 12 SER CB C 12 62.500 62.500 63.862 -1.363 19749 2267 1 5 . 1 1 12 12 SER H H 12 8.520 8.520 8.258 0.262 19749 2268 1 5 . 1 1 13 13 TRP N N 13 113.400 113.400 118.560 -5.160 19749 2269 1 5 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.575 0.315 19749 2270 1 5 . 1 1 13 13 TRP C C 13 176.000 176.000 175.905 0.095 19749 2271 1 5 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.833 -3.033 19749 2272 1 5 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.157 0.943 19749 2273 1 5 . 1 1 13 13 TRP H H 13 6.180 6.180 7.594 -1.414 19749 2274 1 5 . 1 1 14 14 TYR N N 14 123.200 123.200 123.670 -0.470 19749 2275 1 5 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.109 0.461 19749 2276 1 5 . 1 1 14 14 TYR C C 14 174.700 174.700 174.324 0.376 19749 2277 1 5 . 1 1 14 14 TYR CA C 14 56.000 56.000 57.742 -1.742 19749 2278 1 5 . 1 1 14 14 TYR CB C 14 37.900 37.900 38.775 -0.875 19749 2279 1 5 . 1 1 14 14 TYR H H 14 7.430 7.430 7.423 0.007 19749 2280 1 5 . 1 1 15 15 HIS N N 15 126.900 126.900 126.565 0.335 19749 2281 1 5 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.815 -0.265 19749 2282 1 5 . 1 1 15 15 HIS C C 15 173.300 173.300 174.995 -1.695 19749 2283 1 5 . 1 1 15 15 HIS CA C 15 53.100 53.100 55.075 -1.975 19749 2284 1 5 . 1 1 15 15 HIS CB C 15 30.400 30.400 33.042 -2.642 19749 2285 1 5 . 1 1 15 15 HIS H H 15 8.680 8.680 8.310 0.370 19749 2286 1 5 . 1 1 16 16 ARG N N 16 122.500 122.500 123.493 -0.993 19749 2287 1 5 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.993 -0.043 19749 2288 1 5 . 1 1 16 16 ARG C C 16 176.100 176.100 175.616 0.484 19749 2289 1 5 . 1 1 16 16 ARG CA C 16 57.300 57.300 58.314 -1.014 19749 2290 1 5 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.755 -0.655 19749 2291 1 5 . 1 1 16 16 ARG H H 16 7.740 7.740 8.584 -0.844 19749 2292 1 5 . 1 1 17 17 ASP N N 17 119.100 119.100 118.225 0.875 19749 2293 1 5 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.701 -0.181 19749 2294 1 5 . 1 1 17 17 ASP C C 17 174.900 174.900 174.544 0.356 19749 2295 1 5 . 1 1 17 17 ASP CA C 17 54.800 54.800 53.042 1.758 19749 2296 1 5 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.900 -1.000 19749 2297 1 5 . 1 1 17 17 ASP H H 17 8.900 8.900 8.037 0.863 19749 2298 1 5 . 1 1 18 18 LEU N N 18 121.000 121.000 123.037 -2.037 19749 2299 1 5 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.773 -0.263 19749 2300 1 5 . 1 1 18 18 LEU C C 18 176.300 176.300 174.978 1.322 19749 2301 1 5 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.568 -0.068 19749 2302 1 5 . 1 1 18 18 LEU CB C 18 44.800 44.800 45.988 -1.188 19749 2303 1 5 . 1 1 18 18 LEU H H 18 7.280 7.280 8.049 -0.769 19749 2304 1 5 . 1 1 19 19 SER N N 19 123.400 123.400 119.579 3.821 19749 2305 1 5 . 1 1 19 19 SER HA H 19 4.440 4.440 4.736 -0.296 19749 2306 1 5 . 1 1 19 19 SER C C 19 173.900 173.900 175.488 -1.588 19749 2307 1 5 . 1 1 19 19 SER CA C 19 57.700 57.700 56.022 1.679 19749 2308 1 5 . 1 1 19 19 SER CB C 19 65.200 65.200 64.719 0.481 19749 2309 1 5 . 1 1 19 19 SER H H 19 8.650 8.650 8.378 0.272 19749 2310 1 5 . 1 1 20 20 ARG N N 20 121.700 121.700 122.942 -1.242 19749 2311 1 5 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.115 -0.405 19749 2312 1 5 . 1 1 20 20 ARG C C 20 178.200 178.200 177.490 0.710 19749 2313 1 5 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.173 1.427 19749 2314 1 5 . 1 1 20 20 ARG CB C 20 30.100 30.100 29.634 0.466 19749 2315 1 5 . 1 1 20 20 ARG H H 20 8.970 8.970 8.928 0.042 19749 2316 1 5 . 1 1 21 21 ALA N N 21 119.900 119.900 123.272 -3.372 19749 2317 1 5 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.072 -0.032 19749 2318 1 5 . 1 1 21 21 ALA C C 21 180.600 180.600 179.496 1.104 19749 2319 1 5 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.708 0.492 19749 2320 1 5 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.204 0.096 19749 2321 1 5 . 1 1 21 21 ALA H H 21 8.670 8.670 8.474 0.196 19749 2322 1 5 . 1 1 22 22 ALA N N 22 121.000 121.000 120.767 0.233 19749 2323 1 5 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.143 -0.013 19749 2324 1 5 . 1 1 22 22 ALA C C 22 180.900 180.900 179.701 1.199 19749 2325 1 5 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.483 0.217 19749 2326 1 5 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.117 0.883 19749 2327 1 5 . 1 1 22 22 ALA H H 22 7.890 7.890 8.396 -0.506 19749 2328 1 5 . 1 1 23 23 ALA N N 23 121.700 121.700 122.011 -0.311 19749 2329 1 5 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.923 -0.043 19749 2330 1 5 . 1 1 23 23 ALA C C 23 178.700 178.700 179.420 -0.720 19749 2331 1 5 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.019 0.081 19749 2332 1 5 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.103 1.097 19749 2333 1 5 . 1 1 23 23 ALA H H 23 8.570 8.570 7.786 0.784 19749 2334 1 5 . 1 1 24 24 GLU N N 24 116.500 116.500 119.113 -2.613 19749 2335 1 5 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.902 -0.142 19749 2336 1 5 . 1 1 24 24 GLU C C 24 178.900 178.900 178.678 0.222 19749 2337 1 5 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.610 0.890 19749 2338 1 5 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.539 -1.039 19749 2339 1 5 . 1 1 24 24 GLU H H 24 8.200 8.200 8.184 0.016 19749 2340 1 5 . 1 1 25 25 GLU N N 25 120.000 120.000 119.762 0.238 19749 2341 1 5 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.085 -0.025 19749 2342 1 5 . 1 1 25 25 GLU C C 25 178.400 178.400 178.843 -0.443 19749 2343 1 5 . 1 1 25 25 GLU CA C 25 59.400 59.400 59.087 0.313 19749 2344 1 5 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.749 -0.249 19749 2345 1 5 . 1 1 25 25 GLU H H 25 7.690 7.690 7.739 -0.049 19749 2346 1 5 . 1 1 26 26 LEU N N 26 120.200 120.200 121.262 -1.062 19749 2347 1 5 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.038 -0.128 19749 2348 1 5 . 1 1 26 26 LEU C C 26 180.200 180.200 178.796 1.404 19749 2349 1 5 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.680 0.520 19749 2350 1 5 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.740 0.660 19749 2351 1 5 . 1 1 26 26 LEU H H 26 7.840 7.840 7.865 -0.025 19749 2352 1 5 . 1 1 27 27 LEU N N 27 117.800 117.800 119.218 -1.418 19749 2353 1 5 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.852 0.128 19749 2354 1 5 . 1 1 27 27 LEU C C 27 177.800 177.800 179.053 -1.253 19749 2355 1 5 . 1 1 27 27 LEU CA C 27 57.600 57.600 58.143 -0.543 19749 2356 1 5 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.093 0.807 19749 2357 1 5 . 1 1 27 27 LEU H H 27 7.960 7.960 7.941 0.019 19749 2358 1 5 . 1 1 28 28 ALA N N 28 120.600 120.600 121.224 -0.624 19749 2359 1 5 . 1 1 28 28 ALA HA H 28 3.900 3.900 3.980 -0.080 19749 2360 1 5 . 1 1 28 28 ALA C C 28 180.900 180.900 179.521 1.379 19749 2361 1 5 . 1 1 28 28 ALA CA C 28 55.200 55.200 55.137 0.063 19749 2362 1 5 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.120 -0.220 19749 2363 1 5 . 1 1 28 28 ALA H H 28 8.160 8.160 7.925 0.235 19749 2364 1 5 . 1 1 29 29 ARG N N 29 116.200 116.200 118.392 -2.192 19749 2365 1 5 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.080 -0.120 19749 2366 1 5 . 1 1 29 29 ARG C C 29 178.000 178.000 177.486 0.514 19749 2367 1 5 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.870 -0.270 19749 2368 1 5 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.489 -0.189 19749 2369 1 5 . 1 1 29 29 ARG H H 29 7.760 7.760 8.246 -0.486 19749 2370 1 5 . 1 1 30 30 ALA N N 30 123.200 123.200 118.909 4.291 19749 2371 1 5 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.347 -0.147 19749 2372 1 5 . 1 1 30 30 ALA C C 30 182.000 182.000 178.878 3.122 19749 2373 1 5 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.650 1.250 19749 2374 1 5 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.558 -0.858 19749 2375 1 5 . 1 1 30 30 ALA H H 30 7.580 7.580 7.585 -0.005 19749 2376 1 5 . 1 1 31 31 GLY N N 31 102.400 102.400 106.368 -3.968 19749 2377 1 5 . 1 1 31 31 GLY C C 31 174.800 174.800 175.212 -0.412 19749 2378 1 5 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.800 3.300 19749 2379 1 5 . 1 1 31 31 GLY H H 31 7.690 7.690 7.864 -0.174 19749 2380 1 5 . 1 1 32 32 ARG N N 32 121.100 121.100 119.379 1.721 19749 2381 1 5 . 1 1 32 32 ARG HA H 32 4.460 4.460 3.882 0.578 19749 2382 1 5 . 1 1 32 32 ARG C C 32 176.500 176.500 173.979 2.521 19749 2383 1 5 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.703 -2.303 19749 2384 1 5 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.577 3.023 19749 2385 1 5 . 1 1 32 32 ARG H H 32 7.040 7.040 8.388 -1.348 19749 2386 1 5 . 1 1 33 33 ASP N N 33 126.100 126.100 117.208 8.892 19749 2387 1 5 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.764 0.005 19749 2388 1 5 . 1 1 33 33 ASP C C 33 176.800 176.800 175.969 0.831 19749 2389 1 5 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.745 1.255 19749 2390 1 5 . 1 1 33 33 ASP CB C 33 41.000 41.000 42.251 -1.251 19749 2391 1 5 . 1 1 33 33 ASP H H 33 9.110 9.110 8.008 1.102 19749 2392 1 5 . 1 1 34 34 GLY N N 34 109.400 109.400 114.232 -4.832 19749 2393 1 5 . 1 1 34 34 GLY C C 34 175.800 175.800 174.712 1.088 19749 2394 1 5 . 1 1 34 34 GLY CA C 34 46.000 46.000 46.014 -0.014 19749 2395 1 5 . 1 1 34 34 GLY H H 34 9.440 9.440 8.709 0.731 19749 2396 1 5 . 1 1 35 35 SER N N 35 120.400 120.400 117.717 2.683 19749 2397 1 5 . 1 1 35 35 SER HA H 35 5.990 5.990 5.736 0.254 19749 2398 1 5 . 1 1 35 35 SER C C 35 173.400 173.400 174.184 -0.784 19749 2399 1 5 . 1 1 35 35 SER CA C 35 59.800 59.800 58.023 1.777 19749 2400 1 5 . 1 1 35 35 SER CB C 35 63.700 63.700 63.588 0.112 19749 2401 1 5 . 1 1 35 35 SER H H 35 8.050 8.050 7.902 0.148 19749 2402 1 5 . 1 1 36 36 PHE N N 36 122.000 122.000 121.514 0.486 19749 2403 1 5 . 1 1 36 36 PHE HA H 36 6.040 6.040 6.033 0.007 19749 2404 1 5 . 1 1 36 36 PHE C C 36 170.900 170.900 173.402 -2.502 19749 2405 1 5 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.187 1.113 19749 2406 1 5 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.973 1.427 19749 2407 1 5 . 1 1 36 36 PHE H H 36 8.730 8.730 8.735 -0.005 19749 2408 1 5 . 1 1 37 37 LEU N N 37 112.500 112.500 115.748 -3.248 19749 2409 1 5 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.251 -0.201 19749 2410 1 5 . 1 1 37 37 LEU C C 37 175.100 175.100 174.698 0.402 19749 2411 1 5 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.146 0.354 19749 2412 1 5 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.456 -0.256 19749 2413 1 5 . 1 1 37 37 LEU H H 37 9.000 9.000 8.859 0.141 19749 2414 1 5 . 1 1 38 38 VAL N N 38 120.200 120.200 119.571 0.629 19749 2415 1 5 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.405 0.075 19749 2416 1 5 . 1 1 38 38 VAL C C 38 173.600 173.600 175.394 -1.794 19749 2417 1 5 . 1 1 38 38 VAL CA C 38 61.200 61.200 61.156 0.044 19749 2418 1 5 . 1 1 38 38 VAL CB C 38 35.200 35.200 35.322 -0.122 19749 2419 1 5 . 1 1 38 38 VAL H H 38 9.830 9.830 8.552 1.278 19749 2420 1 5 . 1 1 39 39 ARG N N 39 124.000 124.000 121.261 2.739 19749 2421 1 5 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.222 0.298 19749 2422 1 5 . 1 1 39 39 ARG C C 39 174.700 174.700 174.187 0.513 19749 2423 1 5 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.799 -0.999 19749 2424 1 5 . 1 1 39 39 ARG CB C 39 34.200 34.200 34.275 -0.075 19749 2425 1 5 . 1 1 39 39 ARG H H 39 9.240 9.240 9.107 0.133 19749 2426 1 5 . 1 1 40 40 ASP N N 40 122.800 122.800 121.756 1.044 19749 2427 1 5 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.541 -0.591 19749 2428 1 5 . 1 1 40 40 ASP C C 40 176.500 176.500 176.226 0.274 19749 2429 1 5 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.749 2.151 19749 2430 1 5 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.449 -1.549 19749 2431 1 5 . 1 1 40 40 ASP H H 40 9.060 9.060 8.265 0.795 19749 2432 1 5 . 1 1 41 41 SER N N 41 113.600 113.600 124.026 -10.426 19749 2433 1 5 . 1 1 41 41 SER HA H 41 4.200 4.200 4.671 -0.471 19749 2434 1 5 . 1 1 41 41 SER C C 41 175.700 175.700 175.045 0.655 19749 2435 1 5 . 1 1 41 41 SER CA C 41 58.400 58.400 57.474 0.926 19749 2436 1 5 . 1 1 41 41 SER CB C 41 63.900 63.900 63.044 0.856 19749 2437 1 5 . 1 1 41 41 SER H H 41 7.870 7.870 8.691 -0.821 19749 2438 1 5 . 1 1 42 42 GLU N N 42 127.200 127.200 127.839 -0.639 19749 2439 1 5 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.008 0.382 19749 2440 1 5 . 1 1 42 42 GLU C C 42 176.500 176.500 177.335 -0.835 19749 2441 1 5 . 1 1 42 42 GLU CA C 42 57.700 57.700 59.218 -1.518 19749 2442 1 5 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.511 -0.011 19749 2443 1 5 . 1 1 42 42 GLU H H 42 9.600 9.600 8.188 1.412 19749 2444 1 5 . 1 1 43 43 SER N N 43 113.400 113.400 113.975 -0.575 19749 2445 1 5 . 1 1 43 43 SER HA H 43 4.590 4.590 4.310 0.280 19749 2446 1 5 . 1 1 43 43 SER C C 43 174.000 174.000 175.724 -1.724 19749 2447 1 5 . 1 1 43 43 SER CA C 43 59.400 59.400 60.219 -0.820 19749 2448 1 5 . 1 1 43 43 SER CB C 43 65.100 65.100 62.996 2.104 19749 2449 1 5 . 1 1 43 43 SER H H 43 8.110 8.110 8.653 -0.543 19749 2450 1 5 . 1 1 44 44 VAL N N 44 123.200 123.200 120.040 3.160 19749 2451 1 5 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.992 0.148 19749 2452 1 5 . 1 1 44 44 VAL C C 44 174.800 174.800 176.507 -1.707 19749 2453 1 5 . 1 1 44 44 VAL CA C 44 61.700 61.700 64.118 -2.418 19749 2454 1 5 . 1 1 44 44 VAL CB C 44 33.700 33.700 32.560 1.140 19749 2455 1 5 . 1 1 44 44 VAL H H 44 7.620 7.620 7.418 0.203 19749 2456 1 5 . 1 1 45 45 ALA N N 45 130.900 130.900 119.775 11.125 19749 2457 1 5 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.376 -0.226 19749 2458 1 5 . 1 1 45 45 ALA C C 45 178.700 178.700 176.974 1.726 19749 2459 1 5 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.251 1.449 19749 2460 1 5 . 1 1 45 45 ALA CB C 45 18.100 18.100 19.218 -1.118 19749 2461 1 5 . 1 1 45 45 ALA H H 45 8.480 8.480 8.281 0.199 19749 2462 1 5 . 1 1 46 46 GLY N N 46 111.400 111.400 108.058 3.342 19749 2463 1 5 . 1 1 46 46 GLY C C 46 171.700 171.700 172.530 -0.830 19749 2464 1 5 . 1 1 46 46 GLY CA C 46 45.400 45.400 45.121 0.279 19749 2465 1 5 . 1 1 46 46 GLY H H 46 8.600 8.600 8.382 0.218 19749 2466 1 5 . 1 1 47 47 ALA N N 47 117.600 117.600 123.808 -6.208 19749 2467 1 5 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.602 0.278 19749 2468 1 5 . 1 1 47 47 ALA C C 47 177.200 177.200 174.902 2.298 19749 2469 1 5 . 1 1 47 47 ALA CA C 47 49.800 49.800 51.324 -1.524 19749 2470 1 5 . 1 1 47 47 ALA CB C 47 21.700 21.700 22.145 -0.445 19749 2471 1 5 . 1 1 47 47 ALA H H 47 7.340 7.340 7.551 -0.211 19749 2472 1 5 . 1 1 48 48 PHE N N 48 117.100 117.100 118.121 -1.021 19749 2473 1 5 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.718 -0.348 19749 2474 1 5 . 1 1 48 48 PHE C C 48 174.100 174.100 174.316 -0.216 19749 2475 1 5 . 1 1 48 48 PHE CA C 48 56.500 56.500 55.162 1.338 19749 2476 1 5 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.530 0.370 19749 2477 1 5 . 1 1 48 48 PHE H H 48 9.160 9.160 8.473 0.687 19749 2478 1 5 . 1 1 49 49 ALA N N 49 125.600 125.600 120.395 5.205 19749 2479 1 5 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.172 0.018 19749 2480 1 5 . 1 1 49 49 ALA C C 49 174.900 174.900 174.937 -0.037 19749 2481 1 5 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.434 0.766 19749 2482 1 5 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.919 -2.519 19749 2483 1 5 . 1 1 49 49 ALA H H 49 9.630 9.630 9.194 0.436 19749 2484 1 5 . 1 1 50 50 LEU N N 50 127.100 127.100 122.404 4.696 19749 2485 1 5 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.488 -0.418 19749 2486 1 5 . 1 1 50 50 LEU C C 50 174.500 174.500 175.222 -0.722 19749 2487 1 5 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.608 0.393 19749 2488 1 5 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.257 -1.357 19749 2489 1 5 . 1 1 50 50 LEU H H 50 9.350 9.350 8.608 0.742 19749 2490 1 5 . 1 1 51 51 CYS N N 51 127.300 127.300 127.631 -0.331 19749 2491 1 5 . 1 1 51 51 CYS HA H 51 5.410 5.410 4.731 0.679 19749 2492 1 5 . 1 1 51 51 CYS C C 51 173.000 173.000 173.802 -0.802 19749 2493 1 5 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.026 0.174 19749 2494 1 5 . 1 1 51 51 CYS CB C 51 30.400 30.400 27.142 3.259 19749 2495 1 5 . 1 1 51 51 CYS H H 51 9.300 9.300 8.989 0.311 19749 2496 1 5 . 1 1 52 52 VAL N N 52 123.100 123.100 124.709 -1.609 19749 2497 1 5 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.317 -0.157 19749 2498 1 5 . 1 1 52 52 VAL C C 52 173.800 173.800 174.362 -0.562 19749 2499 1 5 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.313 -0.413 19749 2500 1 5 . 1 1 52 52 VAL CB C 52 36.300 36.300 35.168 1.132 19749 2501 1 5 . 1 1 52 52 VAL H H 52 9.460 9.460 8.850 0.610 19749 2502 1 5 . 1 1 53 53 LEU N N 53 130.700 130.700 126.049 4.651 19749 2503 1 5 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.315 -0.335 19749 2504 1 5 . 1 1 53 53 LEU C C 53 175.200 175.200 174.238 0.962 19749 2505 1 5 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.129 0.871 19749 2506 1 5 . 1 1 53 53 LEU CB C 53 45.300 45.300 46.588 -1.288 19749 2507 1 5 . 1 1 53 53 LEU H H 53 9.320 9.320 8.741 0.579 19749 2508 1 5 . 1 1 54 54 TYR N N 54 125.700 125.700 123.340 2.360 19749 2509 1 5 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.757 0.153 19749 2510 1 5 . 1 1 54 54 TYR C C 54 175.400 175.400 174.127 1.273 19749 2511 1 5 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.352 0.347 19749 2512 1 5 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.813 0.887 19749 2513 1 5 . 1 1 54 54 TYR H H 54 9.260 9.260 8.378 0.882 19749 2514 1 5 . 1 1 55 55 GLN N N 55 129.900 129.900 129.980 -0.080 19749 2515 1 5 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.815 -0.115 19749 2516 1 5 . 1 1 55 55 GLN C C 55 175.900 175.900 175.474 0.426 19749 2517 1 5 . 1 1 55 55 GLN CA C 55 56.700 56.700 57.077 -0.376 19749 2518 1 5 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.989 -1.389 19749 2519 1 5 . 1 1 55 55 GLN H H 55 9.750 9.750 8.887 0.863 19749 2520 1 5 . 1 1 56 56 LYS N N 56 107.600 107.600 119.043 -11.443 19749 2521 1 5 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.858 -0.418 19749 2522 1 5 . 1 1 56 56 LYS C C 56 174.800 174.800 174.741 0.059 19749 2523 1 5 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.357 1.043 19749 2524 1 5 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.559 -1.759 19749 2525 1 5 . 1 1 56 56 LYS H H 56 8.920 8.920 8.652 0.268 19749 2526 1 5 . 1 1 57 57 HIS N N 57 118.200 118.200 117.092 1.108 19749 2527 1 5 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.837 0.063 19749 2528 1 5 . 1 1 57 57 HIS C C 57 173.400 173.400 173.768 -0.368 19749 2529 1 5 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.470 -0.170 19749 2530 1 5 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.670 0.230 19749 2531 1 5 . 1 1 57 57 HIS H H 57 7.980 7.980 7.644 0.336 19749 2532 1 5 . 1 1 58 58 VAL N N 58 124.500 124.500 127.691 -3.191 19749 2533 1 5 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.631 -0.291 19749 2534 1 5 . 1 1 58 58 VAL C C 58 175.700 175.700 175.736 -0.036 19749 2535 1 5 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.646 1.454 19749 2536 1 5 . 1 1 58 58 VAL CB C 58 32.000 32.000 33.362 -1.362 19749 2537 1 5 . 1 1 58 58 VAL H H 58 8.800 8.800 8.824 -0.024 19749 2538 1 5 . 1 1 59 59 HIS N N 59 132.200 132.200 126.465 5.735 19749 2539 1 5 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.753 -0.233 19749 2540 1 5 . 1 1 59 59 HIS C C 59 174.100 174.100 173.277 0.823 19749 2541 1 5 . 1 1 59 59 HIS CA C 59 55.700 55.700 55.144 0.556 19749 2542 1 5 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.739 -1.539 19749 2543 1 5 . 1 1 59 59 HIS H H 59 9.830 9.830 9.245 0.585 19749 2544 1 5 . 1 1 60 60 THR N N 60 119.300 119.300 119.843 -0.543 19749 2545 1 5 . 1 1 60 60 THR HA H 60 5.280 5.280 5.246 0.034 19749 2546 1 5 . 1 1 60 60 THR C C 60 173.700 173.700 173.628 0.072 19749 2547 1 5 . 1 1 60 60 THR CA C 60 62.100 62.100 61.034 1.066 19749 2548 1 5 . 1 1 60 60 THR CB C 60 70.300 70.300 70.766 -0.466 19749 2549 1 5 . 1 1 60 60 THR H H 60 8.420 8.420 8.001 0.419 19749 2550 1 5 . 1 1 61 61 TYR N N 61 127.000 127.000 124.012 2.988 19749 2551 1 5 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.819 -0.019 19749 2552 1 5 . 1 1 61 61 TYR C C 61 175.000 175.000 175.291 -0.291 19749 2553 1 5 . 1 1 61 61 TYR CA C 61 56.500 56.500 57.040 -0.540 19749 2554 1 5 . 1 1 61 61 TYR CB C 61 40.900 40.900 40.484 0.416 19749 2555 1 5 . 1 1 61 61 TYR H H 61 9.810 9.810 8.811 0.999 19749 2556 1 5 . 1 1 62 62 ARG N N 62 124.200 124.200 123.233 0.967 19749 2557 1 5 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.746 -0.036 19749 2558 1 5 . 1 1 62 62 ARG C C 62 175.000 175.000 175.580 -0.580 19749 2559 1 5 . 1 1 62 62 ARG CA C 62 56.900 56.900 57.160 -0.260 19749 2560 1 5 . 1 1 62 62 ARG CB C 62 31.500 31.500 31.485 0.015 19749 2561 1 5 . 1 1 62 62 ARG H H 62 9.240 9.240 8.981 0.259 19749 2562 1 5 . 1 1 63 63 ILE N N 63 124.100 124.100 120.380 3.720 19749 2563 1 5 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.727 0.033 19749 2564 1 5 . 1 1 63 63 ILE C C 63 174.900 174.900 174.412 0.488 19749 2565 1 5 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.679 -0.179 19749 2566 1 5 . 1 1 63 63 ILE CB C 63 39.600 39.600 40.645 -1.045 19749 2567 1 5 . 1 1 63 63 ILE H H 63 8.810 8.810 8.179 0.631 19749 2568 1 5 . 1 1 64 64 LEU N N 64 126.200 126.200 128.621 -2.421 19749 2569 1 5 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.913 0.286 19749 2570 1 5 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.706 -0.106 19749 2571 1 5 . 1 1 64 64 LEU CB C 64 44.200 44.200 40.832 3.368 19749 2572 1 5 . 1 1 64 64 LEU H H 64 8.660 8.660 8.668 -0.008 19749 2573 1 5 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.474 0.756 19749 2574 1 5 . 1 1 65 65 PRO C C 65 177.000 177.000 176.410 0.590 19749 2575 1 5 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.326 -1.826 19749 2576 1 5 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.120 0.180 19749 2577 1 5 . 1 1 66 66 ASP N N 66 124.500 124.500 117.725 6.775 19749 2578 1 5 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.634 0.266 19749 2579 1 5 . 1 1 66 66 ASP C C 66 177.200 177.200 176.094 1.106 19749 2580 1 5 . 1 1 66 66 ASP CA C 66 52.600 52.600 53.693 -1.093 19749 2581 1 5 . 1 1 66 66 ASP CB C 66 43.000 43.000 42.586 0.414 19749 2582 1 5 . 1 1 66 66 ASP H H 66 8.650 8.650 7.871 0.779 19749 2583 1 5 . 1 1 67 67 GLY N N 67 108.300 108.300 112.570 -4.270 19749 2584 1 5 . 1 1 67 67 GLY C C 67 174.700 174.700 173.987 0.713 19749 2585 1 5 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.983 -0.082 19749 2586 1 5 . 1 1 67 67 GLY H H 67 8.420 8.420 8.610 -0.190 19749 2587 1 5 . 1 1 68 68 GLU N N 68 120.300 120.300 119.330 0.970 19749 2588 1 5 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.343 -0.003 19749 2589 1 5 . 1 1 68 68 GLU C C 68 176.100 176.100 175.556 0.544 19749 2590 1 5 . 1 1 68 68 GLU CA C 68 56.800 56.800 57.440 -0.640 19749 2591 1 5 . 1 1 68 68 GLU CB C 68 30.300 30.300 30.099 0.201 19749 2592 1 5 . 1 1 68 68 GLU H H 68 8.580 8.580 7.903 0.677 19749 2593 1 5 . 1 1 69 69 ASP N N 69 115.000 115.000 117.488 -2.488 19749 2594 1 5 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.612 -0.092 19749 2595 1 5 . 1 1 69 69 ASP C C 69 175.500 175.500 174.932 0.568 19749 2596 1 5 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.456 1.444 19749 2597 1 5 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.745 -1.145 19749 2598 1 5 . 1 1 69 69 ASP H H 69 8.360 8.360 8.086 0.274 19749 2599 1 5 . 1 1 70 70 PHE N N 70 117.200 117.200 117.950 -0.750 19749 2600 1 5 . 1 1 70 70 PHE HA H 70 4.990 4.990 4.948 0.042 19749 2601 1 5 . 1 1 70 70 PHE C C 70 175.700 175.700 174.713 0.987 19749 2602 1 5 . 1 1 70 70 PHE CA C 70 57.600 57.600 55.611 1.989 19749 2603 1 5 . 1 1 70 70 PHE CB C 70 41.700 41.700 40.813 0.887 19749 2604 1 5 . 1 1 70 70 PHE H H 70 8.120 8.120 6.987 1.133 19749 2605 1 5 . 1 1 71 71 LEU N N 71 120.900 120.900 119.477 1.423 19749 2606 1 5 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.273 -0.323 19749 2607 1 5 . 1 1 71 71 LEU C C 71 175.900 175.900 176.160 -0.260 19749 2608 1 5 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.623 0.277 19749 2609 1 5 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.464 3.236 19749 2610 1 5 . 1 1 71 71 LEU H H 71 9.330 9.330 8.650 0.680 19749 2611 1 5 . 1 1 72 72 ALA N N 72 121.500 121.500 127.215 -5.715 19749 2612 1 5 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.812 0.398 19749 2613 1 5 . 1 1 72 72 ALA C C 72 176.900 176.900 176.341 0.559 19749 2614 1 5 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.649 0.851 19749 2615 1 5 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.622 2.378 19749 2616 1 5 . 1 1 72 72 ALA H H 72 8.670 8.670 8.367 0.303 19749 2617 1 5 . 1 1 73 73 VAL N N 73 122.700 122.700 124.716 -2.016 19749 2618 1 5 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.674 -0.094 19749 2619 1 5 . 1 1 73 73 VAL C C 73 175.100 175.100 176.292 -1.192 19749 2620 1 5 . 1 1 73 73 VAL CA C 73 61.800 61.800 62.027 -0.227 19749 2621 1 5 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.344 0.456 19749 2622 1 5 . 1 1 73 73 VAL H H 73 9.310 9.310 8.617 0.693 19749 2623 1 5 . 1 1 74 74 GLN N N 74 128.600 128.600 127.713 0.887 19749 2624 1 5 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.626 0.084 19749 2625 1 5 . 1 1 74 74 GLN C C 74 175.900 175.900 175.828 0.072 19749 2626 1 5 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.499 0.600 19749 2627 1 5 . 1 1 74 74 GLN CB C 74 29.700 29.700 28.098 1.602 19749 2628 1 5 . 1 1 74 74 GLN H H 74 9.090 9.090 8.480 0.610 19749 2629 1 5 . 1 1 75 75 THR N N 75 117.700 117.700 121.955 -4.255 19749 2630 1 5 . 1 1 75 75 THR HA H 75 4.490 4.490 4.063 0.427 19749 2631 1 5 . 1 1 75 75 THR C C 75 174.700 174.700 174.491 0.209 19749 2632 1 5 . 1 1 75 75 THR CA C 75 62.200 62.200 63.738 -1.538 19749 2633 1 5 . 1 1 75 75 THR CB C 75 69.800 69.800 69.109 0.691 19749 2634 1 5 . 1 1 75 75 THR H H 75 8.510 8.510 7.991 0.519 19749 2635 1 5 . 1 1 76 76 SER N N 76 115.300 115.300 114.815 0.485 19749 2636 1 5 . 1 1 76 76 SER HA H 76 4.540 4.540 4.717 -0.177 19749 2637 1 5 . 1 1 76 76 SER C C 76 174.200 174.200 172.849 1.351 19749 2638 1 5 . 1 1 76 76 SER CA C 76 58.600 58.600 57.941 0.659 19749 2639 1 5 . 1 1 76 76 SER CB C 76 64.200 64.200 66.173 -1.973 19749 2640 1 5 . 1 1 76 76 SER H H 76 8.250 8.250 8.104 0.146 19749 2641 1 5 . 1 1 77 77 GLN N N 77 120.500 120.500 125.259 -4.759 19749 2642 1 5 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.256 -0.036 19749 2643 1 5 . 1 1 77 77 GLN C C 77 176.900 176.900 176.562 0.338 19749 2644 1 5 . 1 1 77 77 GLN CA C 77 57.300 57.300 56.972 0.328 19749 2645 1 5 . 1 1 77 77 GLN CB C 77 28.900 28.900 27.452 1.448 19749 2646 1 5 . 1 1 77 77 GLN H H 77 8.510 8.510 8.898 -0.388 19749 2647 1 5 . 1 1 78 78 GLY N N 78 110.300 110.300 111.495 -1.195 19749 2648 1 5 . 1 1 78 78 GLY C C 78 173.800 173.800 173.414 0.386 19749 2649 1 5 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.163 0.337 19749 2650 1 5 . 1 1 78 78 GLY H H 78 8.610 8.610 8.404 0.206 19749 2651 1 5 . 1 1 79 79 VAL N N 79 119.500 119.500 120.687 -1.187 19749 2652 1 5 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.730 -0.180 19749 2653 1 5 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.662 0.838 19749 2654 1 5 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.712 0.088 19749 2655 1 5 . 1 1 79 79 VAL H H 79 7.400 7.400 7.688 -0.288 19749 2656 1 5 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.471 -0.051 19749 2657 1 5 . 1 1 80 80 PRO C C 80 176.900 176.900 176.070 0.830 19749 2658 1 5 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.146 0.154 19749 2659 1 5 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.332 0.968 19749 2660 1 5 . 1 1 81 81 VAL N N 81 121.600 121.600 124.117 -2.517 19749 2661 1 5 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.008 0.032 19749 2662 1 5 . 1 1 81 81 VAL C C 81 175.800 175.800 175.739 0.061 19749 2663 1 5 . 1 1 81 81 VAL CA C 81 63.000 63.000 61.822 1.178 19749 2664 1 5 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.476 0.324 19749 2665 1 5 . 1 1 81 81 VAL H H 81 8.390 8.390 8.281 0.109 19749 2666 1 5 . 1 1 82 82 ARG N N 82 125.400 125.400 127.498 -2.098 19749 2667 1 5 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.511 -0.061 19749 2668 1 5 . 1 1 82 82 ARG C C 82 173.900 173.900 174.718 -0.818 19749 2669 1 5 . 1 1 82 82 ARG CA C 82 55.000 55.000 53.440 1.560 19749 2670 1 5 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.395 0.905 19749 2671 1 5 . 1 1 82 82 ARG H H 82 8.170 8.170 8.680 -0.510 19749 2672 1 5 . 1 1 83 83 ARG N N 83 121.200 121.200 121.520 -0.320 19749 2673 1 5 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.249 1.081 19749 2674 1 5 . 1 1 83 83 ARG C C 83 175.600 175.600 174.607 0.993 19749 2675 1 5 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.447 -0.947 19749 2676 1 5 . 1 1 83 83 ARG CB C 83 33.500 33.500 30.691 2.809 19749 2677 1 5 . 1 1 83 83 ARG H H 83 8.060 8.060 8.199 -0.139 19749 2678 1 5 . 1 1 84 84 PHE N N 84 118.600 118.600 122.411 -3.811 19749 2679 1 5 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.801 0.149 19749 2680 1 5 . 1 1 84 84 PHE C C 84 175.200 175.200 175.527 -0.327 19749 2681 1 5 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.657 0.443 19749 2682 1 5 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.010 2.490 19749 2683 1 5 . 1 1 84 84 PHE H H 84 9.320 9.320 8.522 0.798 19749 2684 1 5 . 1 1 85 85 GLN N N 85 120.800 120.800 118.026 2.774 19749 2685 1 5 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.586 -0.536 19749 2686 1 5 . 1 1 85 85 GLN C C 85 176.000 176.000 176.099 -0.099 19749 2687 1 5 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.767 1.633 19749 2688 1 5 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.380 -0.080 19749 2689 1 5 . 1 1 85 85 GLN H H 85 9.660 9.660 8.814 0.846 19749 2690 1 5 . 1 1 86 86 THR N N 86 103.000 103.000 113.241 -10.241 19749 2691 1 5 . 1 1 86 86 THR HA H 86 4.810 4.810 4.773 0.037 19749 2692 1 5 . 1 1 86 86 THR C C 86 174.500 174.500 175.182 -0.682 19749 2693 1 5 . 1 1 86 86 THR CA C 86 58.700 58.700 59.995 -1.295 19749 2694 1 5 . 1 1 86 86 THR CB C 86 73.400 73.400 70.898 2.502 19749 2695 1 5 . 1 1 86 86 THR H H 86 7.260 7.260 7.594 -0.334 19749 2696 1 5 . 1 1 87 87 LEU N N 87 122.200 122.200 123.564 -1.364 19749 2697 1 5 . 1 1 87 87 LEU HA H 87 3.830 3.830 4.078 -0.248 19749 2698 1 5 . 1 1 87 87 LEU C C 87 178.600 178.600 178.601 -0.001 19749 2699 1 5 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.256 -0.156 19749 2700 1 5 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.243 1.157 19749 2701 1 5 . 1 1 87 87 LEU H H 87 9.150 9.150 8.783 0.367 19749 2702 1 5 . 1 1 88 88 GLY N N 88 105.200 105.200 106.605 -1.405 19749 2703 1 5 . 1 1 88 88 GLY C C 88 176.900 176.900 176.499 0.401 19749 2704 1 5 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.110 0.290 19749 2705 1 5 . 1 1 88 88 GLY H H 88 8.870 8.870 8.705 0.165 19749 2706 1 5 . 1 1 89 89 GLU N N 89 122.000 122.000 121.602 0.398 19749 2707 1 5 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.130 -0.200 19749 2708 1 5 . 1 1 89 89 GLU C C 89 177.600 177.600 178.515 -0.915 19749 2709 1 5 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.426 0.474 19749 2710 1 5 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.152 1.847 19749 2711 1 5 . 1 1 89 89 GLU H H 89 7.670 7.670 7.702 -0.032 19749 2712 1 5 . 1 1 90 90 LEU N N 90 122.300 122.300 121.383 0.917 19749 2713 1 5 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.187 0.243 19749 2714 1 5 . 1 1 90 90 LEU C C 90 177.200 177.200 178.097 -0.897 19749 2715 1 5 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.169 1.532 19749 2716 1 5 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.312 0.788 19749 2717 1 5 . 1 1 90 90 LEU H H 90 6.880 6.880 6.982 -0.102 19749 2718 1 5 . 1 1 91 91 ILE N N 91 118.800 118.800 116.941 1.859 19749 2719 1 5 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.376 -0.266 19749 2720 1 5 . 1 1 91 91 ILE C C 91 177.700 177.700 178.397 -0.697 19749 2721 1 5 . 1 1 91 91 ILE CA C 91 61.400 61.400 63.007 -1.607 19749 2722 1 5 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.702 -0.302 19749 2723 1 5 . 1 1 91 91 ILE H H 91 7.880 7.880 7.621 0.259 19749 2724 1 5 . 1 1 92 92 GLY N N 92 103.900 103.900 108.120 -4.220 19749 2725 1 5 . 1 1 92 92 GLY C C 92 176.400 176.400 175.715 0.685 19749 2726 1 5 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.915 -0.115 19749 2727 1 5 . 1 1 92 92 GLY H H 92 7.570 7.570 7.604 -0.034 19749 2728 1 5 . 1 1 93 93 LEU N N 93 123.200 123.200 121.313 1.887 19749 2729 1 5 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.114 -0.034 19749 2730 1 5 . 1 1 93 93 LEU C C 93 179.100 179.100 179.182 -0.082 19749 2731 1 5 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.416 -0.015 19749 2732 1 5 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.581 -1.781 19749 2733 1 5 . 1 1 93 93 LEU H H 93 7.360 7.360 7.578 -0.218 19749 2734 1 5 . 1 1 94 94 TYR N N 94 114.000 114.000 117.600 -3.600 19749 2735 1 5 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.422 -0.192 19749 2736 1 5 . 1 1 94 94 TYR C C 94 175.600 175.600 177.704 -2.104 19749 2737 1 5 . 1 1 94 94 TYR CA C 94 60.200 60.200 57.077 3.123 19749 2738 1 5 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.663 -0.063 19749 2739 1 5 . 1 1 94 94 TYR H H 94 7.380 7.380 8.166 -0.786 19749 2740 1 5 . 1 1 95 95 ALA N N 95 123.100 123.100 120.769 2.331 19749 2741 1 5 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.275 0.085 19749 2742 1 5 . 1 1 95 95 ALA C C 95 177.300 177.300 177.457 -0.157 19749 2743 1 5 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.379 0.521 19749 2744 1 5 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.946 0.054 19749 2745 1 5 . 1 1 95 95 ALA H H 95 7.330 7.330 7.347 -0.017 19749 2746 1 5 . 1 1 96 96 GLN N N 96 116.500 116.500 118.328 -1.828 19749 2747 1 5 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.657 -0.117 19749 2748 1 5 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.848 0.152 19749 2749 1 5 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.445 0.155 19749 2750 1 5 . 1 1 96 96 GLN H H 96 7.620 7.620 7.319 0.301 19749 2751 1 5 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.210 0.030 19749 2752 1 5 . 1 1 97 97 PRO C C 97 176.800 176.800 175.882 0.918 19749 2753 1 5 . 1 1 97 97 PRO CA C 97 62.800 62.800 64.182 -1.382 19749 2754 1 5 . 1 1 97 97 PRO CB C 97 32.800 32.800 31.809 0.991 19749 2755 1 5 . 1 1 98 98 ASN N N 98 114.900 114.900 122.326 -7.426 19749 2756 1 5 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.580 -0.100 19749 2757 1 5 . 1 1 98 98 ASN C C 98 175.100 175.100 174.888 0.212 19749 2758 1 5 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.587 0.713 19749 2759 1 5 . 1 1 98 98 ASN CB C 98 36.900 36.900 38.329 -1.429 19749 2760 1 5 . 1 1 98 98 ASN H H 98 8.960 8.960 8.242 0.718 19749 2761 1 5 . 1 1 99 99 GLN N N 99 115.400 115.400 119.119 -3.719 19749 2762 1 5 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.218 0.282 19749 2763 1 5 . 1 1 99 99 GLN C C 99 176.100 176.100 174.369 1.731 19749 2764 1 5 . 1 1 99 99 GLN CA C 99 54.300 54.300 56.054 -1.754 19749 2765 1 5 . 1 1 99 99 GLN CB C 99 29.600 29.600 28.402 1.198 19749 2766 1 5 . 1 1 99 99 GLN H H 99 8.610 8.610 8.147 0.463 19749 2767 1 5 . 1 1 100 100 GLY N N 100 107.400 107.400 106.471 0.929 19749 2768 1 5 . 1 1 100 100 GLY C C 100 174.600 174.600 174.074 0.526 19749 2769 1 5 . 1 1 100 100 GLY CA C 100 45.400 45.400 44.584 0.816 19749 2770 1 5 . 1 1 100 100 GLY H H 100 8.460 8.460 8.322 0.138 19749 2771 1 5 . 1 1 101 101 LEU N N 101 118.400 118.400 121.354 -2.954 19749 2772 1 5 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.058 0.322 19749 2773 1 5 . 1 1 101 101 LEU C C 101 178.000 178.000 178.145 -0.145 19749 2774 1 5 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.092 -1.192 19749 2775 1 5 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.274 0.126 19749 2776 1 5 . 1 1 101 101 LEU H H 101 8.020 8.020 7.510 0.510 19749 2777 1 5 . 1 1 102 102 VAL N N 102 114.700 114.700 121.252 -6.552 19749 2778 1 5 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.550 0.040 19749 2779 1 5 . 1 1 102 102 VAL C C 102 173.600 173.600 176.107 -2.507 19749 2780 1 5 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.542 -0.942 19749 2781 1 5 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.020 -0.920 19749 2782 1 5 . 1 1 102 102 VAL H H 102 7.260 7.260 8.384 -1.124 19749 2783 1 5 . 1 1 103 103 CYS N N 103 112.400 112.400 115.776 -3.376 19749 2784 1 5 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.219 0.021 19749 2785 1 5 . 1 1 103 103 CYS C C 103 170.600 170.600 173.008 -2.408 19749 2786 1 5 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.840 -1.740 19749 2787 1 5 . 1 1 103 103 CYS CB C 103 29.600 29.600 26.538 3.062 19749 2788 1 5 . 1 1 103 103 CYS H H 103 6.920 6.920 7.676 -0.756 19749 2789 1 5 . 1 1 104 104 ALA N N 104 119.600 119.600 120.660 -1.060 19749 2790 1 5 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.828 0.382 19749 2791 1 5 . 1 1 104 104 ALA C C 104 176.300 176.300 175.910 0.390 19749 2792 1 5 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.515 -0.915 19749 2793 1 5 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.314 1.086 19749 2794 1 5 . 1 1 104 104 ALA H H 104 7.840 7.840 7.500 0.340 19749 2795 1 5 . 1 1 105 105 LEU N N 105 117.100 117.100 119.941 -2.841 19749 2796 1 5 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.984 -0.204 19749 2797 1 5 . 1 1 105 105 LEU C C 105 175.400 175.400 177.581 -2.181 19749 2798 1 5 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.750 -1.150 19749 2799 1 5 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.643 -2.243 19749 2800 1 5 . 1 1 105 105 LEU H H 105 7.610 7.610 8.088 -0.478 19749 2801 1 5 . 1 1 106 106 LEU N N 106 124.700 124.700 126.962 -2.262 19749 2802 1 5 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.443 0.157 19749 2803 1 5 . 1 1 106 106 LEU C C 106 177.600 177.600 177.436 0.164 19749 2804 1 5 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.673 -0.373 19749 2805 1 5 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.073 2.927 19749 2806 1 5 . 1 1 106 106 LEU H H 106 8.160 8.160 8.533 -0.373 19749 2807 1 5 . 1 1 107 107 LEU N N 107 121.400 121.400 119.986 1.414 19749 2808 1 5 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.912 0.198 19749 2809 1 5 . 1 1 107 107 LEU CA C 107 51.700 51.700 51.608 0.092 19749 2810 1 5 . 1 1 107 107 LEU CB C 107 44.600 44.600 45.615 -1.015 19749 2811 1 5 . 1 1 107 107 LEU H H 107 7.930 7.930 8.112 -0.182 19749 2812 1 5 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.337 -0.907 19749 2813 1 5 . 1 1 108 108 PRO C C 108 176.500 176.500 175.754 0.746 19749 2814 1 5 . 1 1 108 108 PRO CA C 108 62.400 62.400 61.326 1.074 19749 2815 1 5 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.037 0.763 19749 2816 1 6 . 1 1 10 10 HIS C C 10 175.000 175.000 174.960 0.040 19749 2817 1 6 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.709 0.191 19749 2818 1 6 . 1 1 10 10 HIS CB C 10 29.900 29.900 29.958 -0.058 19749 2819 1 6 . 1 1 11 11 MET N N 11 120.400 120.400 129.114 -8.714 19749 2820 1 6 . 1 1 11 11 MET HA H 11 4.000 4.000 4.361 -0.361 19749 2821 1 6 . 1 1 11 11 MET C C 11 177.500 177.500 175.582 1.918 19749 2822 1 6 . 1 1 11 11 MET CA C 11 54.100 54.100 53.441 0.659 19749 2823 1 6 . 1 1 11 11 MET CB C 11 31.500 31.500 29.766 1.734 19749 2824 1 6 . 1 1 11 11 MET H H 11 7.800 7.800 8.262 -0.462 19749 2825 1 6 . 1 1 12 12 SER N N 12 118.600 118.600 117.677 0.923 19749 2826 1 6 . 1 1 12 12 SER HA H 12 3.860 3.860 4.015 -0.155 19749 2827 1 6 . 1 1 12 12 SER C C 12 173.900 173.900 174.284 -0.384 19749 2828 1 6 . 1 1 12 12 SER CA C 12 61.200 61.200 61.414 -0.214 19749 2829 1 6 . 1 1 12 12 SER CB C 12 62.500 62.500 61.989 0.511 19749 2830 1 6 . 1 1 12 12 SER H H 12 8.520 8.520 8.242 0.278 19749 2831 1 6 . 1 1 13 13 TRP N N 13 113.400 113.400 119.132 -5.732 19749 2832 1 6 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.762 0.128 19749 2833 1 6 . 1 1 13 13 TRP C C 13 176.000 176.000 174.988 1.012 19749 2834 1 6 . 1 1 13 13 TRP CA C 13 53.800 53.800 54.837 -1.037 19749 2835 1 6 . 1 1 13 13 TRP CB C 13 30.100 30.100 28.883 1.217 19749 2836 1 6 . 1 1 13 13 TRP H H 13 6.180 6.180 7.084 -0.904 19749 2837 1 6 . 1 1 14 14 TYR N N 14 123.200 123.200 123.350 -0.150 19749 2838 1 6 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.719 -0.149 19749 2839 1 6 . 1 1 14 14 TYR C C 14 174.700 174.700 173.374 1.326 19749 2840 1 6 . 1 1 14 14 TYR CA C 14 56.000 56.000 55.901 0.099 19749 2841 1 6 . 1 1 14 14 TYR CB C 14 37.900 37.900 39.601 -1.701 19749 2842 1 6 . 1 1 14 14 TYR H H 14 7.430 7.430 7.462 -0.032 19749 2843 1 6 . 1 1 15 15 HIS N N 15 126.900 126.900 126.891 0.009 19749 2844 1 6 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.723 -0.173 19749 2845 1 6 . 1 1 15 15 HIS C C 15 173.300 173.300 174.097 -0.797 19749 2846 1 6 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.449 -1.349 19749 2847 1 6 . 1 1 15 15 HIS CB C 15 30.400 30.400 31.530 -1.130 19749 2848 1 6 . 1 1 15 15 HIS H H 15 8.680 8.680 8.195 0.485 19749 2849 1 6 . 1 1 16 16 ARG N N 16 122.500 122.500 124.261 -1.761 19749 2850 1 6 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.145 -0.195 19749 2851 1 6 . 1 1 16 16 ARG C C 16 176.100 176.100 176.936 -0.836 19749 2852 1 6 . 1 1 16 16 ARG CA C 16 57.300 57.300 56.448 0.852 19749 2853 1 6 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.428 -0.328 19749 2854 1 6 . 1 1 16 16 ARG H H 16 7.740 7.740 8.287 -0.547 19749 2855 1 6 . 1 1 17 17 ASP N N 17 119.100 119.100 119.864 -0.764 19749 2856 1 6 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.308 0.212 19749 2857 1 6 . 1 1 17 17 ASP C C 17 174.900 174.900 174.696 0.204 19749 2858 1 6 . 1 1 17 17 ASP CA C 17 54.800 54.800 55.706 -0.906 19749 2859 1 6 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.859 -0.959 19749 2860 1 6 . 1 1 17 17 ASP H H 17 8.900 8.900 8.626 0.274 19749 2861 1 6 . 1 1 18 18 LEU N N 18 121.000 121.000 122.289 -1.289 19749 2862 1 6 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.654 -0.144 19749 2863 1 6 . 1 1 18 18 LEU C C 18 176.300 176.300 175.336 0.964 19749 2864 1 6 . 1 1 18 18 LEU CA C 18 54.500 54.500 53.684 0.816 19749 2865 1 6 . 1 1 18 18 LEU CB C 18 44.800 44.800 43.569 1.231 19749 2866 1 6 . 1 1 18 18 LEU H H 18 7.280 7.280 7.377 -0.097 19749 2867 1 6 . 1 1 19 19 SER N N 19 123.400 123.400 120.694 2.706 19749 2868 1 6 . 1 1 19 19 SER HA H 19 4.440 4.440 4.668 -0.228 19749 2869 1 6 . 1 1 19 19 SER C C 19 173.900 173.900 175.578 -1.678 19749 2870 1 6 . 1 1 19 19 SER CA C 19 57.700 57.700 57.757 -0.057 19749 2871 1 6 . 1 1 19 19 SER CB C 19 65.200 65.200 65.470 -0.270 19749 2872 1 6 . 1 1 19 19 SER H H 19 8.650 8.650 8.746 -0.096 19749 2873 1 6 . 1 1 20 20 ARG N N 20 121.700 121.700 122.798 -1.098 19749 2874 1 6 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.066 -0.356 19749 2875 1 6 . 1 1 20 20 ARG C C 20 178.200 178.200 177.933 0.267 19749 2876 1 6 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.010 1.590 19749 2877 1 6 . 1 1 20 20 ARG CB C 20 30.100 30.100 29.245 0.855 19749 2878 1 6 . 1 1 20 20 ARG H H 20 8.970 8.970 8.487 0.483 19749 2879 1 6 . 1 1 21 21 ALA N N 21 119.900 119.900 122.398 -2.498 19749 2880 1 6 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.121 -0.081 19749 2881 1 6 . 1 1 21 21 ALA C C 21 180.600 180.600 179.172 1.428 19749 2882 1 6 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.703 0.497 19749 2883 1 6 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.128 0.172 19749 2884 1 6 . 1 1 21 21 ALA H H 21 8.670 8.670 8.391 0.279 19749 2885 1 6 . 1 1 22 22 ALA N N 22 121.000 121.000 120.262 0.738 19749 2886 1 6 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.047 0.083 19749 2887 1 6 . 1 1 22 22 ALA C C 22 180.900 180.900 179.268 1.632 19749 2888 1 6 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.233 0.467 19749 2889 1 6 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.533 0.467 19749 2890 1 6 . 1 1 22 22 ALA H H 22 7.890 7.890 7.604 0.286 19749 2891 1 6 . 1 1 23 23 ALA N N 23 121.700 121.700 122.270 -0.570 19749 2892 1 6 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.014 -0.134 19749 2893 1 6 . 1 1 23 23 ALA C C 23 178.700 178.700 179.355 -0.655 19749 2894 1 6 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.039 0.061 19749 2895 1 6 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.062 1.137 19749 2896 1 6 . 1 1 23 23 ALA H H 23 8.570 8.570 8.110 0.460 19749 2897 1 6 . 1 1 24 24 GLU N N 24 116.500 116.500 120.190 -3.690 19749 2898 1 6 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.970 -0.210 19749 2899 1 6 . 1 1 24 24 GLU C C 24 178.900 178.900 178.685 0.215 19749 2900 1 6 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.552 0.948 19749 2901 1 6 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.373 -0.873 19749 2902 1 6 . 1 1 24 24 GLU H H 24 8.200 8.200 8.221 -0.021 19749 2903 1 6 . 1 1 25 25 GLU N N 25 120.000 120.000 119.912 0.088 19749 2904 1 6 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.074 -0.014 19749 2905 1 6 . 1 1 25 25 GLU C C 25 178.400 178.400 178.935 -0.535 19749 2906 1 6 . 1 1 25 25 GLU CA C 25 59.400 59.400 59.121 0.279 19749 2907 1 6 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.717 -0.217 19749 2908 1 6 . 1 1 25 25 GLU H H 25 7.690 7.690 7.753 -0.063 19749 2909 1 6 . 1 1 26 26 LEU N N 26 120.200 120.200 121.096 -0.896 19749 2910 1 6 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.025 -0.115 19749 2911 1 6 . 1 1 26 26 LEU C C 26 180.200 180.200 179.014 1.186 19749 2912 1 6 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.826 0.374 19749 2913 1 6 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.562 0.838 19749 2914 1 6 . 1 1 26 26 LEU H H 26 7.840 7.840 7.759 0.081 19749 2915 1 6 . 1 1 27 27 LEU N N 27 117.800 117.800 118.220 -0.420 19749 2916 1 6 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.913 0.067 19749 2917 1 6 . 1 1 27 27 LEU C C 27 177.800 177.800 179.076 -1.276 19749 2918 1 6 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.918 -0.318 19749 2919 1 6 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.315 0.585 19749 2920 1 6 . 1 1 27 27 LEU H H 27 7.960 7.960 8.287 -0.327 19749 2921 1 6 . 1 1 28 28 ALA N N 28 120.600 120.600 121.054 -0.454 19749 2922 1 6 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.044 -0.144 19749 2923 1 6 . 1 1 28 28 ALA C C 28 180.900 180.900 178.861 2.039 19749 2924 1 6 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.857 0.343 19749 2925 1 6 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.215 -0.315 19749 2926 1 6 . 1 1 28 28 ALA H H 28 8.160 8.160 7.907 0.253 19749 2927 1 6 . 1 1 29 29 ARG N N 29 116.200 116.200 117.647 -1.447 19749 2928 1 6 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.173 -0.213 19749 2929 1 6 . 1 1 29 29 ARG C C 29 178.000 178.000 177.745 0.255 19749 2930 1 6 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.155 0.445 19749 2931 1 6 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.764 -0.464 19749 2932 1 6 . 1 1 29 29 ARG H H 29 7.760 7.760 8.022 -0.262 19749 2933 1 6 . 1 1 30 30 ALA N N 30 123.200 123.200 119.751 3.449 19749 2934 1 6 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.400 -0.200 19749 2935 1 6 . 1 1 30 30 ALA C C 30 182.000 182.000 178.467 3.533 19749 2936 1 6 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.575 1.325 19749 2937 1 6 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.695 -0.995 19749 2938 1 6 . 1 1 30 30 ALA H H 30 7.580 7.580 7.780 -0.200 19749 2939 1 6 . 1 1 31 31 GLY N N 31 102.400 102.400 105.834 -3.434 19749 2940 1 6 . 1 1 31 31 GLY C C 31 174.800 174.800 174.945 -0.145 19749 2941 1 6 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.825 3.275 19749 2942 1 6 . 1 1 31 31 GLY H H 31 7.690 7.690 7.932 -0.242 19749 2943 1 6 . 1 1 32 32 ARG N N 32 121.100 121.100 120.445 0.655 19749 2944 1 6 . 1 1 32 32 ARG HA H 32 4.460 4.460 3.913 0.547 19749 2945 1 6 . 1 1 32 32 ARG C C 32 176.500 176.500 173.676 2.824 19749 2946 1 6 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.273 -1.873 19749 2947 1 6 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.230 3.370 19749 2948 1 6 . 1 1 32 32 ARG H H 32 7.040 7.040 8.281 -1.241 19749 2949 1 6 . 1 1 33 33 ASP N N 33 126.100 126.100 117.528 8.572 19749 2950 1 6 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.637 0.133 19749 2951 1 6 . 1 1 33 33 ASP C C 33 176.800 176.800 175.771 1.029 19749 2952 1 6 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.613 1.387 19749 2953 1 6 . 1 1 33 33 ASP CB C 33 41.000 41.000 41.834 -0.834 19749 2954 1 6 . 1 1 33 33 ASP H H 33 9.110 9.110 7.890 1.220 19749 2955 1 6 . 1 1 34 34 GLY N N 34 109.400 109.400 112.794 -3.394 19749 2956 1 6 . 1 1 34 34 GLY C C 34 175.800 175.800 174.602 1.198 19749 2957 1 6 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.620 0.380 19749 2958 1 6 . 1 1 34 34 GLY H H 34 9.440 9.440 8.429 1.011 19749 2959 1 6 . 1 1 35 35 SER N N 35 120.400 120.400 117.907 2.493 19749 2960 1 6 . 1 1 35 35 SER HA H 35 5.990 5.990 5.589 0.401 19749 2961 1 6 . 1 1 35 35 SER C C 35 173.400 173.400 174.072 -0.672 19749 2962 1 6 . 1 1 35 35 SER CA C 35 59.800 59.800 58.508 1.292 19749 2963 1 6 . 1 1 35 35 SER CB C 35 63.700 63.700 63.380 0.320 19749 2964 1 6 . 1 1 35 35 SER H H 35 8.050 8.050 7.773 0.277 19749 2965 1 6 . 1 1 36 36 PHE N N 36 122.000 122.000 122.692 -0.692 19749 2966 1 6 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.846 0.194 19749 2967 1 6 . 1 1 36 36 PHE C C 36 170.900 170.900 173.425 -2.525 19749 2968 1 6 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.342 0.958 19749 2969 1 6 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.964 1.436 19749 2970 1 6 . 1 1 36 36 PHE H H 36 8.730 8.730 8.781 -0.051 19749 2971 1 6 . 1 1 37 37 LEU N N 37 112.500 112.500 114.902 -2.402 19749 2972 1 6 . 1 1 37 37 LEU HA H 37 5.050 5.050 4.855 0.195 19749 2973 1 6 . 1 1 37 37 LEU C C 37 175.100 175.100 174.822 0.278 19749 2974 1 6 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.341 0.159 19749 2975 1 6 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.284 -0.084 19749 2976 1 6 . 1 1 37 37 LEU H H 37 9.000 9.000 8.803 0.197 19749 2977 1 6 . 1 1 38 38 VAL N N 38 120.200 120.200 118.787 1.413 19749 2978 1 6 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.357 0.123 19749 2979 1 6 . 1 1 38 38 VAL C C 38 173.600 173.600 175.754 -2.154 19749 2980 1 6 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.992 0.208 19749 2981 1 6 . 1 1 38 38 VAL CB C 38 35.200 35.200 35.201 -0.001 19749 2982 1 6 . 1 1 38 38 VAL H H 38 9.830 9.830 9.166 0.664 19749 2983 1 6 . 1 1 39 39 ARG N N 39 124.000 124.000 123.736 0.264 19749 2984 1 6 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.002 0.518 19749 2985 1 6 . 1 1 39 39 ARG C C 39 174.700 174.700 174.301 0.399 19749 2986 1 6 . 1 1 39 39 ARG CA C 39 52.800 52.800 54.686 -1.886 19749 2987 1 6 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.309 0.891 19749 2988 1 6 . 1 1 39 39 ARG H H 39 9.240 9.240 9.315 -0.075 19749 2989 1 6 . 1 1 40 40 ASP N N 40 122.800 122.800 119.912 2.888 19749 2990 1 6 . 1 1 40 40 ASP HA H 40 4.950 4.950 4.869 0.081 19749 2991 1 6 . 1 1 40 40 ASP C C 40 176.500 176.500 175.846 0.654 19749 2992 1 6 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.219 2.680 19749 2993 1 6 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.708 -0.808 19749 2994 1 6 . 1 1 40 40 ASP H H 40 9.060 9.060 8.387 0.673 19749 2995 1 6 . 1 1 41 41 SER N N 41 113.600 113.600 117.307 -3.707 19749 2996 1 6 . 1 1 41 41 SER HA H 41 4.200 4.200 4.305 -0.105 19749 2997 1 6 . 1 1 41 41 SER C C 41 175.700 175.700 174.650 1.050 19749 2998 1 6 . 1 1 41 41 SER CA C 41 58.400 58.400 59.202 -0.801 19749 2999 1 6 . 1 1 41 41 SER CB C 41 63.900 63.900 63.914 -0.014 19749 3000 1 6 . 1 1 41 41 SER H H 41 7.870 7.870 8.068 -0.198 19749 3001 1 6 . 1 1 42 42 GLU N N 42 127.200 127.200 124.711 2.489 19749 3002 1 6 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.115 0.275 19749 3003 1 6 . 1 1 42 42 GLU C C 42 176.500 176.500 175.876 0.624 19749 3004 1 6 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.951 0.749 19749 3005 1 6 . 1 1 42 42 GLU CB C 42 29.500 29.500 27.942 1.558 19749 3006 1 6 . 1 1 42 42 GLU H H 42 9.600 9.600 8.671 0.929 19749 3007 1 6 . 1 1 43 43 SER N N 43 113.400 113.400 115.159 -1.759 19749 3008 1 6 . 1 1 43 43 SER HA H 43 4.590 4.590 4.085 0.505 19749 3009 1 6 . 1 1 43 43 SER C C 43 174.000 174.000 174.527 -0.527 19749 3010 1 6 . 1 1 43 43 SER CA C 43 59.400 59.400 59.698 -0.298 19749 3011 1 6 . 1 1 43 43 SER CB C 43 65.100 65.100 62.036 3.064 19749 3012 1 6 . 1 1 43 43 SER H H 43 8.110 8.110 8.661 -0.551 19749 3013 1 6 . 1 1 44 44 VAL N N 44 123.200 123.200 114.696 8.504 19749 3014 1 6 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.995 0.145 19749 3015 1 6 . 1 1 44 44 VAL C C 44 174.800 174.800 176.711 -1.911 19749 3016 1 6 . 1 1 44 44 VAL CA C 44 61.700 61.700 64.585 -2.885 19749 3017 1 6 . 1 1 44 44 VAL CB C 44 33.700 33.700 31.968 1.732 19749 3018 1 6 . 1 1 44 44 VAL H H 44 7.620 7.620 7.354 0.266 19749 3019 1 6 . 1 1 45 45 ALA N N 45 130.900 130.900 120.908 9.992 19749 3020 1 6 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.367 -0.217 19749 3021 1 6 . 1 1 45 45 ALA C C 45 178.700 178.700 177.373 1.327 19749 3022 1 6 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.470 1.230 19749 3023 1 6 . 1 1 45 45 ALA CB C 45 18.100 18.100 19.260 -1.160 19749 3024 1 6 . 1 1 45 45 ALA H H 45 8.480 8.480 8.066 0.414 19749 3025 1 6 . 1 1 46 46 GLY N N 46 111.400 111.400 105.941 5.459 19749 3026 1 6 . 1 1 46 46 GLY C C 46 171.700 171.700 173.921 -2.221 19749 3027 1 6 . 1 1 46 46 GLY CA C 46 45.400 45.400 45.037 0.363 19749 3028 1 6 . 1 1 46 46 GLY H H 46 8.600 8.600 8.511 0.089 19749 3029 1 6 . 1 1 47 47 ALA N N 47 117.600 117.600 121.768 -4.168 19749 3030 1 6 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.385 0.495 19749 3031 1 6 . 1 1 47 47 ALA C C 47 177.200 177.200 176.081 1.119 19749 3032 1 6 . 1 1 47 47 ALA CA C 47 49.800 49.800 51.116 -1.316 19749 3033 1 6 . 1 1 47 47 ALA CB C 47 21.700 21.700 20.821 0.879 19749 3034 1 6 . 1 1 47 47 ALA H H 47 7.340 7.340 7.362 -0.022 19749 3035 1 6 . 1 1 48 48 PHE N N 48 117.100 117.100 118.951 -1.851 19749 3036 1 6 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.010 0.360 19749 3037 1 6 . 1 1 48 48 PHE C C 48 174.100 174.100 174.765 -0.665 19749 3038 1 6 . 1 1 48 48 PHE CA C 48 56.500 56.500 57.092 -0.592 19749 3039 1 6 . 1 1 48 48 PHE CB C 48 43.900 43.900 42.943 0.957 19749 3040 1 6 . 1 1 48 48 PHE H H 48 9.160 9.160 8.257 0.903 19749 3041 1 6 . 1 1 49 49 ALA N N 49 125.600 125.600 121.603 3.997 19749 3042 1 6 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.150 0.040 19749 3043 1 6 . 1 1 49 49 ALA C C 49 174.900 174.900 175.169 -0.269 19749 3044 1 6 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.225 0.975 19749 3045 1 6 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.518 -2.118 19749 3046 1 6 . 1 1 49 49 ALA H H 49 9.630 9.630 8.637 0.993 19749 3047 1 6 . 1 1 50 50 LEU N N 50 127.100 127.100 123.589 3.511 19749 3048 1 6 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.330 -0.260 19749 3049 1 6 . 1 1 50 50 LEU C C 50 174.500 174.500 175.246 -0.746 19749 3050 1 6 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.769 0.231 19749 3051 1 6 . 1 1 50 50 LEU CB C 50 43.900 43.900 44.917 -1.017 19749 3052 1 6 . 1 1 50 50 LEU H H 50 9.350 9.350 8.660 0.690 19749 3053 1 6 . 1 1 51 51 CYS N N 51 127.300 127.300 128.191 -0.891 19749 3054 1 6 . 1 1 51 51 CYS HA H 51 5.410 5.410 4.657 0.753 19749 3055 1 6 . 1 1 51 51 CYS C C 51 173.000 173.000 172.830 0.170 19749 3056 1 6 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.901 0.298 19749 3057 1 6 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.194 2.206 19749 3058 1 6 . 1 1 51 51 CYS H H 51 9.300 9.300 8.811 0.489 19749 3059 1 6 . 1 1 52 52 VAL N N 52 123.100 123.100 129.223 -6.123 19749 3060 1 6 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.774 0.386 19749 3061 1 6 . 1 1 52 52 VAL C C 52 173.800 173.800 173.905 -0.105 19749 3062 1 6 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.898 -0.998 19749 3063 1 6 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.649 1.651 19749 3064 1 6 . 1 1 52 52 VAL H H 52 9.460 9.460 8.402 1.058 19749 3065 1 6 . 1 1 53 53 LEU N N 53 130.700 130.700 128.368 2.332 19749 3066 1 6 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.302 -0.322 19749 3067 1 6 . 1 1 53 53 LEU C C 53 175.200 175.200 174.233 0.967 19749 3068 1 6 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.040 0.960 19749 3069 1 6 . 1 1 53 53 LEU CB C 53 45.300 45.300 45.881 -0.581 19749 3070 1 6 . 1 1 53 53 LEU H H 53 9.320 9.320 8.734 0.586 19749 3071 1 6 . 1 1 54 54 TYR N N 54 125.700 125.700 124.599 1.101 19749 3072 1 6 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.858 0.052 19749 3073 1 6 . 1 1 54 54 TYR C C 54 175.400 175.400 174.271 1.129 19749 3074 1 6 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.176 0.524 19749 3075 1 6 . 1 1 54 54 TYR CB C 54 41.700 41.700 41.028 0.672 19749 3076 1 6 . 1 1 54 54 TYR H H 54 9.260 9.260 8.831 0.429 19749 3077 1 6 . 1 1 55 55 GLN N N 55 129.900 129.900 127.849 2.051 19749 3078 1 6 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.776 -0.076 19749 3079 1 6 . 1 1 55 55 GLN C C 55 175.900 175.900 175.261 0.639 19749 3080 1 6 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.607 0.093 19749 3081 1 6 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.100 -0.500 19749 3082 1 6 . 1 1 55 55 GLN H H 55 9.750 9.750 8.861 0.889 19749 3083 1 6 . 1 1 56 56 LYS N N 56 107.600 107.600 112.928 -5.328 19749 3084 1 6 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.818 -0.378 19749 3085 1 6 . 1 1 56 56 LYS C C 56 174.800 174.800 175.077 -0.277 19749 3086 1 6 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.977 0.423 19749 3087 1 6 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.360 -1.560 19749 3088 1 6 . 1 1 56 56 LYS H H 56 8.920 8.920 8.621 0.299 19749 3089 1 6 . 1 1 57 57 HIS N N 57 118.200 118.200 118.349 -0.149 19749 3090 1 6 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.812 0.088 19749 3091 1 6 . 1 1 57 57 HIS C C 57 173.400 173.400 173.047 0.353 19749 3092 1 6 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.985 -0.685 19749 3093 1 6 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.468 0.432 19749 3094 1 6 . 1 1 57 57 HIS H H 57 7.980 7.980 7.643 0.337 19749 3095 1 6 . 1 1 58 58 VAL N N 58 124.500 124.500 129.110 -4.610 19749 3096 1 6 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.586 -0.246 19749 3097 1 6 . 1 1 58 58 VAL C C 58 175.700 175.700 174.774 0.926 19749 3098 1 6 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.431 1.669 19749 3099 1 6 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.148 -0.148 19749 3100 1 6 . 1 1 58 58 VAL H H 58 8.800 8.800 8.461 0.339 19749 3101 1 6 . 1 1 59 59 HIS N N 59 132.200 132.200 128.924 3.276 19749 3102 1 6 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.565 -0.045 19749 3103 1 6 . 1 1 59 59 HIS C C 59 174.100 174.100 173.538 0.562 19749 3104 1 6 . 1 1 59 59 HIS CA C 59 55.700 55.700 53.709 1.991 19749 3105 1 6 . 1 1 59 59 HIS CB C 59 32.200 32.200 31.866 0.334 19749 3106 1 6 . 1 1 59 59 HIS H H 59 9.830 9.830 8.619 1.211 19749 3107 1 6 . 1 1 60 60 THR N N 60 119.300 119.300 122.524 -3.224 19749 3108 1 6 . 1 1 60 60 THR HA H 60 5.280 5.280 4.708 0.572 19749 3109 1 6 . 1 1 60 60 THR C C 60 173.700 173.700 173.120 0.580 19749 3110 1 6 . 1 1 60 60 THR CA C 60 62.100 62.100 60.963 1.137 19749 3111 1 6 . 1 1 60 60 THR CB C 60 70.300 70.300 70.647 -0.347 19749 3112 1 6 . 1 1 60 60 THR H H 60 8.420 8.420 8.231 0.189 19749 3113 1 6 . 1 1 61 61 TYR N N 61 127.000 127.000 124.467 2.533 19749 3114 1 6 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.650 0.150 19749 3115 1 6 . 1 1 61 61 TYR C C 61 175.000 175.000 174.988 0.012 19749 3116 1 6 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.815 -0.315 19749 3117 1 6 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.152 1.748 19749 3118 1 6 . 1 1 61 61 TYR H H 61 9.810 9.810 8.849 0.961 19749 3119 1 6 . 1 1 62 62 ARG N N 62 124.200 124.200 125.704 -1.504 19749 3120 1 6 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.615 0.095 19749 3121 1 6 . 1 1 62 62 ARG C C 62 175.000 175.000 175.495 -0.495 19749 3122 1 6 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.762 1.138 19749 3123 1 6 . 1 1 62 62 ARG CB C 62 31.500 31.500 29.678 1.822 19749 3124 1 6 . 1 1 62 62 ARG H H 62 9.240 9.240 8.760 0.480 19749 3125 1 6 . 1 1 63 63 ILE N N 63 124.100 124.100 126.347 -2.247 19749 3126 1 6 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.060 0.700 19749 3127 1 6 . 1 1 63 63 ILE C C 63 174.900 174.900 174.996 -0.096 19749 3128 1 6 . 1 1 63 63 ILE CA C 63 60.500 60.500 61.741 -1.241 19749 3129 1 6 . 1 1 63 63 ILE CB C 63 39.600 39.600 38.174 1.426 19749 3130 1 6 . 1 1 63 63 ILE H H 63 8.810 8.810 8.085 0.725 19749 3131 1 6 . 1 1 64 64 LEU N N 64 126.200 126.200 130.462 -4.262 19749 3132 1 6 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.733 0.467 19749 3133 1 6 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.799 -0.199 19749 3134 1 6 . 1 1 64 64 LEU CB C 64 44.200 44.200 41.767 2.433 19749 3135 1 6 . 1 1 64 64 LEU H H 64 8.660 8.660 8.543 0.117 19749 3136 1 6 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.382 0.848 19749 3137 1 6 . 1 1 65 65 PRO C C 65 177.000 177.000 176.749 0.251 19749 3138 1 6 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.163 -1.663 19749 3139 1 6 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.166 0.134 19749 3140 1 6 . 1 1 66 66 ASP N N 66 124.500 124.500 116.688 7.812 19749 3141 1 6 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.362 0.538 19749 3142 1 6 . 1 1 66 66 ASP C C 66 177.200 177.200 175.297 1.903 19749 3143 1 6 . 1 1 66 66 ASP CA C 66 52.600 52.600 55.156 -2.555 19749 3144 1 6 . 1 1 66 66 ASP CB C 66 43.000 43.000 40.075 2.925 19749 3145 1 6 . 1 1 66 66 ASP H H 66 8.650 8.650 8.580 0.070 19749 3146 1 6 . 1 1 67 67 GLY N N 67 108.300 108.300 105.422 2.878 19749 3147 1 6 . 1 1 67 67 GLY C C 67 174.700 174.700 172.967 1.733 19749 3148 1 6 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.013 0.887 19749 3149 1 6 . 1 1 67 67 GLY H H 67 8.420 8.420 7.935 0.485 19749 3150 1 6 . 1 1 68 68 GLU N N 68 120.300 120.300 118.155 2.145 19749 3151 1 6 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.328 0.012 19749 3152 1 6 . 1 1 68 68 GLU C C 68 176.100 176.100 176.628 -0.528 19749 3153 1 6 . 1 1 68 68 GLU CA C 68 56.800 56.800 56.302 0.498 19749 3154 1 6 . 1 1 68 68 GLU CB C 68 30.300 30.300 30.263 0.037 19749 3155 1 6 . 1 1 68 68 GLU H H 68 8.580 8.580 8.511 0.069 19749 3156 1 6 . 1 1 69 69 ASP N N 69 115.000 115.000 121.317 -6.317 19749 3157 1 6 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.237 0.283 19749 3158 1 6 . 1 1 69 69 ASP C C 69 175.500 175.500 175.586 -0.086 19749 3159 1 6 . 1 1 69 69 ASP CA C 69 55.900 55.900 55.505 0.395 19749 3160 1 6 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.247 -0.647 19749 3161 1 6 . 1 1 69 69 ASP H H 69 8.360 8.360 8.425 -0.065 19749 3162 1 6 . 1 1 70 70 PHE N N 70 117.200 117.200 115.540 1.660 19749 3163 1 6 . 1 1 70 70 PHE HA H 70 4.990 4.990 4.797 0.193 19749 3164 1 6 . 1 1 70 70 PHE C C 70 175.700 175.700 175.271 0.429 19749 3165 1 6 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.704 0.896 19749 3166 1 6 . 1 1 70 70 PHE CB C 70 41.700 41.700 43.085 -1.385 19749 3167 1 6 . 1 1 70 70 PHE H H 70 8.120 8.120 7.812 0.308 19749 3168 1 6 . 1 1 71 71 LEU N N 71 120.900 120.900 119.209 1.691 19749 3169 1 6 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.033 -0.083 19749 3170 1 6 . 1 1 71 71 LEU C C 71 175.900 175.900 175.754 0.146 19749 3171 1 6 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.880 0.020 19749 3172 1 6 . 1 1 71 71 LEU CB C 71 45.700 45.700 43.706 1.994 19749 3173 1 6 . 1 1 71 71 LEU H H 71 9.330 9.330 9.100 0.230 19749 3174 1 6 . 1 1 72 72 ALA N N 72 121.500 121.500 126.657 -5.157 19749 3175 1 6 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.563 0.647 19749 3176 1 6 . 1 1 72 72 ALA C C 72 176.900 176.900 176.956 -0.056 19749 3177 1 6 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.922 0.578 19749 3178 1 6 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.264 2.736 19749 3179 1 6 . 1 1 72 72 ALA H H 72 8.670 8.670 8.466 0.204 19749 3180 1 6 . 1 1 73 73 VAL N N 73 122.700 122.700 123.229 -0.529 19749 3181 1 6 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.259 0.321 19749 3182 1 6 . 1 1 73 73 VAL C C 73 175.100 175.100 175.603 -0.503 19749 3183 1 6 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.459 0.341 19749 3184 1 6 . 1 1 73 73 VAL CB C 73 33.800 33.800 32.158 1.642 19749 3185 1 6 . 1 1 73 73 VAL H H 73 9.310 9.310 8.330 0.980 19749 3186 1 6 . 1 1 74 74 GLN N N 74 128.600 128.600 127.816 0.784 19749 3187 1 6 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.561 0.149 19749 3188 1 6 . 1 1 74 74 GLN C C 74 175.900 175.900 176.385 -0.485 19749 3189 1 6 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.961 0.139 19749 3190 1 6 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.117 2.583 19749 3191 1 6 . 1 1 74 74 GLN H H 74 9.090 9.090 8.891 0.199 19749 3192 1 6 . 1 1 75 75 THR N N 75 117.700 117.700 113.051 4.649 19749 3193 1 6 . 1 1 75 75 THR HA H 75 4.490 4.490 3.816 0.674 19749 3194 1 6 . 1 1 75 75 THR C C 75 174.700 174.700 174.470 0.230 19749 3195 1 6 . 1 1 75 75 THR CA C 75 62.200 62.200 63.833 -1.633 19749 3196 1 6 . 1 1 75 75 THR CB C 75 69.800 69.800 69.102 0.698 19749 3197 1 6 . 1 1 75 75 THR H H 75 8.510 8.510 8.009 0.501 19749 3198 1 6 . 1 1 76 76 SER N N 76 115.300 115.300 112.404 2.896 19749 3199 1 6 . 1 1 76 76 SER HA H 76 4.540 4.540 4.696 -0.156 19749 3200 1 6 . 1 1 76 76 SER C C 76 174.200 174.200 174.836 -0.636 19749 3201 1 6 . 1 1 76 76 SER CA C 76 58.600 58.600 56.989 1.611 19749 3202 1 6 . 1 1 76 76 SER CB C 76 64.200 64.200 65.204 -1.004 19749 3203 1 6 . 1 1 76 76 SER H H 76 8.250 8.250 7.426 0.824 19749 3204 1 6 . 1 1 77 77 GLN N N 77 120.500 120.500 120.712 -0.212 19749 3205 1 6 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.214 0.006 19749 3206 1 6 . 1 1 77 77 GLN C C 77 176.900 176.900 176.341 0.559 19749 3207 1 6 . 1 1 77 77 GLN CA C 77 57.300 57.300 58.085 -0.785 19749 3208 1 6 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.825 0.075 19749 3209 1 6 . 1 1 77 77 GLN H H 77 8.510 8.510 8.646 -0.136 19749 3210 1 6 . 1 1 78 78 GLY N N 78 110.300 110.300 106.547 3.753 19749 3211 1 6 . 1 1 78 78 GLY C C 78 173.800 173.800 173.775 0.025 19749 3212 1 6 . 1 1 78 78 GLY CA C 78 45.500 45.500 44.627 0.873 19749 3213 1 6 . 1 1 78 78 GLY H H 78 8.610 8.610 8.458 0.152 19749 3214 1 6 . 1 1 79 79 VAL N N 79 119.500 119.500 117.204 2.296 19749 3215 1 6 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.454 0.096 19749 3216 1 6 . 1 1 79 79 VAL CA C 79 59.500 59.500 59.651 -0.151 19749 3217 1 6 . 1 1 79 79 VAL CB C 79 32.800 32.800 31.841 0.959 19749 3218 1 6 . 1 1 79 79 VAL H H 79 7.400 7.400 7.627 -0.227 19749 3219 1 6 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.454 -0.034 19749 3220 1 6 . 1 1 80 80 PRO C C 80 176.900 176.900 176.214 0.686 19749 3221 1 6 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.773 0.527 19749 3222 1 6 . 1 1 80 80 PRO CB C 80 32.300 32.300 29.221 3.079 19749 3223 1 6 . 1 1 81 81 VAL N N 81 121.600 121.600 119.808 1.792 19749 3224 1 6 . 1 1 81 81 VAL HA H 81 4.040 4.040 3.861 0.179 19749 3225 1 6 . 1 1 81 81 VAL C C 81 175.800 175.800 176.031 -0.231 19749 3226 1 6 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.814 0.186 19749 3227 1 6 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.759 0.041 19749 3228 1 6 . 1 1 81 81 VAL H H 81 8.390 8.390 7.681 0.709 19749 3229 1 6 . 1 1 82 82 ARG N N 82 125.400 125.400 122.445 2.955 19749 3230 1 6 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.392 0.058 19749 3231 1 6 . 1 1 82 82 ARG C C 82 173.900 173.900 174.689 -0.789 19749 3232 1 6 . 1 1 82 82 ARG CA C 82 55.000 55.000 53.804 1.196 19749 3233 1 6 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.318 0.982 19749 3234 1 6 . 1 1 82 82 ARG H H 82 8.170 8.170 8.477 -0.307 19749 3235 1 6 . 1 1 83 83 ARG N N 83 121.200 121.200 121.815 -0.615 19749 3236 1 6 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.149 1.181 19749 3237 1 6 . 1 1 83 83 ARG C C 83 175.600 175.600 175.036 0.564 19749 3238 1 6 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.620 -1.120 19749 3239 1 6 . 1 1 83 83 ARG CB C 83 33.500 33.500 30.495 3.005 19749 3240 1 6 . 1 1 83 83 ARG H H 83 8.060 8.060 8.168 -0.108 19749 3241 1 6 . 1 1 84 84 PHE N N 84 118.600 118.600 122.388 -3.788 19749 3242 1 6 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.863 0.087 19749 3243 1 6 . 1 1 84 84 PHE C C 84 175.200 175.200 176.141 -0.941 19749 3244 1 6 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.508 0.592 19749 3245 1 6 . 1 1 84 84 PHE CB C 84 44.500 44.500 41.884 2.616 19749 3246 1 6 . 1 1 84 84 PHE H H 84 9.320 9.320 8.114 1.206 19749 3247 1 6 . 1 1 85 85 GLN N N 85 120.800 120.800 119.237 1.563 19749 3248 1 6 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.548 -0.498 19749 3249 1 6 . 1 1 85 85 GLN C C 85 176.000 176.000 174.524 1.476 19749 3250 1 6 . 1 1 85 85 GLN CA C 85 58.400 58.400 55.705 2.695 19749 3251 1 6 . 1 1 85 85 GLN CB C 85 30.300 30.300 31.147 -0.847 19749 3252 1 6 . 1 1 85 85 GLN H H 85 9.660 9.660 8.973 0.687 19749 3253 1 6 . 1 1 86 86 THR N N 86 103.000 103.000 114.775 -11.775 19749 3254 1 6 . 1 1 86 86 THR HA H 86 4.810 4.810 4.523 0.287 19749 3255 1 6 . 1 1 86 86 THR C C 86 174.500 174.500 174.614 -0.114 19749 3256 1 6 . 1 1 86 86 THR CA C 86 58.700 58.700 60.700 -2.000 19749 3257 1 6 . 1 1 86 86 THR CB C 86 73.400 73.400 71.045 2.355 19749 3258 1 6 . 1 1 86 86 THR H H 86 7.260 7.260 7.844 -0.584 19749 3259 1 6 . 1 1 87 87 LEU N N 87 122.200 122.200 125.882 -3.682 19749 3260 1 6 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.962 -0.132 19749 3261 1 6 . 1 1 87 87 LEU C C 87 178.600 178.600 178.375 0.225 19749 3262 1 6 . 1 1 87 87 LEU CA C 87 57.100 57.100 56.863 0.237 19749 3263 1 6 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.389 1.011 19749 3264 1 6 . 1 1 87 87 LEU H H 87 9.150 9.150 8.749 0.401 19749 3265 1 6 . 1 1 88 88 GLY N N 88 105.200 105.200 107.286 -2.086 19749 3266 1 6 . 1 1 88 88 GLY C C 88 176.900 176.900 176.320 0.580 19749 3267 1 6 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.275 0.125 19749 3268 1 6 . 1 1 88 88 GLY H H 88 8.870 8.870 8.532 0.338 19749 3269 1 6 . 1 1 89 89 GLU N N 89 122.000 122.000 121.419 0.581 19749 3270 1 6 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.049 -0.119 19749 3271 1 6 . 1 1 89 89 GLU C C 89 177.600 177.600 178.532 -0.932 19749 3272 1 6 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.542 0.358 19749 3273 1 6 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.036 1.964 19749 3274 1 6 . 1 1 89 89 GLU H H 89 7.670 7.670 7.716 -0.046 19749 3275 1 6 . 1 1 90 90 LEU N N 90 122.300 122.300 121.030 1.270 19749 3276 1 6 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.471 -0.041 19749 3277 1 6 . 1 1 90 90 LEU C C 90 177.200 177.200 178.247 -1.047 19749 3278 1 6 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.243 1.457 19749 3279 1 6 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.624 0.475 19749 3280 1 6 . 1 1 90 90 LEU H H 90 6.880 6.880 6.906 -0.026 19749 3281 1 6 . 1 1 91 91 ILE N N 91 118.800 118.800 117.270 1.530 19749 3282 1 6 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.517 -0.407 19749 3283 1 6 . 1 1 91 91 ILE C C 91 177.700 177.700 178.387 -0.687 19749 3284 1 6 . 1 1 91 91 ILE CA C 91 61.400 61.400 63.506 -2.106 19749 3285 1 6 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.229 -0.829 19749 3286 1 6 . 1 1 91 91 ILE H H 91 7.880 7.880 8.036 -0.156 19749 3287 1 6 . 1 1 92 92 GLY N N 92 103.900 103.900 108.044 -4.144 19749 3288 1 6 . 1 1 92 92 GLY C C 92 176.400 176.400 175.677 0.723 19749 3289 1 6 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.897 -0.097 19749 3290 1 6 . 1 1 92 92 GLY H H 92 7.570 7.570 7.712 -0.142 19749 3291 1 6 . 1 1 93 93 LEU N N 93 123.200 123.200 122.414 0.786 19749 3292 1 6 . 1 1 93 93 LEU HA H 93 4.080 4.080 3.967 0.113 19749 3293 1 6 . 1 1 93 93 LEU C C 93 179.100 179.100 178.681 0.419 19749 3294 1 6 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.371 0.029 19749 3295 1 6 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.443 -1.643 19749 3296 1 6 . 1 1 93 93 LEU H H 93 7.360 7.360 7.370 -0.010 19749 3297 1 6 . 1 1 94 94 TYR N N 94 114.000 114.000 116.732 -2.732 19749 3298 1 6 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.360 -0.130 19749 3299 1 6 . 1 1 94 94 TYR C C 94 175.600 175.600 178.004 -2.404 19749 3300 1 6 . 1 1 94 94 TYR CA C 94 60.200 60.200 57.398 2.802 19749 3301 1 6 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.318 0.282 19749 3302 1 6 . 1 1 94 94 TYR H H 94 7.380 7.380 8.097 -0.717 19749 3303 1 6 . 1 1 95 95 ALA N N 95 123.100 123.100 120.512 2.588 19749 3304 1 6 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.150 0.210 19749 3305 1 6 . 1 1 95 95 ALA C C 95 177.300 177.300 177.135 0.165 19749 3306 1 6 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.339 0.561 19749 3307 1 6 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.697 0.303 19749 3308 1 6 . 1 1 95 95 ALA H H 95 7.330 7.330 7.533 -0.203 19749 3309 1 6 . 1 1 96 96 GLN N N 96 116.500 116.500 118.884 -2.384 19749 3310 1 6 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.720 -0.180 19749 3311 1 6 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.940 0.060 19749 3312 1 6 . 1 1 96 96 GLN CB C 96 28.600 28.600 29.126 -0.526 19749 3313 1 6 . 1 1 96 96 GLN H H 96 7.620 7.620 7.548 0.072 19749 3314 1 6 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.569 -0.329 19749 3315 1 6 . 1 1 97 97 PRO C C 97 176.800 176.800 177.322 -0.522 19749 3316 1 6 . 1 1 97 97 PRO CA C 97 62.800 62.800 61.321 1.479 19749 3317 1 6 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.946 -0.146 19749 3318 1 6 . 1 1 98 98 ASN N N 98 114.900 114.900 116.967 -2.067 19749 3319 1 6 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.355 0.125 19749 3320 1 6 . 1 1 98 98 ASN C C 98 175.100 175.100 174.539 0.561 19749 3321 1 6 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.550 0.750 19749 3322 1 6 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.756 -0.856 19749 3323 1 6 . 1 1 98 98 ASN H H 98 8.960 8.960 8.752 0.208 19749 3324 1 6 . 1 1 99 99 GLN N N 99 115.400 115.400 116.115 -0.715 19749 3325 1 6 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.372 0.128 19749 3326 1 6 . 1 1 99 99 GLN C C 99 176.100 176.100 175.114 0.986 19749 3327 1 6 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.908 -1.608 19749 3328 1 6 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.372 0.228 19749 3329 1 6 . 1 1 99 99 GLN H H 99 8.610 8.610 8.079 0.531 19749 3330 1 6 . 1 1 100 100 GLY N N 100 107.400 107.400 107.640 -0.240 19749 3331 1 6 . 1 1 100 100 GLY C C 100 174.600 174.600 173.488 1.112 19749 3332 1 6 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.143 0.257 19749 3333 1 6 . 1 1 100 100 GLY H H 100 8.460 8.460 7.983 0.477 19749 3334 1 6 . 1 1 101 101 LEU N N 101 118.400 118.400 124.407 -6.007 19749 3335 1 6 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.566 -0.186 19749 3336 1 6 . 1 1 101 101 LEU C C 101 178.000 178.000 178.924 -0.924 19749 3337 1 6 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.336 -1.436 19749 3338 1 6 . 1 1 101 101 LEU CB C 101 42.400 42.400 39.736 2.664 19749 3339 1 6 . 1 1 101 101 LEU H H 101 8.020 8.020 7.975 0.045 19749 3340 1 6 . 1 1 102 102 VAL N N 102 114.700 114.700 124.736 -10.036 19749 3341 1 6 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.751 -0.161 19749 3342 1 6 . 1 1 102 102 VAL C C 102 173.600 173.600 175.756 -2.156 19749 3343 1 6 . 1 1 102 102 VAL CA C 102 63.600 63.600 65.381 -1.781 19749 3344 1 6 . 1 1 102 102 VAL CB C 102 31.100 31.100 31.851 -0.751 19749 3345 1 6 . 1 1 102 102 VAL H H 102 7.260 7.260 8.556 -1.296 19749 3346 1 6 . 1 1 103 103 CYS N N 103 112.400 112.400 112.858 -0.458 19749 3347 1 6 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.271 -0.031 19749 3348 1 6 . 1 1 103 103 CYS C C 103 170.600 170.600 174.299 -3.699 19749 3349 1 6 . 1 1 103 103 CYS CA C 103 56.100 56.100 56.056 0.044 19749 3350 1 6 . 1 1 103 103 CYS CB C 103 29.600 29.600 28.430 1.170 19749 3351 1 6 . 1 1 103 103 CYS H H 103 6.920 6.920 7.561 -0.641 19749 3352 1 6 . 1 1 104 104 ALA N N 104 119.600 119.600 121.895 -2.295 19749 3353 1 6 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.965 0.245 19749 3354 1 6 . 1 1 104 104 ALA C C 104 176.300 176.300 176.478 -0.178 19749 3355 1 6 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.852 -1.252 19749 3356 1 6 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.208 1.192 19749 3357 1 6 . 1 1 104 104 ALA H H 104 7.840 7.840 7.283 0.557 19749 3358 1 6 . 1 1 105 105 LEU N N 105 117.100 117.100 120.463 -3.363 19749 3359 1 6 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.671 0.109 19749 3360 1 6 . 1 1 105 105 LEU C C 105 175.400 175.400 175.921 -0.521 19749 3361 1 6 . 1 1 105 105 LEU CA C 105 53.600 53.600 53.809 -0.209 19749 3362 1 6 . 1 1 105 105 LEU CB C 105 37.400 37.400 38.894 -1.494 19749 3363 1 6 . 1 1 105 105 LEU H H 105 7.610 7.610 7.964 -0.354 19749 3364 1 6 . 1 1 106 106 LEU N N 106 124.700 124.700 126.130 -1.430 19749 3365 1 6 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.626 -0.026 19749 3366 1 6 . 1 1 106 106 LEU C C 106 177.600 177.600 176.605 0.995 19749 3367 1 6 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.585 0.715 19749 3368 1 6 . 1 1 106 106 LEU CB C 106 46.000 46.000 44.059 1.942 19749 3369 1 6 . 1 1 106 106 LEU H H 106 8.160 8.160 7.920 0.240 19749 3370 1 6 . 1 1 107 107 LEU N N 107 121.400 121.400 120.628 0.772 19749 3371 1 6 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.947 0.163 19749 3372 1 6 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.668 -0.968 19749 3373 1 6 . 1 1 107 107 LEU CB C 107 44.600 44.600 42.261 2.339 19749 3374 1 6 . 1 1 107 107 LEU H H 107 7.930 7.930 7.836 0.094 19749 3375 1 6 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.818 -0.388 19749 3376 1 6 . 1 1 108 108 PRO C C 108 176.500 176.500 176.389 0.111 19749 3377 1 6 . 1 1 108 108 PRO CA C 108 62.400 62.400 63.540 -1.140 19749 3378 1 6 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.155 0.645 19749 3379 1 7 . 1 1 10 10 HIS C C 10 175.000 175.000 174.182 0.818 19749 3380 1 7 . 1 1 10 10 HIS CA C 10 55.900 55.900 54.132 1.768 19749 3381 1 7 . 1 1 10 10 HIS CB C 10 29.900 29.900 28.150 1.750 19749 3382 1 7 . 1 1 11 11 MET N N 11 120.400 120.400 124.722 -4.322 19749 3383 1 7 . 1 1 11 11 MET HA H 11 4.000 4.000 4.457 -0.457 19749 3384 1 7 . 1 1 11 11 MET C C 11 177.500 177.500 175.144 2.356 19749 3385 1 7 . 1 1 11 11 MET CA C 11 54.100 54.100 54.494 -0.394 19749 3386 1 7 . 1 1 11 11 MET CB C 11 31.500 31.500 32.905 -1.405 19749 3387 1 7 . 1 1 11 11 MET H H 11 7.800 7.800 7.818 -0.018 19749 3388 1 7 . 1 1 12 12 SER N N 12 118.600 118.600 121.911 -3.311 19749 3389 1 7 . 1 1 12 12 SER HA H 12 3.860 3.860 4.508 -0.648 19749 3390 1 7 . 1 1 12 12 SER C C 12 173.900 173.900 173.547 0.353 19749 3391 1 7 . 1 1 12 12 SER CA C 12 61.200 61.200 57.764 3.436 19749 3392 1 7 . 1 1 12 12 SER CB C 12 62.500 62.500 63.446 -0.946 19749 3393 1 7 . 1 1 12 12 SER H H 12 8.520 8.520 8.135 0.385 19749 3394 1 7 . 1 1 13 13 TRP N N 13 113.400 113.400 120.563 -7.163 19749 3395 1 7 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.407 0.483 19749 3396 1 7 . 1 1 13 13 TRP C C 13 176.000 176.000 175.900 0.100 19749 3397 1 7 . 1 1 13 13 TRP CA C 13 53.800 53.800 57.546 -3.746 19749 3398 1 7 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.478 0.622 19749 3399 1 7 . 1 1 13 13 TRP H H 13 6.180 6.180 7.578 -1.398 19749 3400 1 7 . 1 1 14 14 TYR N N 14 123.200 123.200 123.197 0.003 19749 3401 1 7 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.561 0.009 19749 3402 1 7 . 1 1 14 14 TYR C C 14 174.700 174.700 174.317 0.383 19749 3403 1 7 . 1 1 14 14 TYR CA C 14 56.000 56.000 57.822 -1.822 19749 3404 1 7 . 1 1 14 14 TYR CB C 14 37.900 37.900 39.276 -1.376 19749 3405 1 7 . 1 1 14 14 TYR H H 14 7.430 7.430 7.307 0.123 19749 3406 1 7 . 1 1 15 15 HIS N N 15 126.900 126.900 126.732 0.168 19749 3407 1 7 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.832 -0.282 19749 3408 1 7 . 1 1 15 15 HIS C C 15 173.300 173.300 175.006 -1.706 19749 3409 1 7 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.860 -1.760 19749 3410 1 7 . 1 1 15 15 HIS CB C 15 30.400 30.400 33.740 -3.340 19749 3411 1 7 . 1 1 15 15 HIS H H 15 8.680 8.680 8.412 0.268 19749 3412 1 7 . 1 1 16 16 ARG N N 16 122.500 122.500 121.295 1.205 19749 3413 1 7 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.981 -0.031 19749 3414 1 7 . 1 1 16 16 ARG C C 16 176.100 176.100 175.977 0.123 19749 3415 1 7 . 1 1 16 16 ARG CA C 16 57.300 57.300 59.706 -2.406 19749 3416 1 7 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.631 -0.531 19749 3417 1 7 . 1 1 16 16 ARG H H 16 7.740 7.740 8.578 -0.838 19749 3418 1 7 . 1 1 17 17 ASP N N 17 119.100 119.100 116.156 2.944 19749 3419 1 7 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.723 -0.203 19749 3420 1 7 . 1 1 17 17 ASP C C 17 174.900 174.900 174.918 -0.018 19749 3421 1 7 . 1 1 17 17 ASP CA C 17 54.800 54.800 53.916 0.884 19749 3422 1 7 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.355 -0.455 19749 3423 1 7 . 1 1 17 17 ASP H H 17 8.900 8.900 7.941 0.959 19749 3424 1 7 . 1 1 18 18 LEU N N 18 121.000 121.000 123.831 -2.831 19749 3425 1 7 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.609 -0.099 19749 3426 1 7 . 1 1 18 18 LEU C C 18 176.300 176.300 176.279 0.021 19749 3427 1 7 . 1 1 18 18 LEU CA C 18 54.500 54.500 53.818 0.682 19749 3428 1 7 . 1 1 18 18 LEU CB C 18 44.800 44.800 43.689 1.111 19749 3429 1 7 . 1 1 18 18 LEU H H 18 7.280 7.280 7.814 -0.534 19749 3430 1 7 . 1 1 19 19 SER N N 19 123.400 123.400 119.798 3.602 19749 3431 1 7 . 1 1 19 19 SER HA H 19 4.440 4.440 4.451 -0.011 19749 3432 1 7 . 1 1 19 19 SER C C 19 173.900 173.900 175.832 -1.932 19749 3433 1 7 . 1 1 19 19 SER CA C 19 57.700 57.700 57.895 -0.195 19749 3434 1 7 . 1 1 19 19 SER CB C 19 65.200 65.200 64.154 1.046 19749 3435 1 7 . 1 1 19 19 SER H H 19 8.650 8.650 8.311 0.339 19749 3436 1 7 . 1 1 20 20 ARG N N 20 121.700 121.700 126.232 -4.532 19749 3437 1 7 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.034 -0.324 19749 3438 1 7 . 1 1 20 20 ARG C C 20 178.200 178.200 178.084 0.116 19749 3439 1 7 . 1 1 20 20 ARG CA C 20 60.600 60.600 60.065 0.535 19749 3440 1 7 . 1 1 20 20 ARG CB C 20 30.100 30.100 29.608 0.492 19749 3441 1 7 . 1 1 20 20 ARG H H 20 8.970 8.970 8.882 0.088 19749 3442 1 7 . 1 1 21 21 ALA N N 21 119.900 119.900 122.032 -2.132 19749 3443 1 7 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.319 -0.279 19749 3444 1 7 . 1 1 21 21 ALA C C 21 180.600 180.600 179.099 1.501 19749 3445 1 7 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.010 0.190 19749 3446 1 7 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.352 -0.052 19749 3447 1 7 . 1 1 21 21 ALA H H 21 8.670 8.670 8.136 0.534 19749 3448 1 7 . 1 1 22 22 ALA N N 22 121.000 121.000 120.836 0.164 19749 3449 1 7 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.360 -0.230 19749 3450 1 7 . 1 1 22 22 ALA C C 22 180.900 180.900 179.560 1.340 19749 3451 1 7 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.388 0.312 19749 3452 1 7 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.404 0.596 19749 3453 1 7 . 1 1 22 22 ALA H H 22 7.890 7.890 8.055 -0.165 19749 3454 1 7 . 1 1 23 23 ALA N N 23 121.700 121.700 121.700 0.000 19749 3455 1 7 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.998 -0.118 19749 3456 1 7 . 1 1 23 23 ALA C C 23 178.700 178.700 179.762 -1.062 19749 3457 1 7 . 1 1 23 23 ALA CA C 23 55.100 55.100 54.984 0.116 19749 3458 1 7 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.225 0.975 19749 3459 1 7 . 1 1 23 23 ALA H H 23 8.570 8.570 8.110 0.460 19749 3460 1 7 . 1 1 24 24 GLU N N 24 116.500 116.500 119.262 -2.762 19749 3461 1 7 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.954 -0.194 19749 3462 1 7 . 1 1 24 24 GLU C C 24 178.900 178.900 179.478 -0.578 19749 3463 1 7 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.564 0.936 19749 3464 1 7 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.567 -1.067 19749 3465 1 7 . 1 1 24 24 GLU H H 24 8.200 8.200 8.099 0.101 19749 3466 1 7 . 1 1 25 25 GLU N N 25 120.000 120.000 119.477 0.523 19749 3467 1 7 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.045 0.015 19749 3468 1 7 . 1 1 25 25 GLU C C 25 178.400 178.400 179.149 -0.749 19749 3469 1 7 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.822 0.578 19749 3470 1 7 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.529 -0.029 19749 3471 1 7 . 1 1 25 25 GLU H H 25 7.690 7.690 7.630 0.060 19749 3472 1 7 . 1 1 26 26 LEU N N 26 120.200 120.200 121.229 -1.029 19749 3473 1 7 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.032 -0.122 19749 3474 1 7 . 1 1 26 26 LEU C C 26 180.200 180.200 178.662 1.538 19749 3475 1 7 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.816 0.384 19749 3476 1 7 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.480 0.920 19749 3477 1 7 . 1 1 26 26 LEU H H 26 7.840 7.840 7.958 -0.118 19749 3478 1 7 . 1 1 27 27 LEU N N 27 117.800 117.800 118.744 -0.944 19749 3479 1 7 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.883 0.097 19749 3480 1 7 . 1 1 27 27 LEU C C 27 177.800 177.800 178.837 -1.037 19749 3481 1 7 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.995 -0.395 19749 3482 1 7 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.191 0.709 19749 3483 1 7 . 1 1 27 27 LEU H H 27 7.960 7.960 8.339 -0.379 19749 3484 1 7 . 1 1 28 28 ALA N N 28 120.600 120.600 120.677 -0.077 19749 3485 1 7 . 1 1 28 28 ALA HA H 28 3.900 3.900 3.942 -0.042 19749 3486 1 7 . 1 1 28 28 ALA C C 28 180.900 180.900 178.626 2.274 19749 3487 1 7 . 1 1 28 28 ALA CA C 28 55.200 55.200 55.069 0.131 19749 3488 1 7 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.392 -0.492 19749 3489 1 7 . 1 1 28 28 ALA H H 28 8.160 8.160 7.698 0.462 19749 3490 1 7 . 1 1 29 29 ARG N N 29 116.200 116.200 117.014 -0.814 19749 3491 1 7 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.269 -0.309 19749 3492 1 7 . 1 1 29 29 ARG C C 29 178.000 178.000 177.735 0.265 19749 3493 1 7 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.123 0.477 19749 3494 1 7 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.702 -0.402 19749 3495 1 7 . 1 1 29 29 ARG H H 29 7.760 7.760 7.669 0.091 19749 3496 1 7 . 1 1 30 30 ALA N N 30 123.200 123.200 120.459 2.741 19749 3497 1 7 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.420 -0.220 19749 3498 1 7 . 1 1 30 30 ALA C C 30 182.000 182.000 178.700 3.300 19749 3499 1 7 . 1 1 30 30 ALA CA C 30 54.900 54.900 54.010 0.890 19749 3500 1 7 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.320 -0.620 19749 3501 1 7 . 1 1 30 30 ALA H H 30 7.580 7.580 8.081 -0.501 19749 3502 1 7 . 1 1 31 31 GLY N N 31 102.400 102.400 105.507 -3.107 19749 3503 1 7 . 1 1 31 31 GLY C C 31 174.800 174.800 175.112 -0.312 19749 3504 1 7 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.546 3.554 19749 3505 1 7 . 1 1 31 31 GLY H H 31 7.690 7.690 7.708 -0.018 19749 3506 1 7 . 1 1 32 32 ARG N N 32 121.100 121.100 119.121 1.979 19749 3507 1 7 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.118 0.342 19749 3508 1 7 . 1 1 32 32 ARG C C 32 176.500 176.500 173.980 2.520 19749 3509 1 7 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.686 -2.286 19749 3510 1 7 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.747 2.853 19749 3511 1 7 . 1 1 32 32 ARG H H 32 7.040 7.040 8.452 -1.412 19749 3512 1 7 . 1 1 33 33 ASP N N 33 126.100 126.100 116.823 9.277 19749 3513 1 7 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.658 0.112 19749 3514 1 7 . 1 1 33 33 ASP C C 33 176.800 176.800 175.645 1.155 19749 3515 1 7 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.843 1.157 19749 3516 1 7 . 1 1 33 33 ASP CB C 33 41.000 41.000 42.713 -1.713 19749 3517 1 7 . 1 1 33 33 ASP H H 33 9.110 9.110 7.524 1.586 19749 3518 1 7 . 1 1 34 34 GLY N N 34 109.400 109.400 113.123 -3.723 19749 3519 1 7 . 1 1 34 34 GLY C C 34 175.800 175.800 174.717 1.083 19749 3520 1 7 . 1 1 34 34 GLY CA C 34 46.000 46.000 46.071 -0.071 19749 3521 1 7 . 1 1 34 34 GLY H H 34 9.440 9.440 8.292 1.148 19749 3522 1 7 . 1 1 35 35 SER N N 35 120.400 120.400 115.767 4.633 19749 3523 1 7 . 1 1 35 35 SER HA H 35 5.990 5.990 5.225 0.765 19749 3524 1 7 . 1 1 35 35 SER C C 35 173.400 173.400 173.767 -0.367 19749 3525 1 7 . 1 1 35 35 SER CA C 35 59.800 59.800 57.698 2.102 19749 3526 1 7 . 1 1 35 35 SER CB C 35 63.700 63.700 64.098 -0.398 19749 3527 1 7 . 1 1 35 35 SER H H 35 8.050 8.050 7.534 0.516 19749 3528 1 7 . 1 1 36 36 PHE N N 36 122.000 122.000 118.770 3.230 19749 3529 1 7 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.992 0.048 19749 3530 1 7 . 1 1 36 36 PHE C C 36 170.900 170.900 173.275 -2.375 19749 3531 1 7 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.691 0.609 19749 3532 1 7 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.293 1.107 19749 3533 1 7 . 1 1 36 36 PHE H H 36 8.730 8.730 8.957 -0.227 19749 3534 1 7 . 1 1 37 37 LEU N N 37 112.500 112.500 114.946 -2.446 19749 3535 1 7 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.032 0.018 19749 3536 1 7 . 1 1 37 37 LEU C C 37 175.100 175.100 174.683 0.417 19749 3537 1 7 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.420 0.080 19749 3538 1 7 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.212 -0.011 19749 3539 1 7 . 1 1 37 37 LEU H H 37 9.000 9.000 8.776 0.224 19749 3540 1 7 . 1 1 38 38 VAL N N 38 120.200 120.200 119.229 0.971 19749 3541 1 7 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.477 0.003 19749 3542 1 7 . 1 1 38 38 VAL C C 38 173.600 173.600 175.325 -1.725 19749 3543 1 7 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.965 0.235 19749 3544 1 7 . 1 1 38 38 VAL CB C 38 35.200 35.200 35.629 -0.429 19749 3545 1 7 . 1 1 38 38 VAL H H 38 9.830 9.830 8.888 0.942 19749 3546 1 7 . 1 1 39 39 ARG N N 39 124.000 124.000 124.464 -0.464 19749 3547 1 7 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.468 0.052 19749 3548 1 7 . 1 1 39 39 ARG C C 39 174.700 174.700 174.997 -0.297 19749 3549 1 7 . 1 1 39 39 ARG CA C 39 52.800 52.800 52.317 0.483 19749 3550 1 7 . 1 1 39 39 ARG CB C 39 34.200 34.200 32.876 1.325 19749 3551 1 7 . 1 1 39 39 ARG H H 39 9.240 9.240 9.081 0.159 19749 3552 1 7 . 1 1 40 40 ASP N N 40 122.800 122.800 119.280 3.520 19749 3553 1 7 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.237 -0.287 19749 3554 1 7 . 1 1 40 40 ASP C C 40 176.500 176.500 176.669 -0.169 19749 3555 1 7 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.363 2.537 19749 3556 1 7 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.470 -1.570 19749 3557 1 7 . 1 1 40 40 ASP H H 40 9.060 9.060 8.054 1.006 19749 3558 1 7 . 1 1 41 41 SER N N 41 113.600 113.600 120.541 -6.941 19749 3559 1 7 . 1 1 41 41 SER HA H 41 4.200 4.200 4.416 -0.216 19749 3560 1 7 . 1 1 41 41 SER C C 41 175.700 175.700 174.634 1.066 19749 3561 1 7 . 1 1 41 41 SER CA C 41 58.400 58.400 59.233 -0.832 19749 3562 1 7 . 1 1 41 41 SER CB C 41 63.900 63.900 63.923 -0.023 19749 3563 1 7 . 1 1 41 41 SER H H 41 7.870 7.870 8.452 -0.582 19749 3564 1 7 . 1 1 42 42 GLU N N 42 127.200 127.200 121.315 5.885 19749 3565 1 7 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.381 0.009 19749 3566 1 7 . 1 1 42 42 GLU C C 42 176.500 176.500 176.883 -0.383 19749 3567 1 7 . 1 1 42 42 GLU CA C 42 57.700 57.700 57.724 -0.024 19749 3568 1 7 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.436 0.064 19749 3569 1 7 . 1 1 42 42 GLU H H 42 9.600 9.600 8.596 1.004 19749 3570 1 7 . 1 1 43 43 SER N N 43 113.400 113.400 115.841 -2.441 19749 3571 1 7 . 1 1 43 43 SER HA H 43 4.590 4.590 4.328 0.262 19749 3572 1 7 . 1 1 43 43 SER C C 43 174.000 174.000 175.012 -1.012 19749 3573 1 7 . 1 1 43 43 SER CA C 43 59.400 59.400 59.401 -0.001 19749 3574 1 7 . 1 1 43 43 SER CB C 43 65.100 65.100 63.671 1.429 19749 3575 1 7 . 1 1 43 43 SER H H 43 8.110 8.110 8.129 -0.019 19749 3576 1 7 . 1 1 44 44 VAL N N 44 123.200 123.200 124.293 -1.093 19749 3577 1 7 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.159 -0.019 19749 3578 1 7 . 1 1 44 44 VAL C C 44 174.800 174.800 174.917 -0.117 19749 3579 1 7 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.812 -0.112 19749 3580 1 7 . 1 1 44 44 VAL CB C 44 33.700 33.700 31.924 1.776 19749 3581 1 7 . 1 1 44 44 VAL H H 44 7.620 7.620 8.060 -0.440 19749 3582 1 7 . 1 1 45 45 ALA N N 45 130.900 130.900 130.851 0.049 19749 3583 1 7 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.227 -0.077 19749 3584 1 7 . 1 1 45 45 ALA C C 45 178.700 178.700 177.984 0.716 19749 3585 1 7 . 1 1 45 45 ALA CA C 45 53.700 53.700 53.241 0.459 19749 3586 1 7 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.693 -0.593 19749 3587 1 7 . 1 1 45 45 ALA H H 45 8.480 8.480 8.626 -0.146 19749 3588 1 7 . 1 1 46 46 GLY N N 46 111.400 111.400 110.295 1.105 19749 3589 1 7 . 1 1 46 46 GLY C C 46 171.700 171.700 173.760 -2.060 19749 3590 1 7 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.588 0.812 19749 3591 1 7 . 1 1 46 46 GLY H H 46 8.600 8.600 8.503 0.097 19749 3592 1 7 . 1 1 47 47 ALA N N 47 117.600 117.600 122.623 -5.023 19749 3593 1 7 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.522 0.358 19749 3594 1 7 . 1 1 47 47 ALA C C 47 177.200 177.200 175.464 1.736 19749 3595 1 7 . 1 1 47 47 ALA CA C 47 49.800 49.800 51.010 -1.210 19749 3596 1 7 . 1 1 47 47 ALA CB C 47 21.700 21.700 20.638 1.062 19749 3597 1 7 . 1 1 47 47 ALA H H 47 7.340 7.340 7.323 0.017 19749 3598 1 7 . 1 1 48 48 PHE N N 48 117.100 117.100 119.616 -2.516 19749 3599 1 7 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.416 -0.046 19749 3600 1 7 . 1 1 48 48 PHE C C 48 174.100 174.100 174.597 -0.497 19749 3601 1 7 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.325 0.175 19749 3602 1 7 . 1 1 48 48 PHE CB C 48 43.900 43.900 41.940 1.960 19749 3603 1 7 . 1 1 48 48 PHE H H 48 9.160 9.160 8.419 0.741 19749 3604 1 7 . 1 1 49 49 ALA N N 49 125.600 125.600 125.464 0.136 19749 3605 1 7 . 1 1 49 49 ALA HA H 49 5.190 5.190 4.669 0.521 19749 3606 1 7 . 1 1 49 49 ALA C C 49 174.900 174.900 175.368 -0.468 19749 3607 1 7 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.927 0.273 19749 3608 1 7 . 1 1 49 49 ALA CB C 49 20.400 20.400 20.001 0.399 19749 3609 1 7 . 1 1 49 49 ALA H H 49 9.630 9.630 9.196 0.434 19749 3610 1 7 . 1 1 50 50 LEU N N 50 127.100 127.100 127.863 -0.763 19749 3611 1 7 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.520 -0.450 19749 3612 1 7 . 1 1 50 50 LEU C C 50 174.500 174.500 175.268 -0.768 19749 3613 1 7 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.830 0.170 19749 3614 1 7 . 1 1 50 50 LEU CB C 50 43.900 43.900 44.557 -0.657 19749 3615 1 7 . 1 1 50 50 LEU H H 50 9.350 9.350 8.360 0.990 19749 3616 1 7 . 1 1 51 51 CYS N N 51 127.300 127.300 128.234 -0.934 19749 3617 1 7 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.228 0.182 19749 3618 1 7 . 1 1 51 51 CYS C C 51 173.000 173.000 173.193 -0.193 19749 3619 1 7 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.791 0.409 19749 3620 1 7 . 1 1 51 51 CYS CB C 51 30.400 30.400 29.517 0.883 19749 3621 1 7 . 1 1 51 51 CYS H H 51 9.300 9.300 8.833 0.467 19749 3622 1 7 . 1 1 52 52 VAL N N 52 123.100 123.100 129.374 -6.274 19749 3623 1 7 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.133 0.027 19749 3624 1 7 . 1 1 52 52 VAL C C 52 173.800 173.800 174.433 -0.633 19749 3625 1 7 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.913 -1.013 19749 3626 1 7 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.453 1.847 19749 3627 1 7 . 1 1 52 52 VAL H H 52 9.460 9.460 9.215 0.245 19749 3628 1 7 . 1 1 53 53 LEU N N 53 130.700 130.700 129.710 0.990 19749 3629 1 7 . 1 1 53 53 LEU HA H 53 4.980 4.980 4.894 0.086 19749 3630 1 7 . 1 1 53 53 LEU C C 53 175.200 175.200 174.895 0.305 19749 3631 1 7 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.658 0.341 19749 3632 1 7 . 1 1 53 53 LEU CB C 53 45.300 45.300 43.689 1.611 19749 3633 1 7 . 1 1 53 53 LEU H H 53 9.320 9.320 8.879 0.441 19749 3634 1 7 . 1 1 54 54 TYR N N 54 125.700 125.700 125.914 -0.214 19749 3635 1 7 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.685 0.225 19749 3636 1 7 . 1 1 54 54 TYR C C 54 175.400 175.400 174.306 1.094 19749 3637 1 7 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.230 0.470 19749 3638 1 7 . 1 1 54 54 TYR CB C 54 41.700 41.700 41.325 0.376 19749 3639 1 7 . 1 1 54 54 TYR H H 54 9.260 9.260 8.769 0.491 19749 3640 1 7 . 1 1 55 55 GLN N N 55 129.900 129.900 129.363 0.537 19749 3641 1 7 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.744 -0.044 19749 3642 1 7 . 1 1 55 55 GLN C C 55 175.900 175.900 175.253 0.647 19749 3643 1 7 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.756 -0.056 19749 3644 1 7 . 1 1 55 55 GLN CB C 55 25.600 25.600 27.582 -1.982 19749 3645 1 7 . 1 1 55 55 GLN H H 55 9.750 9.750 8.880 0.870 19749 3646 1 7 . 1 1 56 56 LYS N N 56 107.600 107.600 117.730 -10.130 19749 3647 1 7 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.936 -0.496 19749 3648 1 7 . 1 1 56 56 LYS C C 56 174.800 174.800 174.788 0.012 19749 3649 1 7 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.286 1.114 19749 3650 1 7 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.688 -1.888 19749 3651 1 7 . 1 1 56 56 LYS H H 56 8.920 8.920 8.536 0.384 19749 3652 1 7 . 1 1 57 57 HIS N N 57 118.200 118.200 116.632 1.568 19749 3653 1 7 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.803 0.097 19749 3654 1 7 . 1 1 57 57 HIS C C 57 173.400 173.400 173.624 -0.224 19749 3655 1 7 . 1 1 57 57 HIS CA C 57 54.300 54.300 55.334 -1.034 19749 3656 1 7 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.807 0.093 19749 3657 1 7 . 1 1 57 57 HIS H H 57 7.980 7.980 7.497 0.483 19749 3658 1 7 . 1 1 58 58 VAL N N 58 124.500 124.500 128.698 -4.198 19749 3659 1 7 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.402 -0.062 19749 3660 1 7 . 1 1 58 58 VAL C C 58 175.700 175.700 174.690 1.010 19749 3661 1 7 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.855 1.245 19749 3662 1 7 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.194 -0.194 19749 3663 1 7 . 1 1 58 58 VAL H H 58 8.800 8.800 8.287 0.513 19749 3664 1 7 . 1 1 59 59 HIS N N 59 132.200 132.200 128.705 3.495 19749 3665 1 7 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.785 -0.265 19749 3666 1 7 . 1 1 59 59 HIS C C 59 174.100 174.100 173.881 0.219 19749 3667 1 7 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.411 1.289 19749 3668 1 7 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.892 -1.692 19749 3669 1 7 . 1 1 59 59 HIS H H 59 9.830 9.830 9.126 0.704 19749 3670 1 7 . 1 1 60 60 THR N N 60 119.300 119.300 117.457 1.843 19749 3671 1 7 . 1 1 60 60 THR HA H 60 5.280 5.280 5.079 0.201 19749 3672 1 7 . 1 1 60 60 THR C C 60 173.700 173.700 173.511 0.189 19749 3673 1 7 . 1 1 60 60 THR CA C 60 62.100 62.100 60.486 1.614 19749 3674 1 7 . 1 1 60 60 THR CB C 60 70.300 70.300 70.096 0.204 19749 3675 1 7 . 1 1 60 60 THR H H 60 8.420 8.420 8.130 0.290 19749 3676 1 7 . 1 1 61 61 TYR N N 61 127.000 127.000 124.261 2.739 19749 3677 1 7 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.849 -0.049 19749 3678 1 7 . 1 1 61 61 TYR C C 61 175.000 175.000 175.175 -0.175 19749 3679 1 7 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.777 -0.277 19749 3680 1 7 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.759 1.141 19749 3681 1 7 . 1 1 61 61 TYR H H 61 9.810 9.810 9.076 0.734 19749 3682 1 7 . 1 1 62 62 ARG N N 62 124.200 124.200 125.321 -1.121 19749 3683 1 7 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.645 0.065 19749 3684 1 7 . 1 1 62 62 ARG C C 62 175.000 175.000 175.552 -0.552 19749 3685 1 7 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.768 1.132 19749 3686 1 7 . 1 1 62 62 ARG CB C 62 31.500 31.500 30.053 1.447 19749 3687 1 7 . 1 1 62 62 ARG H H 62 9.240 9.240 8.649 0.591 19749 3688 1 7 . 1 1 63 63 ILE N N 63 124.100 124.100 125.846 -1.746 19749 3689 1 7 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.475 0.285 19749 3690 1 7 . 1 1 63 63 ILE C C 63 174.900 174.900 175.735 -0.835 19749 3691 1 7 . 1 1 63 63 ILE CA C 63 60.500 60.500 62.115 -1.615 19749 3692 1 7 . 1 1 63 63 ILE CB C 63 39.600 39.600 38.451 1.149 19749 3693 1 7 . 1 1 63 63 ILE H H 63 8.810 8.810 8.172 0.638 19749 3694 1 7 . 1 1 64 64 LEU N N 64 126.200 126.200 123.107 3.093 19749 3695 1 7 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.136 0.064 19749 3696 1 7 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.610 -0.010 19749 3697 1 7 . 1 1 64 64 LEU CB C 64 44.200 44.200 43.630 0.570 19749 3698 1 7 . 1 1 64 64 LEU H H 64 8.660 8.660 8.212 0.448 19749 3699 1 7 . 1 1 65 65 PRO HA H 65 5.230 5.230 5.135 0.095 19749 3700 1 7 . 1 1 65 65 PRO C C 65 177.000 177.000 177.586 -0.586 19749 3701 1 7 . 1 1 65 65 PRO CA C 65 62.500 62.500 62.430 0.070 19749 3702 1 7 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.467 -0.167 19749 3703 1 7 . 1 1 66 66 ASP N N 66 124.500 124.500 128.206 -3.706 19749 3704 1 7 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.470 0.430 19749 3705 1 7 . 1 1 66 66 ASP C C 66 177.200 177.200 177.311 -0.111 19749 3706 1 7 . 1 1 66 66 ASP CA C 66 52.600 52.600 57.127 -4.527 19749 3707 1 7 . 1 1 66 66 ASP CB C 66 43.000 43.000 40.885 2.115 19749 3708 1 7 . 1 1 66 66 ASP H H 66 8.650 8.650 8.736 -0.086 19749 3709 1 7 . 1 1 67 67 GLY N N 67 108.300 108.300 106.321 1.979 19749 3710 1 7 . 1 1 67 67 GLY C C 67 174.700 174.700 174.278 0.422 19749 3711 1 7 . 1 1 67 67 GLY CA C 67 45.900 45.900 44.746 1.154 19749 3712 1 7 . 1 1 67 67 GLY H H 67 8.420 8.420 8.726 -0.306 19749 3713 1 7 . 1 1 68 68 GLU N N 68 120.300 120.300 118.193 2.107 19749 3714 1 7 . 1 1 68 68 GLU HA H 68 4.340 4.340 3.856 0.484 19749 3715 1 7 . 1 1 68 68 GLU C C 68 176.100 176.100 175.990 0.110 19749 3716 1 7 . 1 1 68 68 GLU CA C 68 56.800 56.800 58.725 -1.925 19749 3717 1 7 . 1 1 68 68 GLU CB C 68 30.300 30.300 28.091 2.208 19749 3718 1 7 . 1 1 68 68 GLU H H 68 8.580 8.580 8.169 0.411 19749 3719 1 7 . 1 1 69 69 ASP N N 69 115.000 115.000 119.445 -4.445 19749 3720 1 7 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.484 0.036 19749 3721 1 7 . 1 1 69 69 ASP C C 69 175.500 175.500 175.949 -0.449 19749 3722 1 7 . 1 1 69 69 ASP CA C 69 55.900 55.900 55.826 0.074 19749 3723 1 7 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.583 -0.983 19749 3724 1 7 . 1 1 69 69 ASP H H 69 8.360 8.360 7.859 0.501 19749 3725 1 7 . 1 1 70 70 PHE N N 70 117.200 117.200 117.466 -0.266 19749 3726 1 7 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.106 -0.116 19749 3727 1 7 . 1 1 70 70 PHE C C 70 175.700 175.700 175.608 0.092 19749 3728 1 7 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.550 1.050 19749 3729 1 7 . 1 1 70 70 PHE CB C 70 41.700 41.700 40.556 1.144 19749 3730 1 7 . 1 1 70 70 PHE H H 70 8.120 8.120 7.700 0.420 19749 3731 1 7 . 1 1 71 71 LEU N N 71 120.900 120.900 119.828 1.072 19749 3732 1 7 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.201 -0.251 19749 3733 1 7 . 1 1 71 71 LEU C C 71 175.900 175.900 175.463 0.437 19749 3734 1 7 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.060 0.840 19749 3735 1 7 . 1 1 71 71 LEU CB C 71 45.700 45.700 44.228 1.472 19749 3736 1 7 . 1 1 71 71 LEU H H 71 9.330 9.330 8.640 0.690 19749 3737 1 7 . 1 1 72 72 ALA N N 72 121.500 121.500 121.860 -0.360 19749 3738 1 7 . 1 1 72 72 ALA HA H 72 5.210 5.210 5.019 0.191 19749 3739 1 7 . 1 1 72 72 ALA C C 72 176.900 176.900 175.602 1.298 19749 3740 1 7 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.903 0.597 19749 3741 1 7 . 1 1 72 72 ALA CB C 72 23.000 23.000 22.345 0.655 19749 3742 1 7 . 1 1 72 72 ALA H H 72 8.670 8.670 8.142 0.528 19749 3743 1 7 . 1 1 73 73 VAL N N 73 122.700 122.700 122.251 0.449 19749 3744 1 7 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.280 0.300 19749 3745 1 7 . 1 1 73 73 VAL C C 73 175.100 175.100 175.322 -0.222 19749 3746 1 7 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.167 0.633 19749 3747 1 7 . 1 1 73 73 VAL CB C 73 33.800 33.800 34.501 -0.701 19749 3748 1 7 . 1 1 73 73 VAL H H 73 9.310 9.310 8.225 1.085 19749 3749 1 7 . 1 1 74 74 GLN N N 74 128.600 128.600 127.867 0.733 19749 3750 1 7 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.616 0.094 19749 3751 1 7 . 1 1 74 74 GLN C C 74 175.900 175.900 176.046 -0.146 19749 3752 1 7 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.017 0.083 19749 3753 1 7 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.407 2.293 19749 3754 1 7 . 1 1 74 74 GLN H H 74 9.090 9.090 8.649 0.441 19749 3755 1 7 . 1 1 75 75 THR N N 75 117.700 117.700 114.332 3.368 19749 3756 1 7 . 1 1 75 75 THR HA H 75 4.490 4.490 4.267 0.223 19749 3757 1 7 . 1 1 75 75 THR C C 75 174.700 174.700 174.868 -0.168 19749 3758 1 7 . 1 1 75 75 THR CA C 75 62.200 62.200 63.411 -1.211 19749 3759 1 7 . 1 1 75 75 THR CB C 75 69.800 69.800 69.458 0.342 19749 3760 1 7 . 1 1 75 75 THR H H 75 8.510 8.510 8.336 0.174 19749 3761 1 7 . 1 1 76 76 SER N N 76 115.300 115.300 114.316 0.984 19749 3762 1 7 . 1 1 76 76 SER HA H 76 4.540 4.540 4.581 -0.041 19749 3763 1 7 . 1 1 76 76 SER C C 76 174.200 174.200 172.820 1.380 19749 3764 1 7 . 1 1 76 76 SER CA C 76 58.600 58.600 57.986 0.614 19749 3765 1 7 . 1 1 76 76 SER CB C 76 64.200 64.200 64.893 -0.693 19749 3766 1 7 . 1 1 76 76 SER H H 76 8.250 8.250 8.161 0.089 19749 3767 1 7 . 1 1 77 77 GLN N N 77 120.500 120.500 126.692 -6.192 19749 3768 1 7 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.259 -0.039 19749 3769 1 7 . 1 1 77 77 GLN C C 77 176.900 176.900 175.826 1.074 19749 3770 1 7 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.069 0.231 19749 3771 1 7 . 1 1 77 77 GLN CB C 77 28.900 28.900 27.879 1.021 19749 3772 1 7 . 1 1 77 77 GLN H H 77 8.510 8.510 8.745 -0.235 19749 3773 1 7 . 1 1 78 78 GLY N N 78 110.300 110.300 113.399 -3.099 19749 3774 1 7 . 1 1 78 78 GLY C C 78 173.800 173.800 173.375 0.425 19749 3775 1 7 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.094 0.406 19749 3776 1 7 . 1 1 78 78 GLY H H 78 8.610 8.610 8.417 0.193 19749 3777 1 7 . 1 1 79 79 VAL N N 79 119.500 119.500 118.255 1.245 19749 3778 1 7 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.718 -0.168 19749 3779 1 7 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.485 1.015 19749 3780 1 7 . 1 1 79 79 VAL CB C 79 32.800 32.800 33.187 -0.387 19749 3781 1 7 . 1 1 79 79 VAL H H 79 7.400 7.400 7.652 -0.252 19749 3782 1 7 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.401 0.019 19749 3783 1 7 . 1 1 80 80 PRO C C 80 176.900 176.900 176.392 0.508 19749 3784 1 7 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.158 0.142 19749 3785 1 7 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.849 0.451 19749 3786 1 7 . 1 1 81 81 VAL N N 81 121.600 121.600 123.673 -2.073 19749 3787 1 7 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.217 -0.177 19749 3788 1 7 . 1 1 81 81 VAL C C 81 175.800 175.800 176.421 -0.621 19749 3789 1 7 . 1 1 81 81 VAL CA C 81 63.000 63.000 61.866 1.134 19749 3790 1 7 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.748 0.052 19749 3791 1 7 . 1 1 81 81 VAL H H 81 8.390 8.390 8.280 0.110 19749 3792 1 7 . 1 1 82 82 ARG N N 82 125.400 125.400 128.081 -2.681 19749 3793 1 7 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.535 -0.085 19749 3794 1 7 . 1 1 82 82 ARG C C 82 173.900 173.900 174.217 -0.317 19749 3795 1 7 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.391 0.609 19749 3796 1 7 . 1 1 82 82 ARG CB C 82 32.300 32.300 32.539 -0.239 19749 3797 1 7 . 1 1 82 82 ARG H H 82 8.170 8.170 8.607 -0.437 19749 3798 1 7 . 1 1 83 83 ARG N N 83 121.200 121.200 122.926 -1.726 19749 3799 1 7 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.590 0.740 19749 3800 1 7 . 1 1 83 83 ARG C C 83 175.600 175.600 175.155 0.445 19749 3801 1 7 . 1 1 83 83 ARG CA C 83 54.500 54.500 54.845 -0.345 19749 3802 1 7 . 1 1 83 83 ARG CB C 83 33.500 33.500 32.098 1.402 19749 3803 1 7 . 1 1 83 83 ARG H H 83 8.060 8.060 8.187 -0.127 19749 3804 1 7 . 1 1 84 84 PHE N N 84 118.600 118.600 117.470 1.130 19749 3805 1 7 . 1 1 84 84 PHE HA H 84 4.950 4.950 5.324 -0.374 19749 3806 1 7 . 1 1 84 84 PHE C C 84 175.200 175.200 176.094 -0.894 19749 3807 1 7 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.400 0.700 19749 3808 1 7 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.260 2.240 19749 3809 1 7 . 1 1 84 84 PHE H H 84 9.320 9.320 8.767 0.553 19749 3810 1 7 . 1 1 85 85 GLN N N 85 120.800 120.800 118.804 1.996 19749 3811 1 7 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.528 -0.478 19749 3812 1 7 . 1 1 85 85 GLN C C 85 176.000 176.000 176.168 -0.168 19749 3813 1 7 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.432 1.968 19749 3814 1 7 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.964 0.336 19749 3815 1 7 . 1 1 85 85 GLN H H 85 9.660 9.660 8.973 0.687 19749 3816 1 7 . 1 1 86 86 THR N N 86 103.000 103.000 112.028 -9.028 19749 3817 1 7 . 1 1 86 86 THR HA H 86 4.810 4.810 4.568 0.242 19749 3818 1 7 . 1 1 86 86 THR C C 86 174.500 174.500 174.154 0.346 19749 3819 1 7 . 1 1 86 86 THR CA C 86 58.700 58.700 60.924 -2.224 19749 3820 1 7 . 1 1 86 86 THR CB C 86 73.400 73.400 71.568 1.832 19749 3821 1 7 . 1 1 86 86 THR H H 86 7.260 7.260 7.659 -0.399 19749 3822 1 7 . 1 1 87 87 LEU N N 87 122.200 122.200 123.511 -1.311 19749 3823 1 7 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.816 0.014 19749 3824 1 7 . 1 1 87 87 LEU C C 87 178.600 178.600 178.482 0.118 19749 3825 1 7 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.251 -0.151 19749 3826 1 7 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.375 1.025 19749 3827 1 7 . 1 1 87 87 LEU H H 87 9.150 9.150 8.448 0.702 19749 3828 1 7 . 1 1 88 88 GLY N N 88 105.200 105.200 106.018 -0.818 19749 3829 1 7 . 1 1 88 88 GLY C C 88 176.900 176.900 175.998 0.902 19749 3830 1 7 . 1 1 88 88 GLY CA C 88 47.400 47.400 46.966 0.434 19749 3831 1 7 . 1 1 88 88 GLY H H 88 8.870 8.870 8.450 0.420 19749 3832 1 7 . 1 1 89 89 GLU N N 89 122.000 122.000 121.870 0.130 19749 3833 1 7 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.119 -0.189 19749 3834 1 7 . 1 1 89 89 GLU C C 89 177.600 177.600 178.196 -0.596 19749 3835 1 7 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.464 0.436 19749 3836 1 7 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.625 1.375 19749 3837 1 7 . 1 1 89 89 GLU H H 89 7.670 7.670 7.520 0.150 19749 3838 1 7 . 1 1 90 90 LEU N N 90 122.300 122.300 120.750 1.550 19749 3839 1 7 . 1 1 90 90 LEU HA H 90 2.430 2.430 3.532 -1.102 19749 3840 1 7 . 1 1 90 90 LEU C C 90 177.200 177.200 178.580 -1.380 19749 3841 1 7 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.590 1.110 19749 3842 1 7 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.333 0.767 19749 3843 1 7 . 1 1 90 90 LEU H H 90 6.880 6.880 6.900 -0.020 19749 3844 1 7 . 1 1 91 91 ILE N N 91 118.800 118.800 117.471 1.329 19749 3845 1 7 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.403 -0.293 19749 3846 1 7 . 1 1 91 91 ILE C C 91 177.700 177.700 178.558 -0.858 19749 3847 1 7 . 1 1 91 91 ILE CA C 91 61.400 61.400 63.583 -2.183 19749 3848 1 7 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.085 -0.685 19749 3849 1 7 . 1 1 91 91 ILE H H 91 7.880 7.880 7.754 0.126 19749 3850 1 7 . 1 1 92 92 GLY N N 92 103.900 103.900 107.726 -3.826 19749 3851 1 7 . 1 1 92 92 GLY C C 92 176.400 176.400 176.168 0.232 19749 3852 1 7 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.877 -0.076 19749 3853 1 7 . 1 1 92 92 GLY H H 92 7.570 7.570 7.638 -0.068 19749 3854 1 7 . 1 1 93 93 LEU N N 93 123.200 123.200 122.494 0.706 19749 3855 1 7 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.133 -0.053 19749 3856 1 7 . 1 1 93 93 LEU C C 93 179.100 179.100 178.452 0.648 19749 3857 1 7 . 1 1 93 93 LEU CA C 93 57.400 57.400 56.963 0.437 19749 3858 1 7 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.590 -1.790 19749 3859 1 7 . 1 1 93 93 LEU H H 93 7.360 7.360 7.759 -0.399 19749 3860 1 7 . 1 1 94 94 TYR N N 94 114.000 114.000 116.288 -2.288 19749 3861 1 7 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.457 -0.227 19749 3862 1 7 . 1 1 94 94 TYR C C 94 175.600 175.600 176.455 -0.855 19749 3863 1 7 . 1 1 94 94 TYR CA C 94 60.200 60.200 58.477 1.723 19749 3864 1 7 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.972 -0.372 19749 3865 1 7 . 1 1 94 94 TYR H H 94 7.380 7.380 8.614 -1.234 19749 3866 1 7 . 1 1 95 95 ALA N N 95 123.100 123.100 120.594 2.506 19749 3867 1 7 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.065 0.295 19749 3868 1 7 . 1 1 95 95 ALA C C 95 177.300 177.300 177.209 0.091 19749 3869 1 7 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.662 1.238 19749 3870 1 7 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.522 0.478 19749 3871 1 7 . 1 1 95 95 ALA H H 95 7.330 7.330 7.304 0.025 19749 3872 1 7 . 1 1 96 96 GLN N N 96 116.500 116.500 118.726 -2.226 19749 3873 1 7 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.655 -0.115 19749 3874 1 7 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.334 0.666 19749 3875 1 7 . 1 1 96 96 GLN CB C 96 28.600 28.600 29.311 -0.712 19749 3876 1 7 . 1 1 96 96 GLN H H 96 7.620 7.620 7.249 0.371 19749 3877 1 7 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.333 -0.093 19749 3878 1 7 . 1 1 97 97 PRO C C 97 176.800 176.800 177.601 -0.801 19749 3879 1 7 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.237 0.563 19749 3880 1 7 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.546 0.254 19749 3881 1 7 . 1 1 98 98 ASN N N 98 114.900 114.900 115.673 -0.773 19749 3882 1 7 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.311 0.169 19749 3883 1 7 . 1 1 98 98 ASN C C 98 175.100 175.100 174.739 0.361 19749 3884 1 7 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.620 -0.320 19749 3885 1 7 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.709 -0.809 19749 3886 1 7 . 1 1 98 98 ASN H H 98 8.960 8.960 8.824 0.136 19749 3887 1 7 . 1 1 99 99 GLN N N 99 115.400 115.400 115.871 -0.471 19749 3888 1 7 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.425 0.075 19749 3889 1 7 . 1 1 99 99 GLN C C 99 176.100 176.100 175.111 0.989 19749 3890 1 7 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.055 -0.755 19749 3891 1 7 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.540 0.060 19749 3892 1 7 . 1 1 99 99 GLN H H 99 8.610 8.610 8.357 0.253 19749 3893 1 7 . 1 1 100 100 GLY N N 100 107.400 107.400 106.425 0.975 19749 3894 1 7 . 1 1 100 100 GLY C C 100 174.600 174.600 173.547 1.053 19749 3895 1 7 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.037 0.363 19749 3896 1 7 . 1 1 100 100 GLY H H 100 8.460 8.460 7.938 0.522 19749 3897 1 7 . 1 1 101 101 LEU N N 101 118.400 118.400 122.888 -4.488 19749 3898 1 7 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.265 0.115 19749 3899 1 7 . 1 1 101 101 LEU C C 101 178.000 178.000 179.385 -1.385 19749 3900 1 7 . 1 1 101 101 LEU CA C 101 52.900 52.900 53.678 -0.778 19749 3901 1 7 . 1 1 101 101 LEU CB C 101 42.400 42.400 41.673 0.727 19749 3902 1 7 . 1 1 101 101 LEU H H 101 8.020 8.020 7.670 0.350 19749 3903 1 7 . 1 1 102 102 VAL N N 102 114.700 114.700 124.520 -9.820 19749 3904 1 7 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.751 -0.161 19749 3905 1 7 . 1 1 102 102 VAL C C 102 173.600 173.600 175.708 -2.108 19749 3906 1 7 . 1 1 102 102 VAL CA C 102 63.600 63.600 65.587 -1.987 19749 3907 1 7 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.043 -0.943 19749 3908 1 7 . 1 1 102 102 VAL H H 102 7.260 7.260 8.829 -1.569 19749 3909 1 7 . 1 1 103 103 CYS N N 103 112.400 112.400 118.334 -5.934 19749 3910 1 7 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.304 -0.064 19749 3911 1 7 . 1 1 103 103 CYS C C 103 170.600 170.600 173.684 -3.084 19749 3912 1 7 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.935 -1.835 19749 3913 1 7 . 1 1 103 103 CYS CB C 103 29.600 29.600 25.473 4.127 19749 3914 1 7 . 1 1 103 103 CYS H H 103 6.920 6.920 7.865 -0.945 19749 3915 1 7 . 1 1 104 104 ALA N N 104 119.600 119.600 121.207 -1.607 19749 3916 1 7 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.836 0.374 19749 3917 1 7 . 1 1 104 104 ALA C C 104 176.300 176.300 175.914 0.386 19749 3918 1 7 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.956 -1.356 19749 3919 1 7 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.114 1.286 19749 3920 1 7 . 1 1 104 104 ALA H H 104 7.840 7.840 7.206 0.634 19749 3921 1 7 . 1 1 105 105 LEU N N 105 117.100 117.100 120.697 -3.597 19749 3922 1 7 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.836 -0.056 19749 3923 1 7 . 1 1 105 105 LEU C C 105 175.400 175.400 176.730 -1.330 19749 3924 1 7 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.537 -0.937 19749 3925 1 7 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.883 -2.483 19749 3926 1 7 . 1 1 105 105 LEU H H 105 7.610 7.610 7.920 -0.310 19749 3927 1 7 . 1 1 106 106 LEU N N 106 124.700 124.700 126.399 -1.699 19749 3928 1 7 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.531 0.069 19749 3929 1 7 . 1 1 106 106 LEU C C 106 177.600 177.600 177.486 0.114 19749 3930 1 7 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.294 0.006 19749 3931 1 7 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.035 2.965 19749 3932 1 7 . 1 1 106 106 LEU H H 106 8.160 8.160 8.134 0.026 19749 3933 1 7 . 1 1 107 107 LEU N N 107 121.400 121.400 119.483 1.917 19749 3934 1 7 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.955 0.155 19749 3935 1 7 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.145 -0.445 19749 3936 1 7 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.037 1.563 19749 3937 1 7 . 1 1 107 107 LEU H H 107 7.930 7.930 8.121 -0.191 19749 3938 1 7 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.710 -0.280 19749 3939 1 7 . 1 1 108 108 PRO C C 108 176.500 176.500 176.135 0.365 19749 3940 1 7 . 1 1 108 108 PRO CA C 108 62.400 62.400 61.846 0.554 19749 3941 1 7 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.512 1.288 19749 3942 1 8 . 1 1 10 10 HIS C C 10 175.000 175.000 174.752 0.248 19749 3943 1 8 . 1 1 10 10 HIS CA C 10 55.900 55.900 56.240 -0.340 19749 3944 1 8 . 1 1 10 10 HIS CB C 10 29.900 29.900 30.115 -0.215 19749 3945 1 8 . 1 1 11 11 MET N N 11 120.400 120.400 117.807 2.593 19749 3946 1 8 . 1 1 11 11 MET HA H 11 4.000 4.000 3.815 0.185 19749 3947 1 8 . 1 1 11 11 MET C C 11 177.500 177.500 174.406 3.094 19749 3948 1 8 . 1 1 11 11 MET CA C 11 54.100 54.100 55.700 -1.600 19749 3949 1 8 . 1 1 11 11 MET CB C 11 31.500 31.500 32.408 -0.908 19749 3950 1 8 . 1 1 11 11 MET H H 11 7.800 7.800 7.398 0.402 19749 3951 1 8 . 1 1 12 12 SER N N 12 118.600 118.600 113.443 5.157 19749 3952 1 8 . 1 1 12 12 SER HA H 12 3.860 3.860 4.241 -0.381 19749 3953 1 8 . 1 1 12 12 SER C C 12 173.900 173.900 172.391 1.509 19749 3954 1 8 . 1 1 12 12 SER CA C 12 61.200 61.200 57.143 4.057 19749 3955 1 8 . 1 1 12 12 SER CB C 12 62.500 62.500 64.683 -2.183 19749 3956 1 8 . 1 1 12 12 SER H H 12 8.520 8.520 7.899 0.621 19749 3957 1 8 . 1 1 13 13 TRP N N 13 113.400 113.400 117.118 -3.718 19749 3958 1 8 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.473 0.416 19749 3959 1 8 . 1 1 13 13 TRP C C 13 176.000 176.000 175.497 0.503 19749 3960 1 8 . 1 1 13 13 TRP CA C 13 53.800 53.800 57.108 -3.308 19749 3961 1 8 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.182 0.918 19749 3962 1 8 . 1 1 13 13 TRP H H 13 6.180 6.180 7.604 -1.424 19749 3963 1 8 . 1 1 14 14 TYR N N 14 123.200 123.200 124.260 -1.060 19749 3964 1 8 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.086 0.484 19749 3965 1 8 . 1 1 14 14 TYR C C 14 174.700 174.700 175.023 -0.323 19749 3966 1 8 . 1 1 14 14 TYR CA C 14 56.000 56.000 57.849 -1.849 19749 3967 1 8 . 1 1 14 14 TYR CB C 14 37.900 37.900 37.551 0.349 19749 3968 1 8 . 1 1 14 14 TYR H H 14 7.430 7.430 7.491 -0.061 19749 3969 1 8 . 1 1 15 15 HIS N N 15 126.900 126.900 128.893 -1.993 19749 3970 1 8 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.878 -0.328 19749 3971 1 8 . 1 1 15 15 HIS C C 15 173.300 173.300 175.034 -1.734 19749 3972 1 8 . 1 1 15 15 HIS CA C 15 53.100 53.100 56.298 -3.198 19749 3973 1 8 . 1 1 15 15 HIS CB C 15 30.400 30.400 30.687 -0.287 19749 3974 1 8 . 1 1 15 15 HIS H H 15 8.680 8.680 8.650 0.030 19749 3975 1 8 . 1 1 16 16 ARG N N 16 122.500 122.500 123.555 -1.055 19749 3976 1 8 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.475 -0.525 19749 3977 1 8 . 1 1 16 16 ARG C C 16 176.100 176.100 176.752 -0.652 19749 3978 1 8 . 1 1 16 16 ARG CA C 16 57.300 57.300 56.429 0.871 19749 3979 1 8 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.920 -0.820 19749 3980 1 8 . 1 1 16 16 ARG H H 16 7.740 7.740 8.612 -0.872 19749 3981 1 8 . 1 1 17 17 ASP N N 17 119.100 119.100 117.907 1.193 19749 3982 1 8 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.720 -0.200 19749 3983 1 8 . 1 1 17 17 ASP C C 17 174.900 174.900 175.364 -0.464 19749 3984 1 8 . 1 1 17 17 ASP CA C 17 54.800 54.800 54.731 0.069 19749 3985 1 8 . 1 1 17 17 ASP CB C 17 39.900 39.900 41.682 -1.782 19749 3986 1 8 . 1 1 17 17 ASP H H 17 8.900 8.900 8.408 0.492 19749 3987 1 8 . 1 1 18 18 LEU N N 18 121.000 121.000 121.362 -0.362 19749 3988 1 8 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.652 -0.142 19749 3989 1 8 . 1 1 18 18 LEU C C 18 176.300 176.300 174.815 1.485 19749 3990 1 8 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.007 0.493 19749 3991 1 8 . 1 1 18 18 LEU CB C 18 44.800 44.800 44.396 0.404 19749 3992 1 8 . 1 1 18 18 LEU H H 18 7.280 7.280 7.474 -0.194 19749 3993 1 8 . 1 1 19 19 SER N N 19 123.400 123.400 120.268 3.132 19749 3994 1 8 . 1 1 19 19 SER HA H 19 4.440 4.440 4.604 -0.164 19749 3995 1 8 . 1 1 19 19 SER C C 19 173.900 173.900 175.525 -1.625 19749 3996 1 8 . 1 1 19 19 SER CA C 19 57.700 57.700 57.342 0.358 19749 3997 1 8 . 1 1 19 19 SER CB C 19 65.200 65.200 65.661 -0.461 19749 3998 1 8 . 1 1 19 19 SER H H 19 8.650 8.650 8.482 0.168 19749 3999 1 8 . 1 1 20 20 ARG N N 20 121.700 121.700 120.939 0.761 19749 4000 1 8 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.937 -0.227 19749 4001 1 8 . 1 1 20 20 ARG C C 20 178.200 178.200 178.371 -0.171 19749 4002 1 8 . 1 1 20 20 ARG CA C 20 60.600 60.600 60.310 0.290 19749 4003 1 8 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.050 0.050 19749 4004 1 8 . 1 1 20 20 ARG H H 20 8.970 8.970 8.947 0.023 19749 4005 1 8 . 1 1 21 21 ALA N N 21 119.900 119.900 120.169 -0.269 19749 4006 1 8 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.433 -0.393 19749 4007 1 8 . 1 1 21 21 ALA C C 21 180.600 180.600 179.673 0.927 19749 4008 1 8 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.798 0.402 19749 4009 1 8 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.202 0.098 19749 4010 1 8 . 1 1 21 21 ALA H H 21 8.670 8.670 8.388 0.282 19749 4011 1 8 . 1 1 22 22 ALA N N 22 121.000 121.000 119.843 1.157 19749 4012 1 8 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.041 0.089 19749 4013 1 8 . 1 1 22 22 ALA C C 22 180.900 180.900 179.323 1.577 19749 4014 1 8 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.513 0.187 19749 4015 1 8 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.239 0.760 19749 4016 1 8 . 1 1 22 22 ALA H H 22 7.890 7.890 7.714 0.176 19749 4017 1 8 . 1 1 23 23 ALA N N 23 121.700 121.700 122.383 -0.683 19749 4018 1 8 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.851 0.029 19749 4019 1 8 . 1 1 23 23 ALA C C 23 178.700 178.700 179.440 -0.740 19749 4020 1 8 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.056 0.044 19749 4021 1 8 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.350 0.850 19749 4022 1 8 . 1 1 23 23 ALA H H 23 8.570 8.570 7.840 0.730 19749 4023 1 8 . 1 1 24 24 GLU N N 24 116.500 116.500 118.948 -2.448 19749 4024 1 8 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.913 -0.153 19749 4025 1 8 . 1 1 24 24 GLU C C 24 178.900 178.900 179.211 -0.311 19749 4026 1 8 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.555 0.945 19749 4027 1 8 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.525 -1.025 19749 4028 1 8 . 1 1 24 24 GLU H H 24 8.200 8.200 8.091 0.109 19749 4029 1 8 . 1 1 25 25 GLU N N 25 120.000 120.000 119.832 0.168 19749 4030 1 8 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.075 -0.015 19749 4031 1 8 . 1 1 25 25 GLU C C 25 178.400 178.400 178.829 -0.429 19749 4032 1 8 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.996 0.404 19749 4033 1 8 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.832 -0.332 19749 4034 1 8 . 1 1 25 25 GLU H H 25 7.690 7.690 7.631 0.059 19749 4035 1 8 . 1 1 26 26 LEU N N 26 120.200 120.200 120.792 -0.592 19749 4036 1 8 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.003 -0.093 19749 4037 1 8 . 1 1 26 26 LEU C C 26 180.200 180.200 179.075 1.125 19749 4038 1 8 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.547 0.653 19749 4039 1 8 . 1 1 26 26 LEU CB C 26 42.400 42.400 42.011 0.389 19749 4040 1 8 . 1 1 26 26 LEU H H 26 7.840 7.840 7.829 0.011 19749 4041 1 8 . 1 1 27 27 LEU N N 27 117.800 117.800 118.870 -1.070 19749 4042 1 8 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.912 0.068 19749 4043 1 8 . 1 1 27 27 LEU C C 27 177.800 177.800 178.451 -0.651 19749 4044 1 8 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.927 -0.327 19749 4045 1 8 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.396 0.504 19749 4046 1 8 . 1 1 27 27 LEU H H 27 7.960 7.960 8.339 -0.379 19749 4047 1 8 . 1 1 28 28 ALA N N 28 120.600 120.600 121.064 -0.464 19749 4048 1 8 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.010 -0.110 19749 4049 1 8 . 1 1 28 28 ALA C C 28 180.900 180.900 179.269 1.631 19749 4050 1 8 . 1 1 28 28 ALA CA C 28 55.200 55.200 55.017 0.183 19749 4051 1 8 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.353 -0.453 19749 4052 1 8 . 1 1 28 28 ALA H H 28 8.160 8.160 7.839 0.321 19749 4053 1 8 . 1 1 29 29 ARG N N 29 116.200 116.200 118.348 -2.148 19749 4054 1 8 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.218 -0.258 19749 4055 1 8 . 1 1 29 29 ARG C C 29 178.000 178.000 178.453 -0.453 19749 4056 1 8 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.505 0.095 19749 4057 1 8 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.640 -0.340 19749 4058 1 8 . 1 1 29 29 ARG H H 29 7.760 7.760 8.029 -0.269 19749 4059 1 8 . 1 1 30 30 ALA N N 30 123.200 123.200 120.598 2.602 19749 4060 1 8 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.344 -0.144 19749 4061 1 8 . 1 1 30 30 ALA C C 30 182.000 182.000 178.906 3.094 19749 4062 1 8 . 1 1 30 30 ALA CA C 30 54.900 54.900 54.008 0.892 19749 4063 1 8 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.065 -0.365 19749 4064 1 8 . 1 1 30 30 ALA H H 30 7.580 7.580 8.188 -0.608 19749 4065 1 8 . 1 1 31 31 GLY N N 31 102.400 102.400 106.478 -4.078 19749 4066 1 8 . 1 1 31 31 GLY C C 31 174.800 174.800 175.234 -0.434 19749 4067 1 8 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.779 3.321 19749 4068 1 8 . 1 1 31 31 GLY H H 31 7.690 7.690 7.736 -0.046 19749 4069 1 8 . 1 1 32 32 ARG N N 32 121.100 121.100 119.723 1.377 19749 4070 1 8 . 1 1 32 32 ARG HA H 32 4.460 4.460 3.893 0.567 19749 4071 1 8 . 1 1 32 32 ARG C C 32 176.500 176.500 173.960 2.540 19749 4072 1 8 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.329 -1.929 19749 4073 1 8 . 1 1 32 32 ARG CB C 32 32.600 32.600 28.885 3.715 19749 4074 1 8 . 1 1 32 32 ARG H H 32 7.040 7.040 8.256 -1.216 19749 4075 1 8 . 1 1 33 33 ASP N N 33 126.100 126.100 117.569 8.531 19749 4076 1 8 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.625 0.145 19749 4077 1 8 . 1 1 33 33 ASP C C 33 176.800 176.800 175.471 1.329 19749 4078 1 8 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.754 1.246 19749 4079 1 8 . 1 1 33 33 ASP CB C 33 41.000 41.000 41.922 -0.922 19749 4080 1 8 . 1 1 33 33 ASP H H 33 9.110 9.110 7.611 1.499 19749 4081 1 8 . 1 1 34 34 GLY N N 34 109.400 109.400 113.416 -4.016 19749 4082 1 8 . 1 1 34 34 GLY C C 34 175.800 175.800 174.416 1.384 19749 4083 1 8 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.799 0.201 19749 4084 1 8 . 1 1 34 34 GLY H H 34 9.440 9.440 8.136 1.304 19749 4085 1 8 . 1 1 35 35 SER N N 35 120.400 120.400 115.123 5.277 19749 4086 1 8 . 1 1 35 35 SER HA H 35 5.990 5.990 5.055 0.935 19749 4087 1 8 . 1 1 35 35 SER C C 35 173.400 173.400 173.942 -0.542 19749 4088 1 8 . 1 1 35 35 SER CA C 35 59.800 59.800 57.531 2.269 19749 4089 1 8 . 1 1 35 35 SER CB C 35 63.700 63.700 63.656 0.044 19749 4090 1 8 . 1 1 35 35 SER H H 35 8.050 8.050 7.632 0.418 19749 4091 1 8 . 1 1 36 36 PHE N N 36 122.000 122.000 120.906 1.094 19749 4092 1 8 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.905 0.135 19749 4093 1 8 . 1 1 36 36 PHE C C 36 170.900 170.900 173.498 -2.598 19749 4094 1 8 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.660 0.640 19749 4095 1 8 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.259 1.141 19749 4096 1 8 . 1 1 36 36 PHE H H 36 8.730 8.730 8.464 0.266 19749 4097 1 8 . 1 1 37 37 LEU N N 37 112.500 112.500 114.834 -2.334 19749 4098 1 8 . 1 1 37 37 LEU HA H 37 5.050 5.050 4.846 0.204 19749 4099 1 8 . 1 1 37 37 LEU C C 37 175.100 175.100 174.301 0.799 19749 4100 1 8 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.100 0.400 19749 4101 1 8 . 1 1 37 37 LEU CB C 37 45.200 45.200 44.881 0.319 19749 4102 1 8 . 1 1 37 37 LEU H H 37 9.000 9.000 8.920 0.080 19749 4103 1 8 . 1 1 38 38 VAL N N 38 120.200 120.200 118.646 1.554 19749 4104 1 8 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.402 0.078 19749 4105 1 8 . 1 1 38 38 VAL C C 38 173.600 173.600 175.019 -1.419 19749 4106 1 8 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.994 0.206 19749 4107 1 8 . 1 1 38 38 VAL CB C 38 35.200 35.200 35.965 -0.765 19749 4108 1 8 . 1 1 38 38 VAL H H 38 9.830 9.830 8.579 1.251 19749 4109 1 8 . 1 1 39 39 ARG N N 39 124.000 124.000 120.217 3.783 19749 4110 1 8 . 1 1 39 39 ARG HA H 39 5.520 5.520 4.425 1.095 19749 4111 1 8 . 1 1 39 39 ARG C C 39 174.700 174.700 174.376 0.324 19749 4112 1 8 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.832 -1.032 19749 4113 1 8 . 1 1 39 39 ARG CB C 39 34.200 34.200 32.886 1.314 19749 4114 1 8 . 1 1 39 39 ARG H H 39 9.240 9.240 9.146 0.094 19749 4115 1 8 . 1 1 40 40 ASP N N 40 122.800 122.800 120.509 2.291 19749 4116 1 8 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.119 -0.169 19749 4117 1 8 . 1 1 40 40 ASP C C 40 176.500 176.500 175.922 0.578 19749 4118 1 8 . 1 1 40 40 ASP CA C 40 55.900 55.900 54.495 1.405 19749 4119 1 8 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.151 -0.251 19749 4120 1 8 . 1 1 40 40 ASP H H 40 9.060 9.060 8.594 0.466 19749 4121 1 8 . 1 1 41 41 SER N N 41 113.600 113.600 117.194 -3.594 19749 4122 1 8 . 1 1 41 41 SER HA H 41 4.200 4.200 4.285 -0.085 19749 4123 1 8 . 1 1 41 41 SER C C 41 175.700 175.700 175.313 0.387 19749 4124 1 8 . 1 1 41 41 SER CA C 41 58.400 58.400 58.932 -0.532 19749 4125 1 8 . 1 1 41 41 SER CB C 41 63.900 63.900 64.404 -0.504 19749 4126 1 8 . 1 1 41 41 SER H H 41 7.870 7.870 8.280 -0.410 19749 4127 1 8 . 1 1 42 42 GLU N N 42 127.200 127.200 122.809 4.391 19749 4128 1 8 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.456 -0.066 19749 4129 1 8 . 1 1 42 42 GLU C C 42 176.500 176.500 177.095 -0.595 19749 4130 1 8 . 1 1 42 42 GLU CA C 42 57.700 57.700 57.385 0.315 19749 4131 1 8 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.684 -0.184 19749 4132 1 8 . 1 1 42 42 GLU H H 42 9.600 9.600 8.865 0.735 19749 4133 1 8 . 1 1 43 43 SER N N 43 113.400 113.400 116.407 -3.007 19749 4134 1 8 . 1 1 43 43 SER HA H 43 4.590 4.590 4.355 0.235 19749 4135 1 8 . 1 1 43 43 SER C C 43 174.000 174.000 174.877 -0.877 19749 4136 1 8 . 1 1 43 43 SER CA C 43 59.400 59.400 60.364 -0.964 19749 4137 1 8 . 1 1 43 43 SER CB C 43 65.100 65.100 63.796 1.304 19749 4138 1 8 . 1 1 43 43 SER H H 43 8.110 8.110 8.028 0.082 19749 4139 1 8 . 1 1 44 44 VAL N N 44 123.200 123.200 120.816 2.384 19749 4140 1 8 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.159 -0.019 19749 4141 1 8 . 1 1 44 44 VAL C C 44 174.800 174.800 174.398 0.402 19749 4142 1 8 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.322 0.378 19749 4143 1 8 . 1 1 44 44 VAL CB C 44 33.700 33.700 33.957 -0.257 19749 4144 1 8 . 1 1 44 44 VAL H H 44 7.620 7.620 7.436 0.184 19749 4145 1 8 . 1 1 45 45 ALA N N 45 130.900 130.900 131.060 -0.160 19749 4146 1 8 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.250 -0.100 19749 4147 1 8 . 1 1 45 45 ALA C C 45 178.700 178.700 178.591 0.109 19749 4148 1 8 . 1 1 45 45 ALA CA C 45 53.700 53.700 53.281 0.419 19749 4149 1 8 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.964 -0.864 19749 4150 1 8 . 1 1 45 45 ALA H H 45 8.480 8.480 8.483 -0.003 19749 4151 1 8 . 1 1 46 46 GLY N N 46 111.400 111.400 110.173 1.227 19749 4152 1 8 . 1 1 46 46 GLY C C 46 171.700 171.700 173.890 -2.190 19749 4153 1 8 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.679 0.721 19749 4154 1 8 . 1 1 46 46 GLY H H 46 8.600 8.600 8.536 0.064 19749 4155 1 8 . 1 1 47 47 ALA N N 47 117.600 117.600 122.847 -5.247 19749 4156 1 8 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.205 0.675 19749 4157 1 8 . 1 1 47 47 ALA C C 47 177.200 177.200 175.450 1.750 19749 4158 1 8 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.709 -0.909 19749 4159 1 8 . 1 1 47 47 ALA CB C 47 21.700 21.700 20.950 0.750 19749 4160 1 8 . 1 1 47 47 ALA H H 47 7.340 7.340 7.210 0.130 19749 4161 1 8 . 1 1 48 48 PHE N N 48 117.100 117.100 116.625 0.475 19749 4162 1 8 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.234 0.136 19749 4163 1 8 . 1 1 48 48 PHE C C 48 174.100 174.100 174.730 -0.630 19749 4164 1 8 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.485 0.015 19749 4165 1 8 . 1 1 48 48 PHE CB C 48 43.900 43.900 42.893 1.007 19749 4166 1 8 . 1 1 48 48 PHE H H 48 9.160 9.160 8.219 0.941 19749 4167 1 8 . 1 1 49 49 ALA N N 49 125.600 125.600 121.964 3.636 19749 4168 1 8 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.359 -0.169 19749 4169 1 8 . 1 1 49 49 ALA C C 49 174.900 174.900 175.155 -0.255 19749 4170 1 8 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.063 1.137 19749 4171 1 8 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.632 -2.232 19749 4172 1 8 . 1 1 49 49 ALA H H 49 9.630 9.630 8.893 0.737 19749 4173 1 8 . 1 1 50 50 LEU N N 50 127.100 127.100 123.241 3.859 19749 4174 1 8 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.359 -0.289 19749 4175 1 8 . 1 1 50 50 LEU C C 50 174.500 174.500 175.399 -0.899 19749 4176 1 8 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.667 0.333 19749 4177 1 8 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.206 -1.306 19749 4178 1 8 . 1 1 50 50 LEU H H 50 9.350 9.350 8.578 0.772 19749 4179 1 8 . 1 1 51 51 CYS N N 51 127.300 127.300 129.041 -1.741 19749 4180 1 8 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.417 -0.007 19749 4181 1 8 . 1 1 51 51 CYS C C 51 173.000 173.000 173.108 -0.108 19749 4182 1 8 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.247 0.953 19749 4183 1 8 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.079 2.321 19749 4184 1 8 . 1 1 51 51 CYS H H 51 9.300 9.300 9.114 0.186 19749 4185 1 8 . 1 1 52 52 VAL N N 52 123.100 123.100 129.485 -6.385 19749 4186 1 8 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.850 0.310 19749 4187 1 8 . 1 1 52 52 VAL C C 52 173.800 173.800 173.985 -0.185 19749 4188 1 8 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.391 -1.491 19749 4189 1 8 . 1 1 52 52 VAL CB C 52 36.300 36.300 35.224 1.076 19749 4190 1 8 . 1 1 52 52 VAL H H 52 9.460 9.460 9.114 0.346 19749 4191 1 8 . 1 1 53 53 LEU N N 53 130.700 130.700 127.404 3.296 19749 4192 1 8 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.168 -0.188 19749 4193 1 8 . 1 1 53 53 LEU C C 53 175.200 175.200 174.523 0.677 19749 4194 1 8 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.193 0.807 19749 4195 1 8 . 1 1 53 53 LEU CB C 53 45.300 45.300 45.309 -0.009 19749 4196 1 8 . 1 1 53 53 LEU H H 53 9.320 9.320 8.681 0.639 19749 4197 1 8 . 1 1 54 54 TYR N N 54 125.700 125.700 126.693 -0.993 19749 4198 1 8 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.761 0.149 19749 4199 1 8 . 1 1 54 54 TYR C C 54 175.400 175.400 174.205 1.195 19749 4200 1 8 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.680 1.020 19749 4201 1 8 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.056 1.644 19749 4202 1 8 . 1 1 54 54 TYR H H 54 9.260 9.260 8.713 0.547 19749 4203 1 8 . 1 1 55 55 GLN N N 55 129.900 129.900 126.637 3.263 19749 4204 1 8 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.821 -0.121 19749 4205 1 8 . 1 1 55 55 GLN C C 55 175.900 175.900 175.358 0.542 19749 4206 1 8 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.407 0.293 19749 4207 1 8 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.619 -1.019 19749 4208 1 8 . 1 1 55 55 GLN H H 55 9.750 9.750 8.514 1.236 19749 4209 1 8 . 1 1 56 56 LYS N N 56 107.600 107.600 118.019 -10.419 19749 4210 1 8 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.888 -0.448 19749 4211 1 8 . 1 1 56 56 LYS C C 56 174.800 174.800 174.746 0.054 19749 4212 1 8 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.552 0.848 19749 4213 1 8 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.834 -2.034 19749 4214 1 8 . 1 1 56 56 LYS H H 56 8.920 8.920 8.516 0.404 19749 4215 1 8 . 1 1 57 57 HIS N N 57 118.200 118.200 117.134 1.066 19749 4216 1 8 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.845 0.055 19749 4217 1 8 . 1 1 57 57 HIS C C 57 173.400 173.400 173.125 0.275 19749 4218 1 8 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.771 -0.471 19749 4219 1 8 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.433 0.467 19749 4220 1 8 . 1 1 57 57 HIS H H 57 7.980 7.980 7.410 0.570 19749 4221 1 8 . 1 1 58 58 VAL N N 58 124.500 124.500 128.600 -4.100 19749 4222 1 8 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.781 -0.441 19749 4223 1 8 . 1 1 58 58 VAL C C 58 175.700 175.700 175.184 0.516 19749 4224 1 8 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.506 1.594 19749 4225 1 8 . 1 1 58 58 VAL CB C 58 32.000 32.000 33.081 -1.081 19749 4226 1 8 . 1 1 58 58 VAL H H 58 8.800 8.800 8.470 0.330 19749 4227 1 8 . 1 1 59 59 HIS N N 59 132.200 132.200 127.306 4.894 19749 4228 1 8 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.674 -0.154 19749 4229 1 8 . 1 1 59 59 HIS C C 59 174.100 174.100 173.931 0.169 19749 4230 1 8 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.017 1.683 19749 4231 1 8 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.848 -1.648 19749 4232 1 8 . 1 1 59 59 HIS H H 59 9.830 9.830 8.930 0.900 19749 4233 1 8 . 1 1 60 60 THR N N 60 119.300 119.300 113.916 5.384 19749 4234 1 8 . 1 1 60 60 THR HA H 60 5.280 5.280 5.046 0.234 19749 4235 1 8 . 1 1 60 60 THR C C 60 173.700 173.700 173.302 0.398 19749 4236 1 8 . 1 1 60 60 THR CA C 60 62.100 62.100 60.385 1.715 19749 4237 1 8 . 1 1 60 60 THR CB C 60 70.300 70.300 70.023 0.277 19749 4238 1 8 . 1 1 60 60 THR H H 60 8.420 8.420 8.201 0.219 19749 4239 1 8 . 1 1 61 61 TYR N N 61 127.000 127.000 126.409 0.591 19749 4240 1 8 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.707 0.093 19749 4241 1 8 . 1 1 61 61 TYR C C 61 175.000 175.000 175.846 -0.846 19749 4242 1 8 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.496 0.004 19749 4243 1 8 . 1 1 61 61 TYR CB C 61 40.900 40.900 40.035 0.865 19749 4244 1 8 . 1 1 61 61 TYR H H 61 9.810 9.810 8.517 1.293 19749 4245 1 8 . 1 1 62 62 ARG N N 62 124.200 124.200 123.586 0.614 19749 4246 1 8 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.661 0.049 19749 4247 1 8 . 1 1 62 62 ARG C C 62 175.000 175.000 175.019 -0.019 19749 4248 1 8 . 1 1 62 62 ARG CA C 62 56.900 56.900 56.221 0.679 19749 4249 1 8 . 1 1 62 62 ARG CB C 62 31.500 31.500 31.029 0.471 19749 4250 1 8 . 1 1 62 62 ARG H H 62 9.240 9.240 8.827 0.413 19749 4251 1 8 . 1 1 63 63 ILE N N 63 124.100 124.100 121.086 3.014 19749 4252 1 8 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.747 0.013 19749 4253 1 8 . 1 1 63 63 ILE C C 63 174.900 174.900 174.526 0.374 19749 4254 1 8 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.513 -0.013 19749 4255 1 8 . 1 1 63 63 ILE CB C 63 39.600 39.600 41.162 -1.562 19749 4256 1 8 . 1 1 63 63 ILE H H 63 8.810 8.810 7.865 0.945 19749 4257 1 8 . 1 1 64 64 LEU N N 64 126.200 126.200 129.723 -3.523 19749 4258 1 8 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.765 0.435 19749 4259 1 8 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.588 -0.988 19749 4260 1 8 . 1 1 64 64 LEU CB C 64 44.200 44.200 41.384 2.816 19749 4261 1 8 . 1 1 64 64 LEU H H 64 8.660 8.660 8.748 -0.088 19749 4262 1 8 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.380 0.850 19749 4263 1 8 . 1 1 65 65 PRO C C 65 177.000 177.000 175.956 1.044 19749 4264 1 8 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.237 -1.737 19749 4265 1 8 . 1 1 65 65 PRO CB C 65 32.300 32.300 31.848 0.452 19749 4266 1 8 . 1 1 66 66 ASP N N 66 124.500 124.500 116.794 7.706 19749 4267 1 8 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.372 0.528 19749 4268 1 8 . 1 1 66 66 ASP C C 66 177.200 177.200 176.319 0.881 19749 4269 1 8 . 1 1 66 66 ASP CA C 66 52.600 52.600 53.703 -1.103 19749 4270 1 8 . 1 1 66 66 ASP CB C 66 43.000 43.000 40.894 2.107 19749 4271 1 8 . 1 1 66 66 ASP H H 66 8.650 8.650 8.015 0.635 19749 4272 1 8 . 1 1 67 67 GLY N N 67 108.300 108.300 110.857 -2.557 19749 4273 1 8 . 1 1 67 67 GLY C C 67 174.700 174.700 173.768 0.932 19749 4274 1 8 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.481 0.419 19749 4275 1 8 . 1 1 67 67 GLY H H 67 8.420 8.420 8.661 -0.241 19749 4276 1 8 . 1 1 68 68 GLU N N 68 120.300 120.300 123.177 -2.877 19749 4277 1 8 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.397 -0.057 19749 4278 1 8 . 1 1 68 68 GLU C C 68 176.100 176.100 176.115 -0.015 19749 4279 1 8 . 1 1 68 68 GLU CA C 68 56.800 56.800 56.809 -0.009 19749 4280 1 8 . 1 1 68 68 GLU CB C 68 30.300 30.300 31.531 -1.231 19749 4281 1 8 . 1 1 68 68 GLU H H 68 8.580 8.580 8.231 0.349 19749 4282 1 8 . 1 1 69 69 ASP N N 69 115.000 115.000 118.914 -3.914 19749 4283 1 8 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.812 -0.292 19749 4284 1 8 . 1 1 69 69 ASP C C 69 175.500 175.500 175.263 0.237 19749 4285 1 8 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.554 1.346 19749 4286 1 8 . 1 1 69 69 ASP CB C 69 40.600 40.600 42.449 -1.849 19749 4287 1 8 . 1 1 69 69 ASP H H 69 8.360 8.360 8.455 -0.095 19749 4288 1 8 . 1 1 70 70 PHE N N 70 117.200 117.200 117.014 0.186 19749 4289 1 8 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.175 -0.185 19749 4290 1 8 . 1 1 70 70 PHE C C 70 175.700 175.700 173.659 2.041 19749 4291 1 8 . 1 1 70 70 PHE CA C 70 57.600 57.600 55.737 1.863 19749 4292 1 8 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.612 0.088 19749 4293 1 8 . 1 1 70 70 PHE H H 70 8.120 8.120 7.225 0.895 19749 4294 1 8 . 1 1 71 71 LEU N N 71 120.900 120.900 118.661 2.239 19749 4295 1 8 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.422 -0.472 19749 4296 1 8 . 1 1 71 71 LEU C C 71 175.900 175.900 175.673 0.227 19749 4297 1 8 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.371 0.529 19749 4298 1 8 . 1 1 71 71 LEU CB C 71 45.700 45.700 45.408 0.292 19749 4299 1 8 . 1 1 71 71 LEU H H 71 9.330 9.330 9.069 0.261 19749 4300 1 8 . 1 1 72 72 ALA N N 72 121.500 121.500 125.805 -4.305 19749 4301 1 8 . 1 1 72 72 ALA HA H 72 5.210 5.210 5.253 -0.043 19749 4302 1 8 . 1 1 72 72 ALA C C 72 176.900 176.900 176.050 0.850 19749 4303 1 8 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.008 1.492 19749 4304 1 8 . 1 1 72 72 ALA CB C 72 23.000 23.000 22.485 0.515 19749 4305 1 8 . 1 1 72 72 ALA H H 72 8.670 8.670 8.545 0.125 19749 4306 1 8 . 1 1 73 73 VAL N N 73 122.700 122.700 120.954 1.746 19749 4307 1 8 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.142 0.438 19749 4308 1 8 . 1 1 73 73 VAL C C 73 175.100 175.100 174.465 0.635 19749 4309 1 8 . 1 1 73 73 VAL CA C 73 61.800 61.800 62.443 -0.643 19749 4310 1 8 . 1 1 73 73 VAL CB C 73 33.800 33.800 32.458 1.342 19749 4311 1 8 . 1 1 73 73 VAL H H 73 9.310 9.310 8.115 1.195 19749 4312 1 8 . 1 1 74 74 GLN N N 74 128.600 128.600 127.120 1.480 19749 4313 1 8 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.684 0.026 19749 4314 1 8 . 1 1 74 74 GLN C C 74 175.900 175.900 174.157 1.743 19749 4315 1 8 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.150 -0.050 19749 4316 1 8 . 1 1 74 74 GLN CB C 74 29.700 29.700 31.603 -1.903 19749 4317 1 8 . 1 1 74 74 GLN H H 74 9.090 9.090 8.538 0.552 19749 4318 1 8 . 1 1 75 75 THR N N 75 117.700 117.700 117.343 0.357 19749 4319 1 8 . 1 1 75 75 THR HA H 75 4.490 4.490 4.730 -0.240 19749 4320 1 8 . 1 1 75 75 THR C C 75 174.700 174.700 174.812 -0.112 19749 4321 1 8 . 1 1 75 75 THR CA C 75 62.200 62.200 59.921 2.279 19749 4322 1 8 . 1 1 75 75 THR CB C 75 69.800 69.800 70.359 -0.559 19749 4323 1 8 . 1 1 75 75 THR H H 75 8.510 8.510 8.412 0.098 19749 4324 1 8 . 1 1 76 76 SER N N 76 115.300 115.300 116.389 -1.089 19749 4325 1 8 . 1 1 76 76 SER HA H 76 4.540 4.540 4.395 0.145 19749 4326 1 8 . 1 1 76 76 SER C C 76 174.200 174.200 174.900 -0.700 19749 4327 1 8 . 1 1 76 76 SER CA C 76 58.600 58.600 59.236 -0.636 19749 4328 1 8 . 1 1 76 76 SER CB C 76 64.200 64.200 63.081 1.119 19749 4329 1 8 . 1 1 76 76 SER H H 76 8.250 8.250 8.907 -0.657 19749 4330 1 8 . 1 1 77 77 GLN N N 77 120.500 120.500 117.262 3.238 19749 4331 1 8 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.071 0.149 19749 4332 1 8 . 1 1 77 77 GLN C C 77 176.900 176.900 175.567 1.333 19749 4333 1 8 . 1 1 77 77 GLN CA C 77 57.300 57.300 56.860 0.440 19749 4334 1 8 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.781 0.119 19749 4335 1 8 . 1 1 77 77 GLN H H 77 8.510 8.510 7.900 0.610 19749 4336 1 8 . 1 1 78 78 GLY N N 78 110.300 110.300 112.617 -2.317 19749 4337 1 8 . 1 1 78 78 GLY C C 78 173.800 173.800 173.860 -0.060 19749 4338 1 8 . 1 1 78 78 GLY CA C 78 45.500 45.500 44.972 0.528 19749 4339 1 8 . 1 1 78 78 GLY H H 78 8.610 8.610 8.733 -0.123 19749 4340 1 8 . 1 1 79 79 VAL N N 79 119.500 119.500 121.566 -2.066 19749 4341 1 8 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.344 0.206 19749 4342 1 8 . 1 1 79 79 VAL CA C 79 59.500 59.500 60.509 -1.009 19749 4343 1 8 . 1 1 79 79 VAL CB C 79 32.800 32.800 31.568 1.232 19749 4344 1 8 . 1 1 79 79 VAL H H 79 7.400 7.400 7.765 -0.365 19749 4345 1 8 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.473 -0.053 19749 4346 1 8 . 1 1 80 80 PRO C C 80 176.900 176.900 176.203 0.697 19749 4347 1 8 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.323 0.977 19749 4348 1 8 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.297 1.002 19749 4349 1 8 . 1 1 81 81 VAL N N 81 121.600 121.600 124.900 -3.300 19749 4350 1 8 . 1 1 81 81 VAL HA H 81 4.040 4.040 3.831 0.209 19749 4351 1 8 . 1 1 81 81 VAL C C 81 175.800 175.800 176.710 -0.910 19749 4352 1 8 . 1 1 81 81 VAL CA C 81 63.000 63.000 64.260 -1.260 19749 4353 1 8 . 1 1 81 81 VAL CB C 81 32.800 32.800 31.590 1.210 19749 4354 1 8 . 1 1 81 81 VAL H H 81 8.390 8.390 7.975 0.415 19749 4355 1 8 . 1 1 82 82 ARG N N 82 125.400 125.400 129.485 -4.085 19749 4356 1 8 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.595 -0.145 19749 4357 1 8 . 1 1 82 82 ARG C C 82 173.900 173.900 174.419 -0.519 19749 4358 1 8 . 1 1 82 82 ARG CA C 82 55.000 55.000 53.080 1.920 19749 4359 1 8 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.619 0.681 19749 4360 1 8 . 1 1 82 82 ARG H H 82 8.170 8.170 8.188 -0.018 19749 4361 1 8 . 1 1 83 83 ARG N N 83 121.200 121.200 120.761 0.439 19749 4362 1 8 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.361 0.969 19749 4363 1 8 . 1 1 83 83 ARG C C 83 175.600 175.600 174.550 1.050 19749 4364 1 8 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.361 -0.861 19749 4365 1 8 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.170 2.330 19749 4366 1 8 . 1 1 83 83 ARG H H 83 8.060 8.060 8.217 -0.157 19749 4367 1 8 . 1 1 84 84 PHE N N 84 118.600 118.600 121.165 -2.565 19749 4368 1 8 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.909 0.041 19749 4369 1 8 . 1 1 84 84 PHE C C 84 175.200 175.200 174.380 0.820 19749 4370 1 8 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.419 0.681 19749 4371 1 8 . 1 1 84 84 PHE CB C 84 44.500 44.500 44.039 0.461 19749 4372 1 8 . 1 1 84 84 PHE H H 84 9.320 9.320 8.496 0.824 19749 4373 1 8 . 1 1 85 85 GLN N N 85 120.800 120.800 119.747 1.053 19749 4374 1 8 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.698 -0.648 19749 4375 1 8 . 1 1 85 85 GLN C C 85 176.000 176.000 174.930 1.070 19749 4376 1 8 . 1 1 85 85 GLN CA C 85 58.400 58.400 55.398 3.002 19749 4377 1 8 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.137 1.163 19749 4378 1 8 . 1 1 85 85 GLN H H 85 9.660 9.660 8.785 0.875 19749 4379 1 8 . 1 1 86 86 THR N N 86 103.000 103.000 114.906 -11.906 19749 4380 1 8 . 1 1 86 86 THR HA H 86 4.810 4.810 4.295 0.515 19749 4381 1 8 . 1 1 86 86 THR C C 86 174.500 174.500 174.125 0.375 19749 4382 1 8 . 1 1 86 86 THR CA C 86 58.700 58.700 62.291 -3.591 19749 4383 1 8 . 1 1 86 86 THR CB C 86 73.400 73.400 69.556 3.844 19749 4384 1 8 . 1 1 86 86 THR H H 86 7.260 7.260 7.733 -0.473 19749 4385 1 8 . 1 1 87 87 LEU N N 87 122.200 122.200 127.244 -5.044 19749 4386 1 8 . 1 1 87 87 LEU HA H 87 3.830 3.830 4.091 -0.261 19749 4387 1 8 . 1 1 87 87 LEU C C 87 178.600 178.600 177.996 0.604 19749 4388 1 8 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.053 0.047 19749 4389 1 8 . 1 1 87 87 LEU CB C 87 42.400 42.400 42.008 0.392 19749 4390 1 8 . 1 1 87 87 LEU H H 87 9.150 9.150 8.723 0.427 19749 4391 1 8 . 1 1 88 88 GLY N N 88 105.200 105.200 106.651 -1.451 19749 4392 1 8 . 1 1 88 88 GLY C C 88 176.900 176.900 176.223 0.677 19749 4393 1 8 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.224 0.176 19749 4394 1 8 . 1 1 88 88 GLY H H 88 8.870 8.870 8.120 0.750 19749 4395 1 8 . 1 1 89 89 GLU N N 89 122.000 122.000 121.151 0.849 19749 4396 1 8 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.176 -0.246 19749 4397 1 8 . 1 1 89 89 GLU C C 89 177.600 177.600 178.409 -0.809 19749 4398 1 8 . 1 1 89 89 GLU CA C 89 58.900 58.900 57.905 0.995 19749 4399 1 8 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.220 1.780 19749 4400 1 8 . 1 1 89 89 GLU H H 89 7.670 7.670 7.673 -0.003 19749 4401 1 8 . 1 1 90 90 LEU N N 90 122.300 122.300 121.737 0.563 19749 4402 1 8 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.507 -0.077 19749 4403 1 8 . 1 1 90 90 LEU C C 90 177.200 177.200 177.984 -0.784 19749 4404 1 8 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.718 0.983 19749 4405 1 8 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.859 0.241 19749 4406 1 8 . 1 1 90 90 LEU H H 90 6.880 6.880 6.962 -0.082 19749 4407 1 8 . 1 1 91 91 ILE N N 91 118.800 118.800 117.223 1.577 19749 4408 1 8 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.516 -0.406 19749 4409 1 8 . 1 1 91 91 ILE C C 91 177.700 177.700 178.437 -0.737 19749 4410 1 8 . 1 1 91 91 ILE CA C 91 61.400 61.400 63.327 -1.927 19749 4411 1 8 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.092 -0.692 19749 4412 1 8 . 1 1 91 91 ILE H H 91 7.880 7.880 7.968 -0.088 19749 4413 1 8 . 1 1 92 92 GLY N N 92 103.900 103.900 108.115 -4.215 19749 4414 1 8 . 1 1 92 92 GLY C C 92 176.400 176.400 175.707 0.693 19749 4415 1 8 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.067 -0.267 19749 4416 1 8 . 1 1 92 92 GLY H H 92 7.570 7.570 7.753 -0.183 19749 4417 1 8 . 1 1 93 93 LEU N N 93 123.200 123.200 121.971 1.229 19749 4418 1 8 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.192 -0.112 19749 4419 1 8 . 1 1 93 93 LEU C C 93 179.100 179.100 178.378 0.722 19749 4420 1 8 . 1 1 93 93 LEU CA C 93 57.400 57.400 56.797 0.603 19749 4421 1 8 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.669 -1.869 19749 4422 1 8 . 1 1 93 93 LEU H H 93 7.360 7.360 7.439 -0.079 19749 4423 1 8 . 1 1 94 94 TYR N N 94 114.000 114.000 117.409 -3.409 19749 4424 1 8 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.304 -0.074 19749 4425 1 8 . 1 1 94 94 TYR C C 94 175.600 175.600 177.090 -1.490 19749 4426 1 8 . 1 1 94 94 TYR CA C 94 60.200 60.200 59.503 0.697 19749 4427 1 8 . 1 1 94 94 TYR CB C 94 36.600 36.600 37.278 -0.678 19749 4428 1 8 . 1 1 94 94 TYR H H 94 7.380 7.380 8.063 -0.683 19749 4429 1 8 . 1 1 95 95 ALA N N 95 123.100 123.100 120.344 2.756 19749 4430 1 8 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.137 0.223 19749 4431 1 8 . 1 1 95 95 ALA C C 95 177.300 177.300 177.186 0.114 19749 4432 1 8 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.057 0.843 19749 4433 1 8 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.543 0.457 19749 4434 1 8 . 1 1 95 95 ALA H H 95 7.330 7.330 7.368 -0.038 19749 4435 1 8 . 1 1 96 96 GLN N N 96 116.500 116.500 119.669 -3.169 19749 4436 1 8 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.762 -0.222 19749 4437 1 8 . 1 1 96 96 GLN CA C 96 53.000 53.000 51.909 1.091 19749 4438 1 8 . 1 1 96 96 GLN CB C 96 28.600 28.600 30.345 -1.745 19749 4439 1 8 . 1 1 96 96 GLN H H 96 7.620 7.620 7.292 0.328 19749 4440 1 8 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.457 -0.217 19749 4441 1 8 . 1 1 97 97 PRO C C 97 176.800 176.800 176.808 -0.008 19749 4442 1 8 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.622 0.178 19749 4443 1 8 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.556 0.244 19749 4444 1 8 . 1 1 98 98 ASN N N 98 114.900 114.900 114.151 0.749 19749 4445 1 8 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.368 0.112 19749 4446 1 8 . 1 1 98 98 ASN C C 98 175.100 175.100 174.497 0.603 19749 4447 1 8 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.612 -0.312 19749 4448 1 8 . 1 1 98 98 ASN CB C 98 36.900 36.900 36.521 0.379 19749 4449 1 8 . 1 1 98 98 ASN H H 98 8.960 8.960 8.790 0.170 19749 4450 1 8 . 1 1 99 99 GLN N N 99 115.400 115.400 116.400 -1.000 19749 4451 1 8 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.471 0.029 19749 4452 1 8 . 1 1 99 99 GLN C C 99 176.100 176.100 175.433 0.667 19749 4453 1 8 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.309 -1.009 19749 4454 1 8 . 1 1 99 99 GLN CB C 99 29.600 29.600 30.038 -0.438 19749 4455 1 8 . 1 1 99 99 GLN H H 99 8.610 8.610 8.591 0.019 19749 4456 1 8 . 1 1 100 100 GLY N N 100 107.400 107.400 106.009 1.391 19749 4457 1 8 . 1 1 100 100 GLY C C 100 174.600 174.600 173.076 1.524 19749 4458 1 8 . 1 1 100 100 GLY CA C 100 45.400 45.400 44.982 0.418 19749 4459 1 8 . 1 1 100 100 GLY H H 100 8.460 8.460 8.023 0.437 19749 4460 1 8 . 1 1 101 101 LEU N N 101 118.400 118.400 121.278 -2.878 19749 4461 1 8 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.153 0.227 19749 4462 1 8 . 1 1 101 101 LEU C C 101 178.000 178.000 178.548 -0.548 19749 4463 1 8 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.291 -1.391 19749 4464 1 8 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.257 0.143 19749 4465 1 8 . 1 1 101 101 LEU H H 101 8.020 8.020 7.512 0.508 19749 4466 1 8 . 1 1 102 102 VAL N N 102 114.700 114.700 121.486 -6.786 19749 4467 1 8 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.805 -0.215 19749 4468 1 8 . 1 1 102 102 VAL C C 102 173.600 173.600 175.587 -1.987 19749 4469 1 8 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.549 -0.949 19749 4470 1 8 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.054 -0.954 19749 4471 1 8 . 1 1 102 102 VAL H H 102 7.260 7.260 8.631 -1.371 19749 4472 1 8 . 1 1 103 103 CYS N N 103 112.400 112.400 117.655 -5.255 19749 4473 1 8 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.441 -0.201 19749 4474 1 8 . 1 1 103 103 CYS C C 103 170.600 170.600 173.626 -3.026 19749 4475 1 8 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.247 -1.147 19749 4476 1 8 . 1 1 103 103 CYS CB C 103 29.600 29.600 30.243 -0.643 19749 4477 1 8 . 1 1 103 103 CYS H H 103 6.920 6.920 7.507 -0.587 19749 4478 1 8 . 1 1 104 104 ALA N N 104 119.600 119.600 125.996 -6.396 19749 4479 1 8 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.213 -0.003 19749 4480 1 8 . 1 1 104 104 ALA C C 104 176.300 176.300 177.159 -0.859 19749 4481 1 8 . 1 1 104 104 ALA CA C 104 51.600 51.600 51.654 -0.054 19749 4482 1 8 . 1 1 104 104 ALA CB C 104 19.400 19.400 19.633 -0.233 19749 4483 1 8 . 1 1 104 104 ALA H H 104 7.840 7.840 8.044 -0.204 19749 4484 1 8 . 1 1 105 105 LEU N N 105 117.100 117.100 121.961 -4.861 19749 4485 1 8 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.693 0.087 19749 4486 1 8 . 1 1 105 105 LEU C C 105 175.400 175.400 176.502 -1.102 19749 4487 1 8 . 1 1 105 105 LEU CA C 105 53.600 53.600 55.217 -1.617 19749 4488 1 8 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.160 -1.760 19749 4489 1 8 . 1 1 105 105 LEU H H 105 7.610 7.610 7.814 -0.204 19749 4490 1 8 . 1 1 106 106 LEU N N 106 124.700 124.700 125.945 -1.245 19749 4491 1 8 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.545 0.055 19749 4492 1 8 . 1 1 106 106 LEU C C 106 177.600 177.600 177.599 0.001 19749 4493 1 8 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.615 0.685 19749 4494 1 8 . 1 1 106 106 LEU CB C 106 46.000 46.000 42.998 3.002 19749 4495 1 8 . 1 1 106 106 LEU H H 106 8.160 8.160 8.151 0.009 19749 4496 1 8 . 1 1 107 107 LEU N N 107 121.400 121.400 120.309 1.091 19749 4497 1 8 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.958 0.152 19749 4498 1 8 . 1 1 107 107 LEU CA C 107 51.700 51.700 51.998 -0.298 19749 4499 1 8 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.800 0.800 19749 4500 1 8 . 1 1 107 107 LEU H H 107 7.930 7.930 7.985 -0.055 19749 4501 1 8 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.602 -0.172 19749 4502 1 8 . 1 1 108 108 PRO C C 108 176.500 176.500 176.277 0.223 19749 4503 1 8 . 1 1 108 108 PRO CA C 108 62.400 62.400 64.423 -2.023 19749 4504 1 8 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.719 1.081 19749 4505 1 9 . 1 1 10 10 HIS C C 10 175.000 175.000 174.822 0.178 19749 4506 1 9 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.791 0.109 19749 4507 1 9 . 1 1 10 10 HIS CB C 10 29.900 29.900 30.670 -0.770 19749 4508 1 9 . 1 1 11 11 MET N N 11 120.400 120.400 126.220 -5.820 19749 4509 1 9 . 1 1 11 11 MET HA H 11 4.000 4.000 4.479 -0.479 19749 4510 1 9 . 1 1 11 11 MET C C 11 177.500 177.500 175.377 2.123 19749 4511 1 9 . 1 1 11 11 MET CA C 11 54.100 54.100 56.161 -2.061 19749 4512 1 9 . 1 1 11 11 MET CB C 11 31.500 31.500 31.276 0.224 19749 4513 1 9 . 1 1 11 11 MET H H 11 7.800 7.800 8.684 -0.884 19749 4514 1 9 . 1 1 12 12 SER N N 12 118.600 118.600 120.320 -1.720 19749 4515 1 9 . 1 1 12 12 SER HA H 12 3.860 3.860 4.338 -0.478 19749 4516 1 9 . 1 1 12 12 SER C C 12 173.900 173.900 172.878 1.022 19749 4517 1 9 . 1 1 12 12 SER CA C 12 61.200 61.200 56.872 4.328 19749 4518 1 9 . 1 1 12 12 SER CB C 12 62.500 62.500 64.213 -1.713 19749 4519 1 9 . 1 1 12 12 SER H H 12 8.520 8.520 7.929 0.591 19749 4520 1 9 . 1 1 13 13 TRP N N 13 113.400 113.400 118.674 -5.274 19749 4521 1 9 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.357 0.533 19749 4522 1 9 . 1 1 13 13 TRP C C 13 176.000 176.000 175.490 0.510 19749 4523 1 9 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.691 -2.891 19749 4524 1 9 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.683 0.417 19749 4525 1 9 . 1 1 13 13 TRP H H 13 6.180 6.180 7.439 -1.259 19749 4526 1 9 . 1 1 14 14 TYR N N 14 123.200 123.200 123.577 -0.377 19749 4527 1 9 . 1 1 14 14 TYR HA H 14 5.570 5.570 4.574 0.996 19749 4528 1 9 . 1 1 14 14 TYR C C 14 174.700 174.700 174.593 0.107 19749 4529 1 9 . 1 1 14 14 TYR CA C 14 56.000 56.000 58.270 -2.270 19749 4530 1 9 . 1 1 14 14 TYR CB C 14 37.900 37.900 38.291 -0.391 19749 4531 1 9 . 1 1 14 14 TYR H H 14 7.430 7.430 7.225 0.205 19749 4532 1 9 . 1 1 15 15 HIS N N 15 126.900 126.900 127.248 -0.348 19749 4533 1 9 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.612 -0.062 19749 4534 1 9 . 1 1 15 15 HIS C C 15 173.300 173.300 173.733 -0.433 19749 4535 1 9 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.615 -1.516 19749 4536 1 9 . 1 1 15 15 HIS CB C 15 30.400 30.400 33.544 -3.144 19749 4537 1 9 . 1 1 15 15 HIS H H 15 8.680 8.680 8.593 0.087 19749 4538 1 9 . 1 1 16 16 ARG N N 16 122.500 122.500 123.330 -0.830 19749 4539 1 9 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.090 -0.140 19749 4540 1 9 . 1 1 16 16 ARG C C 16 176.100 176.100 176.002 0.098 19749 4541 1 9 . 1 1 16 16 ARG CA C 16 57.300 57.300 56.427 0.873 19749 4542 1 9 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.612 -0.512 19749 4543 1 9 . 1 1 16 16 ARG H H 16 7.740 7.740 8.252 -0.512 19749 4544 1 9 . 1 1 17 17 ASP N N 17 119.100 119.100 123.223 -4.123 19749 4545 1 9 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.439 0.081 19749 4546 1 9 . 1 1 17 17 ASP C C 17 174.900 174.900 177.385 -2.485 19749 4547 1 9 . 1 1 17 17 ASP CA C 17 54.800 54.800 55.137 -0.337 19749 4548 1 9 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.306 -0.406 19749 4549 1 9 . 1 1 17 17 ASP H H 17 8.900 8.900 8.546 0.354 19749 4550 1 9 . 1 1 18 18 LEU N N 18 121.000 121.000 121.115 -0.115 19749 4551 1 9 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.296 0.214 19749 4552 1 9 . 1 1 18 18 LEU C C 18 176.300 176.300 177.106 -0.806 19749 4553 1 9 . 1 1 18 18 LEU CA C 18 54.500 54.500 55.468 -0.968 19749 4554 1 9 . 1 1 18 18 LEU CB C 18 44.800 44.800 42.261 2.539 19749 4555 1 9 . 1 1 18 18 LEU H H 18 7.280 7.280 7.783 -0.503 19749 4556 1 9 . 1 1 19 19 SER N N 19 123.400 123.400 111.145 12.255 19749 4557 1 9 . 1 1 19 19 SER HA H 19 4.440 4.440 4.347 0.093 19749 4558 1 9 . 1 1 19 19 SER C C 19 173.900 173.900 175.137 -1.237 19749 4559 1 9 . 1 1 19 19 SER CA C 19 57.700 57.700 57.567 0.133 19749 4560 1 9 . 1 1 19 19 SER CB C 19 65.200 65.200 63.568 1.633 19749 4561 1 9 . 1 1 19 19 SER H H 19 8.650 8.650 7.561 1.089 19749 4562 1 9 . 1 1 20 20 ARG N N 20 121.700 121.700 126.005 -4.305 19749 4563 1 9 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.062 -0.352 19749 4564 1 9 . 1 1 20 20 ARG C C 20 178.200 178.200 177.797 0.403 19749 4565 1 9 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.418 1.182 19749 4566 1 9 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.309 -0.209 19749 4567 1 9 . 1 1 20 20 ARG H H 20 8.970 8.970 8.875 0.095 19749 4568 1 9 . 1 1 21 21 ALA N N 21 119.900 119.900 121.102 -1.202 19749 4569 1 9 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.061 -0.021 19749 4570 1 9 . 1 1 21 21 ALA C C 21 180.600 180.600 179.073 1.527 19749 4571 1 9 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.158 0.042 19749 4572 1 9 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.108 0.192 19749 4573 1 9 . 1 1 21 21 ALA H H 21 8.670 8.670 8.339 0.331 19749 4574 1 9 . 1 1 22 22 ALA N N 22 121.000 121.000 120.018 0.982 19749 4575 1 9 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.132 -0.002 19749 4576 1 9 . 1 1 22 22 ALA C C 22 180.900 180.900 179.486 1.414 19749 4577 1 9 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.163 0.537 19749 4578 1 9 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.243 0.757 19749 4579 1 9 . 1 1 22 22 ALA H H 22 7.890 7.890 8.122 -0.232 19749 4580 1 9 . 1 1 23 23 ALA N N 23 121.700 121.700 123.320 -1.620 19749 4581 1 9 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.915 -0.035 19749 4582 1 9 . 1 1 23 23 ALA C C 23 178.700 178.700 179.365 -0.665 19749 4583 1 9 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.102 -0.002 19749 4584 1 9 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.430 0.770 19749 4585 1 9 . 1 1 23 23 ALA H H 23 8.570 8.570 8.098 0.472 19749 4586 1 9 . 1 1 24 24 GLU N N 24 116.500 116.500 118.387 -1.887 19749 4587 1 9 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.889 -0.129 19749 4588 1 9 . 1 1 24 24 GLU C C 24 178.900 178.900 179.139 -0.239 19749 4589 1 9 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.649 0.851 19749 4590 1 9 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.419 -0.919 19749 4591 1 9 . 1 1 24 24 GLU H H 24 8.200 8.200 8.197 0.003 19749 4592 1 9 . 1 1 25 25 GLU N N 25 120.000 120.000 119.702 0.298 19749 4593 1 9 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.100 -0.040 19749 4594 1 9 . 1 1 25 25 GLU C C 25 178.400 178.400 178.928 -0.528 19749 4595 1 9 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.996 0.404 19749 4596 1 9 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.797 -0.297 19749 4597 1 9 . 1 1 25 25 GLU H H 25 7.690 7.690 7.624 0.066 19749 4598 1 9 . 1 1 26 26 LEU N N 26 120.200 120.200 121.499 -1.299 19749 4599 1 9 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.020 -0.110 19749 4600 1 9 . 1 1 26 26 LEU C C 26 180.200 180.200 178.676 1.524 19749 4601 1 9 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.808 0.392 19749 4602 1 9 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.757 0.643 19749 4603 1 9 . 1 1 26 26 LEU H H 26 7.840 7.840 7.863 -0.023 19749 4604 1 9 . 1 1 27 27 LEU N N 27 117.800 117.800 118.892 -1.092 19749 4605 1 9 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.903 0.077 19749 4606 1 9 . 1 1 27 27 LEU C C 27 177.800 177.800 178.993 -1.193 19749 4607 1 9 . 1 1 27 27 LEU CA C 27 57.600 57.600 58.089 -0.489 19749 4608 1 9 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.194 0.706 19749 4609 1 9 . 1 1 27 27 LEU H H 27 7.960 7.960 8.273 -0.313 19749 4610 1 9 . 1 1 28 28 ALA N N 28 120.600 120.600 120.859 -0.259 19749 4611 1 9 . 1 1 28 28 ALA HA H 28 3.900 3.900 3.957 -0.057 19749 4612 1 9 . 1 1 28 28 ALA C C 28 180.900 180.900 179.127 1.773 19749 4613 1 9 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.975 0.225 19749 4614 1 9 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.209 -0.309 19749 4615 1 9 . 1 1 28 28 ALA H H 28 8.160 8.160 7.934 0.226 19749 4616 1 9 . 1 1 29 29 ARG N N 29 116.200 116.200 117.802 -1.602 19749 4617 1 9 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.160 -0.200 19749 4618 1 9 . 1 1 29 29 ARG C C 29 178.000 178.000 178.181 -0.181 19749 4619 1 9 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.323 0.277 19749 4620 1 9 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.817 -0.517 19749 4621 1 9 . 1 1 29 29 ARG H H 29 7.760 7.760 7.911 -0.151 19749 4622 1 9 . 1 1 30 30 ALA N N 30 123.200 123.200 119.706 3.494 19749 4623 1 9 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.335 -0.135 19749 4624 1 9 . 1 1 30 30 ALA C C 30 182.000 182.000 178.744 3.256 19749 4625 1 9 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.768 1.132 19749 4626 1 9 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.336 -0.636 19749 4627 1 9 . 1 1 30 30 ALA H H 30 7.580 7.580 8.067 -0.487 19749 4628 1 9 . 1 1 31 31 GLY N N 31 102.400 102.400 106.125 -3.725 19749 4629 1 9 . 1 1 31 31 GLY C C 31 174.800 174.800 174.859 -0.059 19749 4630 1 9 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.823 3.277 19749 4631 1 9 . 1 1 31 31 GLY H H 31 7.690 7.690 7.859 -0.169 19749 4632 1 9 . 1 1 32 32 ARG N N 32 121.100 121.100 119.829 1.271 19749 4633 1 9 . 1 1 32 32 ARG HA H 32 4.460 4.460 3.900 0.560 19749 4634 1 9 . 1 1 32 32 ARG C C 32 176.500 176.500 173.748 2.752 19749 4635 1 9 . 1 1 32 32 ARG CA C 32 55.400 55.400 56.994 -1.594 19749 4636 1 9 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.188 3.412 19749 4637 1 9 . 1 1 32 32 ARG H H 32 7.040 7.040 8.189 -1.149 19749 4638 1 9 . 1 1 33 33 ASP N N 33 126.100 126.100 117.871 8.229 19749 4639 1 9 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.376 0.394 19749 4640 1 9 . 1 1 33 33 ASP C C 33 176.800 176.800 175.895 0.905 19749 4641 1 9 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.436 1.564 19749 4642 1 9 . 1 1 33 33 ASP CB C 33 41.000 41.000 41.578 -0.578 19749 4643 1 9 . 1 1 33 33 ASP H H 33 9.110 9.110 7.978 1.132 19749 4644 1 9 . 1 1 34 34 GLY N N 34 109.400 109.400 113.437 -4.037 19749 4645 1 9 . 1 1 34 34 GLY C C 34 175.800 175.800 174.559 1.241 19749 4646 1 9 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.961 0.039 19749 4647 1 9 . 1 1 34 34 GLY H H 34 9.440 9.440 8.683 0.757 19749 4648 1 9 . 1 1 35 35 SER N N 35 120.400 120.400 117.428 2.972 19749 4649 1 9 . 1 1 35 35 SER HA H 35 5.990 5.990 5.473 0.517 19749 4650 1 9 . 1 1 35 35 SER C C 35 173.400 173.400 174.029 -0.629 19749 4651 1 9 . 1 1 35 35 SER CA C 35 59.800 59.800 58.164 1.636 19749 4652 1 9 . 1 1 35 35 SER CB C 35 63.700 63.700 63.447 0.253 19749 4653 1 9 . 1 1 35 35 SER H H 35 8.050 8.050 7.742 0.308 19749 4654 1 9 . 1 1 36 36 PHE N N 36 122.000 122.000 122.201 -0.201 19749 4655 1 9 . 1 1 36 36 PHE HA H 36 6.040 6.040 6.118 -0.078 19749 4656 1 9 . 1 1 36 36 PHE C C 36 170.900 170.900 173.323 -2.423 19749 4657 1 9 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.309 0.992 19749 4658 1 9 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.149 1.251 19749 4659 1 9 . 1 1 36 36 PHE H H 36 8.730 8.730 8.959 -0.229 19749 4660 1 9 . 1 1 37 37 LEU N N 37 112.500 112.500 115.123 -2.623 19749 4661 1 9 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.154 -0.104 19749 4662 1 9 . 1 1 37 37 LEU C C 37 175.100 175.100 174.602 0.498 19749 4663 1 9 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.313 0.187 19749 4664 1 9 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.382 -0.182 19749 4665 1 9 . 1 1 37 37 LEU H H 37 9.000 9.000 8.677 0.323 19749 4666 1 9 . 1 1 38 38 VAL N N 38 120.200 120.200 119.842 0.358 19749 4667 1 9 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.386 0.094 19749 4668 1 9 . 1 1 38 38 VAL C C 38 173.600 173.600 175.200 -1.600 19749 4669 1 9 . 1 1 38 38 VAL CA C 38 61.200 61.200 61.357 -0.157 19749 4670 1 9 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.809 0.391 19749 4671 1 9 . 1 1 38 38 VAL H H 38 9.830 9.830 8.875 0.955 19749 4672 1 9 . 1 1 39 39 ARG N N 39 124.000 124.000 124.243 -0.243 19749 4673 1 9 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.809 -0.289 19749 4674 1 9 . 1 1 39 39 ARG C C 39 174.700 174.700 174.877 -0.177 19749 4675 1 9 . 1 1 39 39 ARG CA C 39 52.800 52.800 52.640 0.160 19749 4676 1 9 . 1 1 39 39 ARG CB C 39 34.200 34.200 34.075 0.125 19749 4677 1 9 . 1 1 39 39 ARG H H 39 9.240 9.240 9.204 0.036 19749 4678 1 9 . 1 1 40 40 ASP N N 40 122.800 122.800 120.408 2.392 19749 4679 1 9 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.062 -0.112 19749 4680 1 9 . 1 1 40 40 ASP C C 40 176.500 176.500 176.039 0.461 19749 4681 1 9 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.460 2.440 19749 4682 1 9 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.956 -1.056 19749 4683 1 9 . 1 1 40 40 ASP H H 40 9.060 9.060 8.613 0.447 19749 4684 1 9 . 1 1 41 41 SER N N 41 113.600 113.600 123.321 -9.721 19749 4685 1 9 . 1 1 41 41 SER HA H 41 4.200 4.200 4.573 -0.373 19749 4686 1 9 . 1 1 41 41 SER C C 41 175.700 175.700 173.910 1.790 19749 4687 1 9 . 1 1 41 41 SER CA C 41 58.400 58.400 57.630 0.770 19749 4688 1 9 . 1 1 41 41 SER CB C 41 63.900 63.900 63.336 0.564 19749 4689 1 9 . 1 1 41 41 SER H H 41 7.870 7.870 8.587 -0.717 19749 4690 1 9 . 1 1 42 42 GLU N N 42 127.200 127.200 128.020 -0.820 19749 4691 1 9 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.088 0.302 19749 4692 1 9 . 1 1 42 42 GLU C C 42 176.500 176.500 176.027 0.473 19749 4693 1 9 . 1 1 42 42 GLU CA C 42 57.700 57.700 57.720 -0.020 19749 4694 1 9 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.023 0.477 19749 4695 1 9 . 1 1 42 42 GLU H H 42 9.600 9.600 8.495 1.105 19749 4696 1 9 . 1 1 43 43 SER N N 43 113.400 113.400 121.471 -8.071 19749 4697 1 9 . 1 1 43 43 SER HA H 43 4.590 4.590 4.678 -0.088 19749 4698 1 9 . 1 1 43 43 SER C C 43 174.000 174.000 173.408 0.592 19749 4699 1 9 . 1 1 43 43 SER CA C 43 59.400 59.400 58.937 0.463 19749 4700 1 9 . 1 1 43 43 SER CB C 43 65.100 65.100 64.754 0.346 19749 4701 1 9 . 1 1 43 43 SER H H 43 8.110 8.110 8.230 -0.120 19749 4702 1 9 . 1 1 44 44 VAL N N 44 123.200 123.200 118.908 4.292 19749 4703 1 9 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.683 -0.543 19749 4704 1 9 . 1 1 44 44 VAL C C 44 174.800 174.800 176.506 -1.706 19749 4705 1 9 . 1 1 44 44 VAL CA C 44 61.700 61.700 60.722 0.978 19749 4706 1 9 . 1 1 44 44 VAL CB C 44 33.700 33.700 34.638 -0.938 19749 4707 1 9 . 1 1 44 44 VAL H H 44 7.620 7.620 7.797 -0.177 19749 4708 1 9 . 1 1 45 45 ALA N N 45 130.900 130.900 129.980 0.920 19749 4709 1 9 . 1 1 45 45 ALA HA H 45 4.150 4.150 3.995 0.155 19749 4710 1 9 . 1 1 45 45 ALA C C 45 178.700 178.700 177.619 1.081 19749 4711 1 9 . 1 1 45 45 ALA CA C 45 53.700 53.700 54.359 -0.659 19749 4712 1 9 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.692 -0.592 19749 4713 1 9 . 1 1 45 45 ALA H H 45 8.480 8.480 8.770 -0.290 19749 4714 1 9 . 1 1 46 46 GLY N N 46 111.400 111.400 106.927 4.473 19749 4715 1 9 . 1 1 46 46 GLY C C 46 171.700 171.700 172.854 -1.154 19749 4716 1 9 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.591 0.809 19749 4717 1 9 . 1 1 46 46 GLY H H 46 8.600 8.600 8.199 0.401 19749 4718 1 9 . 1 1 47 47 ALA N N 47 117.600 117.600 125.494 -7.894 19749 4719 1 9 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.410 0.470 19749 4720 1 9 . 1 1 47 47 ALA C C 47 177.200 177.200 175.339 1.861 19749 4721 1 9 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.929 -1.129 19749 4722 1 9 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.216 0.484 19749 4723 1 9 . 1 1 47 47 ALA H H 47 7.340 7.340 7.780 -0.440 19749 4724 1 9 . 1 1 48 48 PHE N N 48 117.100 117.100 117.493 -0.393 19749 4725 1 9 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.476 -0.106 19749 4726 1 9 . 1 1 48 48 PHE C C 48 174.100 174.100 175.040 -0.940 19749 4727 1 9 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.269 0.231 19749 4728 1 9 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.491 0.409 19749 4729 1 9 . 1 1 48 48 PHE H H 48 9.160 9.160 8.003 1.157 19749 4730 1 9 . 1 1 49 49 ALA N N 49 125.600 125.600 121.054 4.546 19749 4731 1 9 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.253 -0.063 19749 4732 1 9 . 1 1 49 49 ALA C C 49 174.900 174.900 174.991 -0.091 19749 4733 1 9 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.264 0.936 19749 4734 1 9 . 1 1 49 49 ALA CB C 49 20.400 20.400 23.012 -2.612 19749 4735 1 9 . 1 1 49 49 ALA H H 49 9.630 9.630 9.111 0.519 19749 4736 1 9 . 1 1 50 50 LEU N N 50 127.100 127.100 122.675 4.425 19749 4737 1 9 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.533 -0.463 19749 4738 1 9 . 1 1 50 50 LEU C C 50 174.500 174.500 175.699 -1.199 19749 4739 1 9 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.517 0.483 19749 4740 1 9 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.273 -1.373 19749 4741 1 9 . 1 1 50 50 LEU H H 50 9.350 9.350 8.257 1.093 19749 4742 1 9 . 1 1 51 51 CYS N N 51 127.300 127.300 128.077 -0.777 19749 4743 1 9 . 1 1 51 51 CYS HA H 51 5.410 5.410 4.937 0.473 19749 4744 1 9 . 1 1 51 51 CYS C C 51 173.000 173.000 173.387 -0.387 19749 4745 1 9 . 1 1 51 51 CYS CA C 51 57.200 57.200 58.224 -1.024 19749 4746 1 9 . 1 1 51 51 CYS CB C 51 30.400 30.400 27.729 2.671 19749 4747 1 9 . 1 1 51 51 CYS H H 51 9.300 9.300 9.059 0.241 19749 4748 1 9 . 1 1 52 52 VAL N N 52 123.100 123.100 126.342 -3.242 19749 4749 1 9 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.894 0.266 19749 4750 1 9 . 1 1 52 52 VAL C C 52 173.800 173.800 174.393 -0.593 19749 4751 1 9 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.106 -1.206 19749 4752 1 9 . 1 1 52 52 VAL CB C 52 36.300 36.300 33.711 2.589 19749 4753 1 9 . 1 1 52 52 VAL H H 52 9.460 9.460 9.200 0.260 19749 4754 1 9 . 1 1 53 53 LEU N N 53 130.700 130.700 129.456 1.244 19749 4755 1 9 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.309 -0.329 19749 4756 1 9 . 1 1 53 53 LEU C C 53 175.200 175.200 174.211 0.989 19749 4757 1 9 . 1 1 53 53 LEU CA C 53 54.000 54.000 52.736 1.264 19749 4758 1 9 . 1 1 53 53 LEU CB C 53 45.300 45.300 45.938 -0.638 19749 4759 1 9 . 1 1 53 53 LEU H H 53 9.320 9.320 8.788 0.532 19749 4760 1 9 . 1 1 54 54 TYR N N 54 125.700 125.700 123.633 2.067 19749 4761 1 9 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.570 0.340 19749 4762 1 9 . 1 1 54 54 TYR C C 54 175.400 175.400 173.667 1.733 19749 4763 1 9 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.079 0.621 19749 4764 1 9 . 1 1 54 54 TYR CB C 54 41.700 41.700 41.732 -0.032 19749 4765 1 9 . 1 1 54 54 TYR H H 54 9.260 9.260 8.169 1.091 19749 4766 1 9 . 1 1 55 55 GLN N N 55 129.900 129.900 126.751 3.149 19749 4767 1 9 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.724 -0.024 19749 4768 1 9 . 1 1 55 55 GLN C C 55 175.900 175.900 175.434 0.466 19749 4769 1 9 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.524 0.176 19749 4770 1 9 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.431 -0.831 19749 4771 1 9 . 1 1 55 55 GLN H H 55 9.750 9.750 8.429 1.321 19749 4772 1 9 . 1 1 56 56 LYS N N 56 107.600 107.600 117.684 -10.084 19749 4773 1 9 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.909 -0.469 19749 4774 1 9 . 1 1 56 56 LYS C C 56 174.800 174.800 174.719 0.081 19749 4775 1 9 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.597 0.803 19749 4776 1 9 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.526 -1.726 19749 4777 1 9 . 1 1 56 56 LYS H H 56 8.920 8.920 8.686 0.234 19749 4778 1 9 . 1 1 57 57 HIS N N 57 118.200 118.200 113.555 4.645 19749 4779 1 9 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.865 0.035 19749 4780 1 9 . 1 1 57 57 HIS C C 57 173.400 173.400 173.414 -0.014 19749 4781 1 9 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.183 0.117 19749 4782 1 9 . 1 1 57 57 HIS CB C 57 31.900 31.900 30.584 1.316 19749 4783 1 9 . 1 1 57 57 HIS H H 57 7.980 7.980 7.571 0.409 19749 4784 1 9 . 1 1 58 58 VAL N N 58 124.500 124.500 126.371 -1.871 19749 4785 1 9 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.548 -0.208 19749 4786 1 9 . 1 1 58 58 VAL C C 58 175.700 175.700 175.832 -0.132 19749 4787 1 9 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.784 1.316 19749 4788 1 9 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.885 -0.885 19749 4789 1 9 . 1 1 58 58 VAL H H 58 8.800 8.800 8.625 0.175 19749 4790 1 9 . 1 1 59 59 HIS N N 59 132.200 132.200 128.231 3.969 19749 4791 1 9 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.833 -0.313 19749 4792 1 9 . 1 1 59 59 HIS C C 59 174.100 174.100 173.660 0.440 19749 4793 1 9 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.275 1.425 19749 4794 1 9 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.117 -0.917 19749 4795 1 9 . 1 1 59 59 HIS H H 59 9.830 9.830 9.202 0.628 19749 4796 1 9 . 1 1 60 60 THR N N 60 119.300 119.300 121.335 -2.035 19749 4797 1 9 . 1 1 60 60 THR HA H 60 5.280 5.280 5.228 0.052 19749 4798 1 9 . 1 1 60 60 THR C C 60 173.700 173.700 173.415 0.285 19749 4799 1 9 . 1 1 60 60 THR CA C 60 62.100 62.100 61.362 0.738 19749 4800 1 9 . 1 1 60 60 THR CB C 60 70.300 70.300 70.813 -0.513 19749 4801 1 9 . 1 1 60 60 THR H H 60 8.420 8.420 8.288 0.132 19749 4802 1 9 . 1 1 61 61 TYR N N 61 127.000 127.000 123.454 3.546 19749 4803 1 9 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.644 0.156 19749 4804 1 9 . 1 1 61 61 TYR C C 61 175.000 175.000 174.904 0.096 19749 4805 1 9 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.879 -0.379 19749 4806 1 9 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.967 0.933 19749 4807 1 9 . 1 1 61 61 TYR H H 61 9.810 9.810 8.493 1.317 19749 4808 1 9 . 1 1 62 62 ARG N N 62 124.200 124.200 126.658 -2.458 19749 4809 1 9 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.626 0.084 19749 4810 1 9 . 1 1 62 62 ARG C C 62 175.000 175.000 175.538 -0.538 19749 4811 1 9 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.702 1.198 19749 4812 1 9 . 1 1 62 62 ARG CB C 62 31.500 31.500 30.145 1.355 19749 4813 1 9 . 1 1 62 62 ARG H H 62 9.240 9.240 8.695 0.545 19749 4814 1 9 . 1 1 63 63 ILE N N 63 124.100 124.100 126.768 -2.668 19749 4815 1 9 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.141 0.619 19749 4816 1 9 . 1 1 63 63 ILE C C 63 174.900 174.900 175.035 -0.135 19749 4817 1 9 . 1 1 63 63 ILE CA C 63 60.500 60.500 62.220 -1.720 19749 4818 1 9 . 1 1 63 63 ILE CB C 63 39.600 39.600 37.669 1.931 19749 4819 1 9 . 1 1 63 63 ILE H H 63 8.810 8.810 8.175 0.635 19749 4820 1 9 . 1 1 64 64 LEU N N 64 126.200 126.200 130.555 -4.355 19749 4821 1 9 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.964 0.236 19749 4822 1 9 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.321 0.279 19749 4823 1 9 . 1 1 64 64 LEU CB C 64 44.200 44.200 44.236 -0.036 19749 4824 1 9 . 1 1 64 64 LEU H H 64 8.660 8.660 8.374 0.286 19749 4825 1 9 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.649 0.581 19749 4826 1 9 . 1 1 65 65 PRO C C 65 177.000 177.000 177.699 -0.699 19749 4827 1 9 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.681 -2.181 19749 4828 1 9 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.413 -0.113 19749 4829 1 9 . 1 1 66 66 ASP N N 66 124.500 124.500 116.452 8.048 19749 4830 1 9 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.316 0.584 19749 4831 1 9 . 1 1 66 66 ASP C C 66 177.200 177.200 177.723 -0.523 19749 4832 1 9 . 1 1 66 66 ASP CA C 66 52.600 52.600 55.736 -3.136 19749 4833 1 9 . 1 1 66 66 ASP CB C 66 43.000 43.000 39.481 3.519 19749 4834 1 9 . 1 1 66 66 ASP H H 66 8.650 8.650 8.198 0.452 19749 4835 1 9 . 1 1 67 67 GLY N N 67 108.300 108.300 109.558 -1.258 19749 4836 1 9 . 1 1 67 67 GLY C C 67 174.700 174.700 174.488 0.212 19749 4837 1 9 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.658 0.242 19749 4838 1 9 . 1 1 67 67 GLY H H 67 8.420 8.420 8.238 0.182 19749 4839 1 9 . 1 1 68 68 GLU N N 68 120.300 120.300 116.344 3.956 19749 4840 1 9 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.019 0.321 19749 4841 1 9 . 1 1 68 68 GLU C C 68 176.100 176.100 175.468 0.632 19749 4842 1 9 . 1 1 68 68 GLU CA C 68 56.800 56.800 56.781 0.019 19749 4843 1 9 . 1 1 68 68 GLU CB C 68 30.300 30.300 27.867 2.433 19749 4844 1 9 . 1 1 68 68 GLU H H 68 8.580 8.580 8.312 0.268 19749 4845 1 9 . 1 1 69 69 ASP N N 69 115.000 115.000 118.908 -3.908 19749 4846 1 9 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.510 0.010 19749 4847 1 9 . 1 1 69 69 ASP C C 69 175.500 175.500 174.937 0.563 19749 4848 1 9 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.658 1.242 19749 4849 1 9 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.583 -0.983 19749 4850 1 9 . 1 1 69 69 ASP H H 69 8.360 8.360 8.590 -0.230 19749 4851 1 9 . 1 1 70 70 PHE N N 70 117.200 117.200 117.823 -0.623 19749 4852 1 9 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.118 -0.128 19749 4853 1 9 . 1 1 70 70 PHE C C 70 175.700 175.700 175.099 0.601 19749 4854 1 9 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.006 1.594 19749 4855 1 9 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.362 0.338 19749 4856 1 9 . 1 1 70 70 PHE H H 70 8.120 8.120 7.733 0.387 19749 4857 1 9 . 1 1 71 71 LEU N N 71 120.900 120.900 121.155 -0.255 19749 4858 1 9 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.073 -0.123 19749 4859 1 9 . 1 1 71 71 LEU C C 71 175.900 175.900 175.541 0.359 19749 4860 1 9 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.617 0.283 19749 4861 1 9 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.085 3.615 19749 4862 1 9 . 1 1 71 71 LEU H H 71 9.330 9.330 8.946 0.384 19749 4863 1 9 . 1 1 72 72 ALA N N 72 121.500 121.500 127.216 -5.716 19749 4864 1 9 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.928 0.282 19749 4865 1 9 . 1 1 72 72 ALA C C 72 176.900 176.900 176.465 0.435 19749 4866 1 9 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.400 1.100 19749 4867 1 9 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.979 2.021 19749 4868 1 9 . 1 1 72 72 ALA H H 72 8.670 8.670 8.094 0.576 19749 4869 1 9 . 1 1 73 73 VAL N N 73 122.700 122.700 124.018 -1.318 19749 4870 1 9 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.167 0.413 19749 4871 1 9 . 1 1 73 73 VAL C C 73 175.100 175.100 175.805 -0.705 19749 4872 1 9 . 1 1 73 73 VAL CA C 73 61.800 61.800 62.260 -0.460 19749 4873 1 9 . 1 1 73 73 VAL CB C 73 33.800 33.800 32.101 1.699 19749 4874 1 9 . 1 1 73 73 VAL H H 73 9.310 9.310 8.378 0.932 19749 4875 1 9 . 1 1 74 74 GLN N N 74 128.600 128.600 128.692 -0.092 19749 4876 1 9 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.419 0.291 19749 4877 1 9 . 1 1 74 74 GLN C C 74 175.900 175.900 176.286 -0.386 19749 4878 1 9 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.567 -0.467 19749 4879 1 9 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.174 2.526 19749 4880 1 9 . 1 1 74 74 GLN H H 74 9.090 9.090 9.012 0.078 19749 4881 1 9 . 1 1 75 75 THR N N 75 117.700 117.700 119.334 -1.634 19749 4882 1 9 . 1 1 75 75 THR HA H 75 4.490 4.490 4.339 0.151 19749 4883 1 9 . 1 1 75 75 THR C C 75 174.700 174.700 174.725 -0.025 19749 4884 1 9 . 1 1 75 75 THR CA C 75 62.200 62.200 64.524 -2.324 19749 4885 1 9 . 1 1 75 75 THR CB C 75 69.800 69.800 69.436 0.365 19749 4886 1 9 . 1 1 75 75 THR H H 75 8.510 8.510 8.194 0.316 19749 4887 1 9 . 1 1 76 76 SER N N 76 115.300 115.300 112.793 2.507 19749 4888 1 9 . 1 1 76 76 SER HA H 76 4.540 4.540 4.540 0.000 19749 4889 1 9 . 1 1 76 76 SER C C 76 174.200 174.200 172.805 1.395 19749 4890 1 9 . 1 1 76 76 SER CA C 76 58.600 58.600 58.015 0.585 19749 4891 1 9 . 1 1 76 76 SER CB C 76 64.200 64.200 64.319 -0.119 19749 4892 1 9 . 1 1 76 76 SER H H 76 8.250 8.250 8.017 0.234 19749 4893 1 9 . 1 1 77 77 GLN N N 77 120.500 120.500 126.627 -6.127 19749 4894 1 9 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.341 -0.121 19749 4895 1 9 . 1 1 77 77 GLN C C 77 176.900 176.900 175.845 1.055 19749 4896 1 9 . 1 1 77 77 GLN CA C 77 57.300 57.300 56.788 0.512 19749 4897 1 9 . 1 1 77 77 GLN CB C 77 28.900 28.900 27.144 1.756 19749 4898 1 9 . 1 1 77 77 GLN H H 77 8.510 8.510 8.790 -0.280 19749 4899 1 9 . 1 1 78 78 GLY N N 78 110.300 110.300 112.637 -2.337 19749 4900 1 9 . 1 1 78 78 GLY C C 78 173.800 173.800 173.133 0.667 19749 4901 1 9 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.153 0.347 19749 4902 1 9 . 1 1 78 78 GLY H H 78 8.610 8.610 8.346 0.264 19749 4903 1 9 . 1 1 79 79 VAL N N 79 119.500 119.500 118.920 0.580 19749 4904 1 9 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.659 -0.109 19749 4905 1 9 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.201 1.299 19749 4906 1 9 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.679 0.121 19749 4907 1 9 . 1 1 79 79 VAL H H 79 7.400 7.400 7.674 -0.274 19749 4908 1 9 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.339 0.081 19749 4909 1 9 . 1 1 80 80 PRO C C 80 176.900 176.900 175.796 1.104 19749 4910 1 9 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.525 -0.225 19749 4911 1 9 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.854 0.446 19749 4912 1 9 . 1 1 81 81 VAL N N 81 121.600 121.600 123.330 -1.730 19749 4913 1 9 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.132 -0.092 19749 4914 1 9 . 1 1 81 81 VAL C C 81 175.800 175.800 176.196 -0.396 19749 4915 1 9 . 1 1 81 81 VAL CA C 81 63.000 63.000 61.627 1.373 19749 4916 1 9 . 1 1 81 81 VAL CB C 81 32.800 32.800 33.189 -0.389 19749 4917 1 9 . 1 1 81 81 VAL H H 81 8.390 8.390 8.127 0.263 19749 4918 1 9 . 1 1 82 82 ARG N N 82 125.400 125.400 127.192 -1.792 19749 4919 1 9 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.603 -0.152 19749 4920 1 9 . 1 1 82 82 ARG C C 82 173.900 173.900 174.419 -0.519 19749 4921 1 9 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.370 0.631 19749 4922 1 9 . 1 1 82 82 ARG CB C 82 32.300 32.300 32.100 0.200 19749 4923 1 9 . 1 1 82 82 ARG H H 82 8.170 8.170 8.462 -0.292 19749 4924 1 9 . 1 1 83 83 ARG N N 83 121.200 121.200 121.317 -0.117 19749 4925 1 9 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.295 1.035 19749 4926 1 9 . 1 1 83 83 ARG C C 83 175.600 175.600 174.568 1.032 19749 4927 1 9 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.320 -0.820 19749 4928 1 9 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.368 2.132 19749 4929 1 9 . 1 1 83 83 ARG H H 83 8.060 8.060 8.200 -0.140 19749 4930 1 9 . 1 1 84 84 PHE N N 84 118.600 118.600 120.014 -1.414 19749 4931 1 9 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.943 0.007 19749 4932 1 9 . 1 1 84 84 PHE C C 84 175.200 175.200 175.145 0.055 19749 4933 1 9 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.753 0.347 19749 4934 1 9 . 1 1 84 84 PHE CB C 84 44.500 44.500 43.532 0.968 19749 4935 1 9 . 1 1 84 84 PHE H H 84 9.320 9.320 8.246 1.074 19749 4936 1 9 . 1 1 85 85 GLN N N 85 120.800 120.800 118.200 2.600 19749 4937 1 9 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.497 -0.447 19749 4938 1 9 . 1 1 85 85 GLN C C 85 176.000 176.000 175.350 0.650 19749 4939 1 9 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.166 2.233 19749 4940 1 9 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.076 0.224 19749 4941 1 9 . 1 1 85 85 GLN H H 85 9.660 9.660 8.858 0.802 19749 4942 1 9 . 1 1 86 86 THR N N 86 103.000 103.000 114.557 -11.557 19749 4943 1 9 . 1 1 86 86 THR HA H 86 4.810 4.810 4.531 0.279 19749 4944 1 9 . 1 1 86 86 THR C C 86 174.500 174.500 173.928 0.572 19749 4945 1 9 . 1 1 86 86 THR CA C 86 58.700 58.700 60.344 -1.644 19749 4946 1 9 . 1 1 86 86 THR CB C 86 73.400 73.400 71.253 2.147 19749 4947 1 9 . 1 1 86 86 THR H H 86 7.260 7.260 7.478 -0.218 19749 4948 1 9 . 1 1 87 87 LEU N N 87 122.200 122.200 124.489 -2.289 19749 4949 1 9 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.832 -0.002 19749 4950 1 9 . 1 1 87 87 LEU C C 87 178.600 178.600 178.428 0.172 19749 4951 1 9 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.125 -0.025 19749 4952 1 9 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.325 1.075 19749 4953 1 9 . 1 1 87 87 LEU H H 87 9.150 9.150 8.634 0.516 19749 4954 1 9 . 1 1 88 88 GLY N N 88 105.200 105.200 106.469 -1.269 19749 4955 1 9 . 1 1 88 88 GLY C C 88 176.900 176.900 176.206 0.694 19749 4956 1 9 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.046 0.354 19749 4957 1 9 . 1 1 88 88 GLY H H 88 8.870 8.870 8.558 0.312 19749 4958 1 9 . 1 1 89 89 GLU N N 89 122.000 122.000 121.932 0.068 19749 4959 1 9 . 1 1 89 89 GLU HA H 89 3.930 3.930 3.974 -0.044 19749 4960 1 9 . 1 1 89 89 GLU C C 89 177.600 177.600 178.215 -0.615 19749 4961 1 9 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.731 0.169 19749 4962 1 9 . 1 1 89 89 GLU CB C 89 31.000 31.000 28.913 2.087 19749 4963 1 9 . 1 1 89 89 GLU H H 89 7.670 7.670 7.282 0.388 19749 4964 1 9 . 1 1 90 90 LEU N N 90 122.300 122.300 120.360 1.940 19749 4965 1 9 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.332 0.098 19749 4966 1 9 . 1 1 90 90 LEU C C 90 177.200 177.200 178.372 -1.172 19749 4967 1 9 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.006 1.694 19749 4968 1 9 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.441 0.659 19749 4969 1 9 . 1 1 90 90 LEU H H 90 6.880 6.880 6.869 0.011 19749 4970 1 9 . 1 1 91 91 ILE N N 91 118.800 118.800 116.251 2.549 19749 4971 1 9 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.437 -0.327 19749 4972 1 9 . 1 1 91 91 ILE C C 91 177.700 177.700 178.418 -0.718 19749 4973 1 9 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.731 -1.331 19749 4974 1 9 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.613 -0.213 19749 4975 1 9 . 1 1 91 91 ILE H H 91 7.880 7.880 7.571 0.309 19749 4976 1 9 . 1 1 92 92 GLY N N 92 103.900 103.900 109.179 -5.279 19749 4977 1 9 . 1 1 92 92 GLY C C 92 176.400 176.400 175.717 0.683 19749 4978 1 9 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.054 -0.254 19749 4979 1 9 . 1 1 92 92 GLY H H 92 7.570 7.570 7.761 -0.191 19749 4980 1 9 . 1 1 93 93 LEU N N 93 123.200 123.200 121.009 2.191 19749 4981 1 9 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.175 -0.095 19749 4982 1 9 . 1 1 93 93 LEU C C 93 179.100 179.100 179.571 -0.471 19749 4983 1 9 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.191 0.209 19749 4984 1 9 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.337 -1.537 19749 4985 1 9 . 1 1 93 93 LEU H H 93 7.360 7.360 7.441 -0.081 19749 4986 1 9 . 1 1 94 94 TYR N N 94 114.000 114.000 117.474 -3.474 19749 4987 1 9 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.234 -0.004 19749 4988 1 9 . 1 1 94 94 TYR C C 94 175.600 175.600 177.611 -2.011 19749 4989 1 9 . 1 1 94 94 TYR CA C 94 60.200 60.200 58.991 1.209 19749 4990 1 9 . 1 1 94 94 TYR CB C 94 36.600 36.600 37.294 -0.694 19749 4991 1 9 . 1 1 94 94 TYR H H 94 7.380 7.380 8.198 -0.818 19749 4992 1 9 . 1 1 95 95 ALA N N 95 123.100 123.100 119.400 3.700 19749 4993 1 9 . 1 1 95 95 ALA HA H 95 4.360 4.360 3.978 0.382 19749 4994 1 9 . 1 1 95 95 ALA C C 95 177.300 177.300 177.347 -0.047 19749 4995 1 9 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.608 0.292 19749 4996 1 9 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.735 0.265 19749 4997 1 9 . 1 1 95 95 ALA H H 95 7.330 7.330 7.464 -0.134 19749 4998 1 9 . 1 1 96 96 GLN N N 96 116.500 116.500 117.569 -1.069 19749 4999 1 9 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.706 -0.166 19749 5000 1 9 . 1 1 96 96 GLN CA C 96 53.000 53.000 53.076 -0.076 19749 5001 1 9 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.782 -0.182 19749 5002 1 9 . 1 1 96 96 GLN H H 96 7.620 7.620 7.281 0.339 19749 5003 1 9 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.213 0.027 19749 5004 1 9 . 1 1 97 97 PRO C C 97 176.800 176.800 177.711 -0.911 19749 5005 1 9 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.947 -0.147 19749 5006 1 9 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.222 0.578 19749 5007 1 9 . 1 1 98 98 ASN N N 98 114.900 114.900 117.004 -2.104 19749 5008 1 9 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.337 0.143 19749 5009 1 9 . 1 1 98 98 ASN C C 98 175.100 175.100 174.674 0.426 19749 5010 1 9 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.931 0.369 19749 5011 1 9 . 1 1 98 98 ASN CB C 98 36.900 36.900 36.918 -0.018 19749 5012 1 9 . 1 1 98 98 ASN H H 98 8.960 8.960 8.506 0.454 19749 5013 1 9 . 1 1 99 99 GLN N N 99 115.400 115.400 124.070 -8.670 19749 5014 1 9 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.318 0.182 19749 5015 1 9 . 1 1 99 99 GLN C C 99 176.100 176.100 176.499 -0.399 19749 5016 1 9 . 1 1 99 99 GLN CA C 99 54.300 54.300 56.364 -2.064 19749 5017 1 9 . 1 1 99 99 GLN CB C 99 29.600 29.600 28.962 0.638 19749 5018 1 9 . 1 1 99 99 GLN H H 99 8.610 8.610 8.295 0.315 19749 5019 1 9 . 1 1 100 100 GLY N N 100 107.400 107.400 112.574 -5.174 19749 5020 1 9 . 1 1 100 100 GLY C C 100 174.600 174.600 173.645 0.955 19749 5021 1 9 . 1 1 100 100 GLY CA C 100 45.400 45.400 44.820 0.580 19749 5022 1 9 . 1 1 100 100 GLY H H 100 8.460 8.460 8.676 -0.216 19749 5023 1 9 . 1 1 101 101 LEU N N 101 118.400 118.400 122.904 -4.504 19749 5024 1 9 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.790 -0.410 19749 5025 1 9 . 1 1 101 101 LEU C C 101 178.000 178.000 177.938 0.062 19749 5026 1 9 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.114 -1.214 19749 5027 1 9 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.738 -0.338 19749 5028 1 9 . 1 1 101 101 LEU H H 101 8.020 8.020 7.466 0.554 19749 5029 1 9 . 1 1 102 102 VAL N N 102 114.700 114.700 114.961 -0.261 19749 5030 1 9 . 1 1 102 102 VAL HA H 102 3.590 3.590 4.202 -0.612 19749 5031 1 9 . 1 1 102 102 VAL C C 102 173.600 173.600 175.621 -2.021 19749 5032 1 9 . 1 1 102 102 VAL CA C 102 63.600 63.600 63.310 0.290 19749 5033 1 9 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.784 -1.684 19749 5034 1 9 . 1 1 102 102 VAL H H 102 7.260 7.260 8.734 -1.474 19749 5035 1 9 . 1 1 103 103 CYS N N 103 112.400 112.400 117.029 -4.629 19749 5036 1 9 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.428 -0.188 19749 5037 1 9 . 1 1 103 103 CYS C C 103 170.600 170.600 173.095 -2.495 19749 5038 1 9 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.593 -1.493 19749 5039 1 9 . 1 1 103 103 CYS CB C 103 29.600 29.600 30.645 -1.045 19749 5040 1 9 . 1 1 103 103 CYS H H 103 6.920 6.920 7.627 -0.707 19749 5041 1 9 . 1 1 104 104 ALA N N 104 119.600 119.600 123.249 -3.649 19749 5042 1 9 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.380 -0.170 19749 5043 1 9 . 1 1 104 104 ALA C C 104 176.300 176.300 177.130 -0.830 19749 5044 1 9 . 1 1 104 104 ALA CA C 104 51.600 51.600 51.339 0.261 19749 5045 1 9 . 1 1 104 104 ALA CB C 104 19.400 19.400 20.192 -0.792 19749 5046 1 9 . 1 1 104 104 ALA H H 104 7.840 7.840 8.098 -0.258 19749 5047 1 9 . 1 1 105 105 LEU N N 105 117.100 117.100 120.279 -3.179 19749 5048 1 9 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.797 -0.017 19749 5049 1 9 . 1 1 105 105 LEU C C 105 175.400 175.400 176.464 -1.064 19749 5050 1 9 . 1 1 105 105 LEU CA C 105 53.600 53.600 55.085 -1.485 19749 5051 1 9 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.561 -2.161 19749 5052 1 9 . 1 1 105 105 LEU H H 105 7.610 7.610 8.552 -0.942 19749 5053 1 9 . 1 1 106 106 LEU N N 106 124.700 124.700 127.840 -3.140 19749 5054 1 9 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.515 0.085 19749 5055 1 9 . 1 1 106 106 LEU C C 106 177.600 177.600 177.136 0.464 19749 5056 1 9 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.670 -0.370 19749 5057 1 9 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.084 2.916 19749 5058 1 9 . 1 1 106 106 LEU H H 106 8.160 8.160 8.726 -0.566 19749 5059 1 9 . 1 1 107 107 LEU N N 107 121.400 121.400 120.165 1.235 19749 5060 1 9 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.009 0.101 19749 5061 1 9 . 1 1 107 107 LEU CA C 107 51.700 51.700 51.459 0.242 19749 5062 1 9 . 1 1 107 107 LEU CB C 107 44.600 44.600 44.819 -0.219 19749 5063 1 9 . 1 1 107 107 LEU H H 107 7.930 7.930 8.223 -0.293 19749 5064 1 9 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.261 -0.831 19749 5065 1 9 . 1 1 108 108 PRO C C 108 176.500 176.500 176.363 0.137 19749 5066 1 9 . 1 1 108 108 PRO CA C 108 62.400 62.400 61.839 0.561 19749 5067 1 9 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.703 1.097 19749 5068 1 10 . 1 1 10 10 HIS C C 10 175.000 175.000 174.593 0.407 19749 5069 1 10 . 1 1 10 10 HIS CA C 10 55.900 55.900 56.248 -0.348 19749 5070 1 10 . 1 1 10 10 HIS CB C 10 29.900 29.900 30.656 -0.756 19749 5071 1 10 . 1 1 11 11 MET N N 11 120.400 120.400 124.480 -4.080 19749 5072 1 10 . 1 1 11 11 MET HA H 11 4.000 4.000 4.542 -0.542 19749 5073 1 10 . 1 1 11 11 MET C C 11 177.500 177.500 175.540 1.960 19749 5074 1 10 . 1 1 11 11 MET CA C 11 54.100 54.100 55.304 -1.204 19749 5075 1 10 . 1 1 11 11 MET CB C 11 31.500 31.500 33.337 -1.837 19749 5076 1 10 . 1 1 11 11 MET H H 11 7.800 7.800 8.481 -0.681 19749 5077 1 10 . 1 1 12 12 SER N N 12 118.600 118.600 116.202 2.398 19749 5078 1 10 . 1 1 12 12 SER HA H 12 3.860 3.860 4.128 -0.268 19749 5079 1 10 . 1 1 12 12 SER C C 12 173.900 173.900 174.362 -0.462 19749 5080 1 10 . 1 1 12 12 SER CA C 12 61.200 61.200 57.458 3.743 19749 5081 1 10 . 1 1 12 12 SER CB C 12 62.500 62.500 63.588 -1.088 19749 5082 1 10 . 1 1 12 12 SER H H 12 8.520 8.520 7.636 0.884 19749 5083 1 10 . 1 1 13 13 TRP N N 13 113.400 113.400 115.876 -2.476 19749 5084 1 10 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.552 0.338 19749 5085 1 10 . 1 1 13 13 TRP C C 13 176.000 176.000 173.826 2.174 19749 5086 1 10 . 1 1 13 13 TRP CA C 13 53.800 53.800 55.617 -1.817 19749 5087 1 10 . 1 1 13 13 TRP CB C 13 30.100 30.100 28.439 1.661 19749 5088 1 10 . 1 1 13 13 TRP H H 13 6.180 6.180 7.608 -1.428 19749 5089 1 10 . 1 1 14 14 TYR N N 14 123.200 123.200 121.363 1.837 19749 5090 1 10 . 1 1 14 14 TYR HA H 14 5.570 5.570 4.597 0.973 19749 5091 1 10 . 1 1 14 14 TYR C C 14 174.700 174.700 172.807 1.893 19749 5092 1 10 . 1 1 14 14 TYR CA C 14 56.000 56.000 56.925 -0.925 19749 5093 1 10 . 1 1 14 14 TYR CB C 14 37.900 37.900 40.200 -2.300 19749 5094 1 10 . 1 1 14 14 TYR H H 14 7.430 7.430 6.895 0.535 19749 5095 1 10 . 1 1 15 15 HIS N N 15 126.900 126.900 122.023 4.877 19749 5096 1 10 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.427 0.123 19749 5097 1 10 . 1 1 15 15 HIS C C 15 173.300 173.300 173.749 -0.449 19749 5098 1 10 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.736 -1.637 19749 5099 1 10 . 1 1 15 15 HIS CB C 15 30.400 30.400 33.399 -2.999 19749 5100 1 10 . 1 1 15 15 HIS H H 15 8.680 8.680 8.156 0.524 19749 5101 1 10 . 1 1 16 16 ARG N N 16 122.500 122.500 119.389 3.111 19749 5102 1 10 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.465 -0.515 19749 5103 1 10 . 1 1 16 16 ARG C C 16 176.100 176.100 174.944 1.156 19749 5104 1 10 . 1 1 16 16 ARG CA C 16 57.300 57.300 55.460 1.840 19749 5105 1 10 . 1 1 16 16 ARG CB C 16 30.100 30.100 32.099 -1.999 19749 5106 1 10 . 1 1 16 16 ARG H H 16 7.740 7.740 8.464 -0.724 19749 5107 1 10 . 1 1 17 17 ASP N N 17 119.100 119.100 115.864 3.236 19749 5108 1 10 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.315 0.205 19749 5109 1 10 . 1 1 17 17 ASP C C 17 174.900 174.900 174.508 0.392 19749 5110 1 10 . 1 1 17 17 ASP CA C 17 54.800 54.800 55.472 -0.672 19749 5111 1 10 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.569 -0.669 19749 5112 1 10 . 1 1 17 17 ASP H H 17 8.900 8.900 8.652 0.248 19749 5113 1 10 . 1 1 18 18 LEU N N 18 121.000 121.000 121.942 -0.942 19749 5114 1 10 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.664 -0.154 19749 5115 1 10 . 1 1 18 18 LEU C C 18 176.300 176.300 175.437 0.863 19749 5116 1 10 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.070 0.430 19749 5117 1 10 . 1 1 18 18 LEU CB C 18 44.800 44.800 43.241 1.559 19749 5118 1 10 . 1 1 18 18 LEU H H 18 7.280 7.280 7.716 -0.436 19749 5119 1 10 . 1 1 19 19 SER N N 19 123.400 123.400 121.615 1.785 19749 5120 1 10 . 1 1 19 19 SER HA H 19 4.440 4.440 4.725 -0.285 19749 5121 1 10 . 1 1 19 19 SER C C 19 173.900 173.900 174.974 -1.074 19749 5122 1 10 . 1 1 19 19 SER CA C 19 57.700 57.700 58.264 -0.564 19749 5123 1 10 . 1 1 19 19 SER CB C 19 65.200 65.200 64.499 0.701 19749 5124 1 10 . 1 1 19 19 SER H H 19 8.650 8.650 8.808 -0.158 19749 5125 1 10 . 1 1 20 20 ARG N N 20 121.700 121.700 122.696 -0.996 19749 5126 1 10 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.996 -0.286 19749 5127 1 10 . 1 1 20 20 ARG C C 20 178.200 178.200 178.114 0.086 19749 5128 1 10 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.462 1.138 19749 5129 1 10 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.042 0.058 19749 5130 1 10 . 1 1 20 20 ARG H H 20 8.970 8.970 8.664 0.306 19749 5131 1 10 . 1 1 21 21 ALA N N 21 119.900 119.900 121.251 -1.351 19749 5132 1 10 . 1 1 21 21 ALA HA H 21 4.040 4.040 3.928 0.112 19749 5133 1 10 . 1 1 21 21 ALA C C 21 180.600 180.600 178.905 1.695 19749 5134 1 10 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.237 -0.037 19749 5135 1 10 . 1 1 21 21 ALA CB C 21 18.300 18.300 17.894 0.406 19749 5136 1 10 . 1 1 21 21 ALA H H 21 8.670 8.670 8.654 0.016 19749 5137 1 10 . 1 1 22 22 ALA N N 22 121.000 121.000 120.278 0.722 19749 5138 1 10 . 1 1 22 22 ALA HA H 22 4.130 4.130 3.977 0.153 19749 5139 1 10 . 1 1 22 22 ALA C C 22 180.900 180.900 179.112 1.788 19749 5140 1 10 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.378 0.322 19749 5141 1 10 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.130 0.870 19749 5142 1 10 . 1 1 22 22 ALA H H 22 7.890 7.890 8.056 -0.166 19749 5143 1 10 . 1 1 23 23 ALA N N 23 121.700 121.700 121.649 0.051 19749 5144 1 10 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.039 -0.159 19749 5145 1 10 . 1 1 23 23 ALA C C 23 178.700 178.700 179.794 -1.094 19749 5146 1 10 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.176 -0.076 19749 5147 1 10 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.523 0.677 19749 5148 1 10 . 1 1 23 23 ALA H H 23 8.570 8.570 8.038 0.532 19749 5149 1 10 . 1 1 24 24 GLU N N 24 116.500 116.500 118.207 -1.707 19749 5150 1 10 . 1 1 24 24 GLU HA H 24 3.760 3.760 4.091 -0.331 19749 5151 1 10 . 1 1 24 24 GLU C C 24 178.900 178.900 179.048 -0.148 19749 5152 1 10 . 1 1 24 24 GLU CA C 24 60.500 60.500 58.844 1.656 19749 5153 1 10 . 1 1 24 24 GLU CB C 24 28.500 28.500 28.765 -0.265 19749 5154 1 10 . 1 1 24 24 GLU H H 24 8.200 8.200 7.990 0.210 19749 5155 1 10 . 1 1 25 25 GLU N N 25 120.000 120.000 121.155 -1.155 19749 5156 1 10 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.049 0.011 19749 5157 1 10 . 1 1 25 25 GLU C C 25 178.400 178.400 178.907 -0.507 19749 5158 1 10 . 1 1 25 25 GLU CA C 25 59.400 59.400 59.132 0.268 19749 5159 1 10 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.639 -0.139 19749 5160 1 10 . 1 1 25 25 GLU H H 25 7.690 7.690 7.708 -0.018 19749 5161 1 10 . 1 1 26 26 LEU N N 26 120.200 120.200 119.284 0.916 19749 5162 1 10 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.067 -0.157 19749 5163 1 10 . 1 1 26 26 LEU C C 26 180.200 180.200 179.590 0.610 19749 5164 1 10 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.456 0.744 19749 5165 1 10 . 1 1 26 26 LEU CB C 26 42.400 42.400 40.961 1.439 19749 5166 1 10 . 1 1 26 26 LEU H H 26 7.840 7.840 8.060 -0.221 19749 5167 1 10 . 1 1 27 27 LEU N N 27 117.800 117.800 118.785 -0.985 19749 5168 1 10 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.990 -0.010 19749 5169 1 10 . 1 1 27 27 LEU C C 27 177.800 177.800 178.363 -0.563 19749 5170 1 10 . 1 1 27 27 LEU CA C 27 57.600 57.600 58.194 -0.594 19749 5171 1 10 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.262 0.638 19749 5172 1 10 . 1 1 27 27 LEU H H 27 7.960 7.960 7.779 0.181 19749 5173 1 10 . 1 1 28 28 ALA N N 28 120.600 120.600 120.144 0.456 19749 5174 1 10 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.490 -0.590 19749 5175 1 10 . 1 1 28 28 ALA C C 28 180.900 180.900 179.698 1.202 19749 5176 1 10 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.074 1.126 19749 5177 1 10 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.559 -0.659 19749 5178 1 10 . 1 1 28 28 ALA H H 28 8.160 8.160 7.479 0.681 19749 5179 1 10 . 1 1 29 29 ARG N N 29 116.200 116.200 118.340 -2.140 19749 5180 1 10 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.144 -0.184 19749 5181 1 10 . 1 1 29 29 ARG C C 29 178.000 178.000 178.233 -0.233 19749 5182 1 10 . 1 1 29 29 ARG CA C 29 58.600 58.600 57.920 0.679 19749 5183 1 10 . 1 1 29 29 ARG CB C 29 30.300 30.300 29.761 0.539 19749 5184 1 10 . 1 1 29 29 ARG H H 29 7.760 7.760 8.555 -0.795 19749 5185 1 10 . 1 1 30 30 ALA N N 30 123.200 123.200 120.682 2.518 19749 5186 1 10 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.437 -0.237 19749 5187 1 10 . 1 1 30 30 ALA C C 30 182.000 182.000 177.648 4.352 19749 5188 1 10 . 1 1 30 30 ALA CA C 30 54.900 54.900 52.552 2.348 19749 5189 1 10 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.728 -1.028 19749 5190 1 10 . 1 1 30 30 ALA H H 30 7.580 7.580 7.976 -0.396 19749 5191 1 10 . 1 1 31 31 GLY N N 31 102.400 102.400 105.680 -3.280 19749 5192 1 10 . 1 1 31 31 GLY C C 31 174.800 174.800 171.959 2.841 19749 5193 1 10 . 1 1 31 31 GLY CA C 31 48.100 48.100 45.127 2.973 19749 5194 1 10 . 1 1 31 31 GLY H H 31 7.690 7.690 8.140 -0.450 19749 5195 1 10 . 1 1 32 32 ARG N N 32 121.100 121.100 117.851 3.249 19749 5196 1 10 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.412 0.048 19749 5197 1 10 . 1 1 32 32 ARG C C 32 176.500 176.500 173.803 2.697 19749 5198 1 10 . 1 1 32 32 ARG CA C 32 55.400 55.400 56.044 -0.644 19749 5199 1 10 . 1 1 32 32 ARG CB C 32 32.600 32.600 31.511 1.089 19749 5200 1 10 . 1 1 32 32 ARG H H 32 7.040 7.040 7.838 -0.798 19749 5201 1 10 . 1 1 33 33 ASP N N 33 126.100 126.100 122.569 3.531 19749 5202 1 10 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.732 0.038 19749 5203 1 10 . 1 1 33 33 ASP C C 33 176.800 176.800 176.449 0.351 19749 5204 1 10 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.852 1.148 19749 5205 1 10 . 1 1 33 33 ASP CB C 33 41.000 41.000 40.368 0.632 19749 5206 1 10 . 1 1 33 33 ASP H H 33 9.110 9.110 8.747 0.363 19749 5207 1 10 . 1 1 34 34 GLY N N 34 109.400 109.400 108.806 0.594 19749 5208 1 10 . 1 1 34 34 GLY C C 34 175.800 175.800 174.676 1.124 19749 5209 1 10 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.475 0.525 19749 5210 1 10 . 1 1 34 34 GLY H H 34 9.440 9.440 8.805 0.635 19749 5211 1 10 . 1 1 35 35 SER N N 35 120.400 120.400 117.865 2.535 19749 5212 1 10 . 1 1 35 35 SER HA H 35 5.990 5.990 5.491 0.499 19749 5213 1 10 . 1 1 35 35 SER C C 35 173.400 173.400 173.917 -0.517 19749 5214 1 10 . 1 1 35 35 SER CA C 35 59.800 59.800 59.550 0.250 19749 5215 1 10 . 1 1 35 35 SER CB C 35 63.700 63.700 63.831 -0.131 19749 5216 1 10 . 1 1 35 35 SER H H 35 8.050 8.050 7.704 0.346 19749 5217 1 10 . 1 1 36 36 PHE N N 36 122.000 122.000 121.428 0.572 19749 5218 1 10 . 1 1 36 36 PHE HA H 36 6.040 6.040 6.021 0.019 19749 5219 1 10 . 1 1 36 36 PHE C C 36 170.900 170.900 173.298 -2.398 19749 5220 1 10 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.287 1.013 19749 5221 1 10 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.824 1.576 19749 5222 1 10 . 1 1 36 36 PHE H H 36 8.730 8.730 8.413 0.317 19749 5223 1 10 . 1 1 37 37 LEU N N 37 112.500 112.500 115.086 -2.586 19749 5224 1 10 . 1 1 37 37 LEU HA H 37 5.050 5.050 4.980 0.070 19749 5225 1 10 . 1 1 37 37 LEU C C 37 175.100 175.100 174.786 0.314 19749 5226 1 10 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.263 0.237 19749 5227 1 10 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.420 -0.220 19749 5228 1 10 . 1 1 37 37 LEU H H 37 9.000 9.000 8.654 0.346 19749 5229 1 10 . 1 1 38 38 VAL N N 38 120.200 120.200 118.582 1.618 19749 5230 1 10 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.411 0.069 19749 5231 1 10 . 1 1 38 38 VAL C C 38 173.600 173.600 175.648 -2.048 19749 5232 1 10 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.535 0.665 19749 5233 1 10 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.784 0.416 19749 5234 1 10 . 1 1 38 38 VAL H H 38 9.830 9.830 8.744 1.086 19749 5235 1 10 . 1 1 39 39 ARG N N 39 124.000 124.000 122.674 1.326 19749 5236 1 10 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.085 0.435 19749 5237 1 10 . 1 1 39 39 ARG C C 39 174.700 174.700 174.248 0.452 19749 5238 1 10 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.849 -1.049 19749 5239 1 10 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.579 0.621 19749 5240 1 10 . 1 1 39 39 ARG H H 39 9.240 9.240 9.215 0.025 19749 5241 1 10 . 1 1 40 40 ASP N N 40 122.800 122.800 120.249 2.551 19749 5242 1 10 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.091 -0.141 19749 5243 1 10 . 1 1 40 40 ASP C C 40 176.500 176.500 176.659 -0.159 19749 5244 1 10 . 1 1 40 40 ASP CA C 40 55.900 55.900 54.145 1.756 19749 5245 1 10 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.858 -0.958 19749 5246 1 10 . 1 1 40 40 ASP H H 40 9.060 9.060 8.661 0.399 19749 5247 1 10 . 1 1 41 41 SER N N 41 113.600 113.600 120.778 -7.178 19749 5248 1 10 . 1 1 41 41 SER HA H 41 4.200 4.200 4.468 -0.268 19749 5249 1 10 . 1 1 41 41 SER C C 41 175.700 175.700 174.651 1.049 19749 5250 1 10 . 1 1 41 41 SER CA C 41 58.400 58.400 58.495 -0.095 19749 5251 1 10 . 1 1 41 41 SER CB C 41 63.900 63.900 64.906 -1.006 19749 5252 1 10 . 1 1 41 41 SER H H 41 7.870 7.870 8.254 -0.384 19749 5253 1 10 . 1 1 42 42 GLU N N 42 127.200 127.200 118.535 8.665 19749 5254 1 10 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.462 -0.072 19749 5255 1 10 . 1 1 42 42 GLU C C 42 176.500 176.500 176.983 -0.483 19749 5256 1 10 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.542 1.158 19749 5257 1 10 . 1 1 42 42 GLU CB C 42 29.500 29.500 30.100 -0.600 19749 5258 1 10 . 1 1 42 42 GLU H H 42 9.600 9.600 8.617 0.983 19749 5259 1 10 . 1 1 43 43 SER N N 43 113.400 113.400 116.221 -2.821 19749 5260 1 10 . 1 1 43 43 SER HA H 43 4.590 4.590 4.360 0.230 19749 5261 1 10 . 1 1 43 43 SER C C 43 174.000 174.000 174.356 -0.356 19749 5262 1 10 . 1 1 43 43 SER CA C 43 59.400 59.400 59.888 -0.488 19749 5263 1 10 . 1 1 43 43 SER CB C 43 65.100 65.100 63.525 1.575 19749 5264 1 10 . 1 1 43 43 SER H H 43 8.110 8.110 8.186 -0.076 19749 5265 1 10 . 1 1 44 44 VAL N N 44 123.200 123.200 119.320 3.880 19749 5266 1 10 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.191 -0.051 19749 5267 1 10 . 1 1 44 44 VAL C C 44 174.800 174.800 173.947 0.853 19749 5268 1 10 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.499 0.201 19749 5269 1 10 . 1 1 44 44 VAL CB C 44 33.700 33.700 34.666 -0.966 19749 5270 1 10 . 1 1 44 44 VAL H H 44 7.620 7.620 7.300 0.320 19749 5271 1 10 . 1 1 45 45 ALA N N 45 130.900 130.900 131.719 -0.819 19749 5272 1 10 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.310 -0.160 19749 5273 1 10 . 1 1 45 45 ALA C C 45 178.700 178.700 178.245 0.455 19749 5274 1 10 . 1 1 45 45 ALA CA C 45 53.700 53.700 53.294 0.406 19749 5275 1 10 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.868 -0.768 19749 5276 1 10 . 1 1 45 45 ALA H H 45 8.480 8.480 8.404 0.076 19749 5277 1 10 . 1 1 46 46 GLY N N 46 111.400 111.400 109.941 1.459 19749 5278 1 10 . 1 1 46 46 GLY C C 46 171.700 171.700 173.669 -1.969 19749 5279 1 10 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.706 0.694 19749 5280 1 10 . 1 1 46 46 GLY H H 46 8.600 8.600 8.496 0.104 19749 5281 1 10 . 1 1 47 47 ALA N N 47 117.600 117.600 122.164 -4.564 19749 5282 1 10 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.181 0.699 19749 5283 1 10 . 1 1 47 47 ALA C C 47 177.200 177.200 175.137 2.063 19749 5284 1 10 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.624 -0.824 19749 5285 1 10 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.176 0.524 19749 5286 1 10 . 1 1 47 47 ALA H H 47 7.340 7.340 7.245 0.095 19749 5287 1 10 . 1 1 48 48 PHE N N 48 117.100 117.100 116.702 0.398 19749 5288 1 10 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.468 -0.098 19749 5289 1 10 . 1 1 48 48 PHE C C 48 174.100 174.100 174.304 -0.204 19749 5290 1 10 . 1 1 48 48 PHE CA C 48 56.500 56.500 55.981 0.519 19749 5291 1 10 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.329 0.571 19749 5292 1 10 . 1 1 48 48 PHE H H 48 9.160 9.160 8.046 1.114 19749 5293 1 10 . 1 1 49 49 ALA N N 49 125.600 125.600 120.071 5.529 19749 5294 1 10 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.256 -0.066 19749 5295 1 10 . 1 1 49 49 ALA C C 49 174.900 174.900 175.059 -0.159 19749 5296 1 10 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.371 0.829 19749 5297 1 10 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.814 -2.414 19749 5298 1 10 . 1 1 49 49 ALA H H 49 9.630 9.630 8.790 0.840 19749 5299 1 10 . 1 1 50 50 LEU N N 50 127.100 127.100 123.165 3.935 19749 5300 1 10 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.415 -0.345 19749 5301 1 10 . 1 1 50 50 LEU C C 50 174.500 174.500 175.325 -0.825 19749 5302 1 10 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.854 0.146 19749 5303 1 10 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.428 -1.528 19749 5304 1 10 . 1 1 50 50 LEU H H 50 9.350 9.350 8.596 0.754 19749 5305 1 10 . 1 1 51 51 CYS N N 51 127.300 127.300 128.519 -1.219 19749 5306 1 10 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.032 0.378 19749 5307 1 10 . 1 1 51 51 CYS C C 51 173.000 173.000 172.880 0.120 19749 5308 1 10 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.971 0.229 19749 5309 1 10 . 1 1 51 51 CYS CB C 51 30.400 30.400 29.030 1.370 19749 5310 1 10 . 1 1 51 51 CYS H H 51 9.300 9.300 9.142 0.158 19749 5311 1 10 . 1 1 52 52 VAL N N 52 123.100 123.100 129.432 -6.332 19749 5312 1 10 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.212 -0.052 19749 5313 1 10 . 1 1 52 52 VAL C C 52 173.800 173.800 174.432 -0.632 19749 5314 1 10 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.435 -1.535 19749 5315 1 10 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.257 2.043 19749 5316 1 10 . 1 1 52 52 VAL H H 52 9.460 9.460 8.884 0.576 19749 5317 1 10 . 1 1 53 53 LEU N N 53 130.700 130.700 130.024 0.676 19749 5318 1 10 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.154 -0.174 19749 5319 1 10 . 1 1 53 53 LEU C C 53 175.200 175.200 174.589 0.611 19749 5320 1 10 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.378 0.622 19749 5321 1 10 . 1 1 53 53 LEU CB C 53 45.300 45.300 44.206 1.094 19749 5322 1 10 . 1 1 53 53 LEU H H 53 9.320 9.320 8.985 0.335 19749 5323 1 10 . 1 1 54 54 TYR N N 54 125.700 125.700 126.060 -0.360 19749 5324 1 10 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.775 0.135 19749 5325 1 10 . 1 1 54 54 TYR C C 54 175.400 175.400 174.401 0.999 19749 5326 1 10 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.974 0.726 19749 5327 1 10 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.848 0.852 19749 5328 1 10 . 1 1 54 54 TYR H H 54 9.260 9.260 8.635 0.625 19749 5329 1 10 . 1 1 55 55 GLN N N 55 129.900 129.900 128.040 1.860 19749 5330 1 10 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.808 -0.108 19749 5331 1 10 . 1 1 55 55 GLN C C 55 175.900 175.900 175.159 0.741 19749 5332 1 10 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.746 -0.046 19749 5333 1 10 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.017 -0.417 19749 5334 1 10 . 1 1 55 55 GLN H H 55 9.750 9.750 9.115 0.635 19749 5335 1 10 . 1 1 56 56 LYS N N 56 107.600 107.600 113.416 -5.816 19749 5336 1 10 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.794 -0.354 19749 5337 1 10 . 1 1 56 56 LYS C C 56 174.800 174.800 174.995 -0.195 19749 5338 1 10 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.200 1.200 19749 5339 1 10 . 1 1 56 56 LYS CB C 56 29.800 29.800 30.362 -0.562 19749 5340 1 10 . 1 1 56 56 LYS H H 56 8.920 8.920 8.677 0.243 19749 5341 1 10 . 1 1 57 57 HIS N N 57 118.200 118.200 117.779 0.421 19749 5342 1 10 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.735 0.165 19749 5343 1 10 . 1 1 57 57 HIS C C 57 173.400 173.400 173.690 -0.290 19749 5344 1 10 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.838 -0.538 19749 5345 1 10 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.775 0.125 19749 5346 1 10 . 1 1 57 57 HIS H H 57 7.980 7.980 7.674 0.306 19749 5347 1 10 . 1 1 58 58 VAL N N 58 124.500 124.500 126.394 -1.894 19749 5348 1 10 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.689 -0.349 19749 5349 1 10 . 1 1 58 58 VAL C C 58 175.700 175.700 175.736 -0.036 19749 5350 1 10 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.725 1.375 19749 5351 1 10 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.269 -0.269 19749 5352 1 10 . 1 1 58 58 VAL H H 58 8.800 8.800 8.478 0.322 19749 5353 1 10 . 1 1 59 59 HIS N N 59 132.200 132.200 129.250 2.950 19749 5354 1 10 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.750 -0.230 19749 5355 1 10 . 1 1 59 59 HIS C C 59 174.100 174.100 174.200 -0.100 19749 5356 1 10 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.507 1.194 19749 5357 1 10 . 1 1 59 59 HIS CB C 59 32.200 32.200 31.636 0.564 19749 5358 1 10 . 1 1 59 59 HIS H H 59 9.830 9.830 9.049 0.781 19749 5359 1 10 . 1 1 60 60 THR N N 60 119.300 119.300 119.855 -0.555 19749 5360 1 10 . 1 1 60 60 THR HA H 60 5.280 5.280 4.953 0.327 19749 5361 1 10 . 1 1 60 60 THR C C 60 173.700 173.700 173.665 0.035 19749 5362 1 10 . 1 1 60 60 THR CA C 60 62.100 62.100 61.204 0.896 19749 5363 1 10 . 1 1 60 60 THR CB C 60 70.300 70.300 70.203 0.097 19749 5364 1 10 . 1 1 60 60 THR H H 60 8.420 8.420 8.476 -0.056 19749 5365 1 10 . 1 1 61 61 TYR N N 61 127.000 127.000 125.164 1.836 19749 5366 1 10 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.771 0.029 19749 5367 1 10 . 1 1 61 61 TYR C C 61 175.000 175.000 175.674 -0.674 19749 5368 1 10 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.265 0.235 19749 5369 1 10 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.472 1.428 19749 5370 1 10 . 1 1 61 61 TYR H H 61 9.810 9.810 8.681 1.129 19749 5371 1 10 . 1 1 62 62 ARG N N 62 124.200 124.200 123.867 0.333 19749 5372 1 10 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.637 0.073 19749 5373 1 10 . 1 1 62 62 ARG C C 62 175.000 175.000 175.228 -0.228 19749 5374 1 10 . 1 1 62 62 ARG CA C 62 56.900 56.900 56.456 0.445 19749 5375 1 10 . 1 1 62 62 ARG CB C 62 31.500 31.500 31.119 0.381 19749 5376 1 10 . 1 1 62 62 ARG H H 62 9.240 9.240 8.876 0.364 19749 5377 1 10 . 1 1 63 63 ILE N N 63 124.100 124.100 121.135 2.965 19749 5378 1 10 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.439 0.321 19749 5379 1 10 . 1 1 63 63 ILE C C 63 174.900 174.900 174.167 0.733 19749 5380 1 10 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.900 -0.400 19749 5381 1 10 . 1 1 63 63 ILE CB C 63 39.600 39.600 39.742 -0.142 19749 5382 1 10 . 1 1 63 63 ILE H H 63 8.810 8.810 7.972 0.838 19749 5383 1 10 . 1 1 64 64 LEU N N 64 126.200 126.200 128.666 -2.466 19749 5384 1 10 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.963 0.237 19749 5385 1 10 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.269 -0.669 19749 5386 1 10 . 1 1 64 64 LEU CB C 64 44.200 44.200 43.206 0.994 19749 5387 1 10 . 1 1 64 64 LEU H H 64 8.660 8.660 8.035 0.625 19749 5388 1 10 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.334 0.896 19749 5389 1 10 . 1 1 65 65 PRO C C 65 177.000 177.000 177.412 -0.412 19749 5390 1 10 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.673 -2.173 19749 5391 1 10 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.057 0.243 19749 5392 1 10 . 1 1 66 66 ASP N N 66 124.500 124.500 116.364 8.136 19749 5393 1 10 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.295 0.605 19749 5394 1 10 . 1 1 66 66 ASP C C 66 177.200 177.200 174.906 2.294 19749 5395 1 10 . 1 1 66 66 ASP CA C 66 52.600 52.600 54.632 -2.032 19749 5396 1 10 . 1 1 66 66 ASP CB C 66 43.000 43.000 40.402 2.598 19749 5397 1 10 . 1 1 66 66 ASP H H 66 8.650 8.650 8.531 0.119 19749 5398 1 10 . 1 1 67 67 GLY N N 67 108.300 108.300 103.973 4.327 19749 5399 1 10 . 1 1 67 67 GLY C C 67 174.700 174.700 174.200 0.500 19749 5400 1 10 . 1 1 67 67 GLY CA C 67 45.900 45.900 44.662 1.238 19749 5401 1 10 . 1 1 67 67 GLY H H 67 8.420 8.420 7.131 1.289 19749 5402 1 10 . 1 1 68 68 GLU N N 68 120.300 120.300 122.535 -2.235 19749 5403 1 10 . 1 1 68 68 GLU HA H 68 4.340 4.340 3.884 0.456 19749 5404 1 10 . 1 1 68 68 GLU C C 68 176.100 176.100 176.542 -0.442 19749 5405 1 10 . 1 1 68 68 GLU CA C 68 56.800 56.800 59.592 -2.792 19749 5406 1 10 . 1 1 68 68 GLU CB C 68 30.300 30.300 29.772 0.528 19749 5407 1 10 . 1 1 68 68 GLU H H 68 8.580 8.580 8.748 -0.168 19749 5408 1 10 . 1 1 69 69 ASP N N 69 115.000 115.000 115.861 -0.861 19749 5409 1 10 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.813 -0.293 19749 5410 1 10 . 1 1 69 69 ASP C C 69 175.500 175.500 175.413 0.087 19749 5411 1 10 . 1 1 69 69 ASP CA C 69 55.900 55.900 53.789 2.111 19749 5412 1 10 . 1 1 69 69 ASP CB C 69 40.600 40.600 42.107 -1.507 19749 5413 1 10 . 1 1 69 69 ASP H H 69 8.360 8.360 8.256 0.104 19749 5414 1 10 . 1 1 70 70 PHE N N 70 117.200 117.200 116.373 0.827 19749 5415 1 10 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.333 -0.343 19749 5416 1 10 . 1 1 70 70 PHE C C 70 175.700 175.700 173.537 2.163 19749 5417 1 10 . 1 1 70 70 PHE CA C 70 57.600 57.600 55.021 2.579 19749 5418 1 10 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.660 0.040 19749 5419 1 10 . 1 1 70 70 PHE H H 70 8.120 8.120 7.415 0.705 19749 5420 1 10 . 1 1 71 71 LEU N N 71 120.900 120.900 117.631 3.269 19749 5421 1 10 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.203 -0.253 19749 5422 1 10 . 1 1 71 71 LEU C C 71 175.900 175.900 175.649 0.251 19749 5423 1 10 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.778 0.122 19749 5424 1 10 . 1 1 71 71 LEU CB C 71 45.700 45.700 44.041 1.659 19749 5425 1 10 . 1 1 71 71 LEU H H 71 9.330 9.330 9.036 0.294 19749 5426 1 10 . 1 1 72 72 ALA N N 72 121.500 121.500 126.600 -5.100 19749 5427 1 10 . 1 1 72 72 ALA HA H 72 5.210 5.210 5.185 0.025 19749 5428 1 10 . 1 1 72 72 ALA C C 72 176.900 176.900 175.642 1.258 19749 5429 1 10 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.372 1.128 19749 5430 1 10 . 1 1 72 72 ALA CB C 72 23.000 23.000 22.532 0.468 19749 5431 1 10 . 1 1 72 72 ALA H H 72 8.670 8.670 8.757 -0.087 19749 5432 1 10 . 1 1 73 73 VAL N N 73 122.700 122.700 121.022 1.678 19749 5433 1 10 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.481 0.099 19749 5434 1 10 . 1 1 73 73 VAL C C 73 175.100 175.100 175.892 -0.792 19749 5435 1 10 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.301 0.499 19749 5436 1 10 . 1 1 73 73 VAL CB C 73 33.800 33.800 34.222 -0.422 19749 5437 1 10 . 1 1 73 73 VAL H H 73 9.310 9.310 8.372 0.938 19749 5438 1 10 . 1 1 74 74 GLN N N 74 128.600 128.600 126.732 1.868 19749 5439 1 10 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.452 0.258 19749 5440 1 10 . 1 1 74 74 GLN C C 74 175.900 175.900 175.997 -0.097 19749 5441 1 10 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.448 -0.348 19749 5442 1 10 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.403 2.297 19749 5443 1 10 . 1 1 74 74 GLN H H 74 9.090 9.090 9.103 -0.013 19749 5444 1 10 . 1 1 75 75 THR N N 75 117.700 117.700 119.654 -1.954 19749 5445 1 10 . 1 1 75 75 THR HA H 75 4.490 4.490 3.949 0.541 19749 5446 1 10 . 1 1 75 75 THR C C 75 174.700 174.700 174.402 0.298 19749 5447 1 10 . 1 1 75 75 THR CA C 75 62.200 62.200 64.034 -1.834 19749 5448 1 10 . 1 1 75 75 THR CB C 75 69.800 69.800 69.445 0.355 19749 5449 1 10 . 1 1 75 75 THR H H 75 8.510 8.510 8.074 0.436 19749 5450 1 10 . 1 1 76 76 SER N N 76 115.300 115.300 114.232 1.068 19749 5451 1 10 . 1 1 76 76 SER HA H 76 4.540 4.540 4.617 -0.077 19749 5452 1 10 . 1 1 76 76 SER C C 76 174.200 174.200 172.606 1.594 19749 5453 1 10 . 1 1 76 76 SER CA C 76 58.600 58.600 58.035 0.565 19749 5454 1 10 . 1 1 76 76 SER CB C 76 64.200 64.200 65.352 -1.152 19749 5455 1 10 . 1 1 76 76 SER H H 76 8.250 8.250 8.107 0.143 19749 5456 1 10 . 1 1 77 77 GLN N N 77 120.500 120.500 125.227 -4.727 19749 5457 1 10 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.130 0.090 19749 5458 1 10 . 1 1 77 77 GLN C C 77 176.900 176.900 176.558 0.342 19749 5459 1 10 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.172 0.128 19749 5460 1 10 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.091 0.809 19749 5461 1 10 . 1 1 77 77 GLN H H 77 8.510 8.510 8.744 -0.234 19749 5462 1 10 . 1 1 78 78 GLY N N 78 110.300 110.300 111.432 -1.132 19749 5463 1 10 . 1 1 78 78 GLY C C 78 173.800 173.800 173.436 0.364 19749 5464 1 10 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.005 0.495 19749 5465 1 10 . 1 1 78 78 GLY H H 78 8.610 8.610 8.445 0.165 19749 5466 1 10 . 1 1 79 79 VAL N N 79 119.500 119.500 117.910 1.590 19749 5467 1 10 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.695 -0.145 19749 5468 1 10 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.404 1.096 19749 5469 1 10 . 1 1 79 79 VAL CB C 79 32.800 32.800 33.379 -0.579 19749 5470 1 10 . 1 1 79 79 VAL H H 79 7.400 7.400 7.889 -0.489 19749 5471 1 10 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.322 0.098 19749 5472 1 10 . 1 1 80 80 PRO C C 80 176.900 176.900 176.030 0.870 19749 5473 1 10 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.414 -0.114 19749 5474 1 10 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.646 0.654 19749 5475 1 10 . 1 1 81 81 VAL N N 81 121.600 121.600 123.817 -2.217 19749 5476 1 10 . 1 1 81 81 VAL HA H 81 4.040 4.040 3.994 0.046 19749 5477 1 10 . 1 1 81 81 VAL C C 81 175.800 175.800 176.636 -0.836 19749 5478 1 10 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.350 0.650 19749 5479 1 10 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.593 0.207 19749 5480 1 10 . 1 1 81 81 VAL H H 81 8.390 8.390 8.217 0.173 19749 5481 1 10 . 1 1 82 82 ARG N N 82 125.400 125.400 127.520 -2.120 19749 5482 1 10 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.474 -0.024 19749 5483 1 10 . 1 1 82 82 ARG C C 82 173.900 173.900 174.472 -0.572 19749 5484 1 10 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.083 0.917 19749 5485 1 10 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.050 1.250 19749 5486 1 10 . 1 1 82 82 ARG H H 82 8.170 8.170 8.780 -0.610 19749 5487 1 10 . 1 1 83 83 ARG N N 83 121.200 121.200 121.615 -0.415 19749 5488 1 10 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.247 1.083 19749 5489 1 10 . 1 1 83 83 ARG C C 83 175.600 175.600 175.198 0.402 19749 5490 1 10 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.694 -1.194 19749 5491 1 10 . 1 1 83 83 ARG CB C 83 33.500 33.500 30.528 2.972 19749 5492 1 10 . 1 1 83 83 ARG H H 83 8.060 8.060 8.211 -0.151 19749 5493 1 10 . 1 1 84 84 PHE N N 84 118.600 118.600 121.760 -3.160 19749 5494 1 10 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.836 0.114 19749 5495 1 10 . 1 1 84 84 PHE C C 84 175.200 175.200 176.167 -0.967 19749 5496 1 10 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.665 0.435 19749 5497 1 10 . 1 1 84 84 PHE CB C 84 44.500 44.500 41.539 2.961 19749 5498 1 10 . 1 1 84 84 PHE H H 84 9.320 9.320 8.769 0.551 19749 5499 1 10 . 1 1 85 85 GLN N N 85 120.800 120.800 122.310 -1.510 19749 5500 1 10 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.383 -0.333 19749 5501 1 10 . 1 1 85 85 GLN C C 85 176.000 176.000 175.483 0.517 19749 5502 1 10 . 1 1 85 85 GLN CA C 85 58.400 58.400 57.207 1.193 19749 5503 1 10 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.856 0.444 19749 5504 1 10 . 1 1 85 85 GLN H H 85 9.660 9.660 8.906 0.754 19749 5505 1 10 . 1 1 86 86 THR N N 86 103.000 103.000 113.811 -10.811 19749 5506 1 10 . 1 1 86 86 THR HA H 86 4.810 4.810 4.561 0.249 19749 5507 1 10 . 1 1 86 86 THR C C 86 174.500 174.500 173.651 0.849 19749 5508 1 10 . 1 1 86 86 THR CA C 86 58.700 58.700 60.069 -1.369 19749 5509 1 10 . 1 1 86 86 THR CB C 86 73.400 73.400 71.356 2.044 19749 5510 1 10 . 1 1 86 86 THR H H 86 7.260 7.260 7.478 -0.218 19749 5511 1 10 . 1 1 87 87 LEU N N 87 122.200 122.200 124.613 -2.413 19749 5512 1 10 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.933 -0.103 19749 5513 1 10 . 1 1 87 87 LEU C C 87 178.600 178.600 178.249 0.351 19749 5514 1 10 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.489 -0.389 19749 5515 1 10 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.088 1.312 19749 5516 1 10 . 1 1 87 87 LEU H H 87 9.150 9.150 8.491 0.659 19749 5517 1 10 . 1 1 88 88 GLY N N 88 105.200 105.200 105.991 -0.791 19749 5518 1 10 . 1 1 88 88 GLY C C 88 176.900 176.900 176.277 0.623 19749 5519 1 10 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.475 -0.075 19749 5520 1 10 . 1 1 88 88 GLY H H 88 8.870 8.870 8.748 0.122 19749 5521 1 10 . 1 1 89 89 GLU N N 89 122.000 122.000 121.106 0.894 19749 5522 1 10 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.170 -0.240 19749 5523 1 10 . 1 1 89 89 GLU C C 89 177.600 177.600 178.664 -1.064 19749 5524 1 10 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.254 0.646 19749 5525 1 10 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.002 1.998 19749 5526 1 10 . 1 1 89 89 GLU H H 89 7.670 7.670 7.420 0.250 19749 5527 1 10 . 1 1 90 90 LEU N N 90 122.300 122.300 121.800 0.500 19749 5528 1 10 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.432 -0.002 19749 5529 1 10 . 1 1 90 90 LEU C C 90 177.200 177.200 178.020 -0.820 19749 5530 1 10 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.218 1.482 19749 5531 1 10 . 1 1 90 90 LEU CB C 90 42.100 42.100 40.999 1.101 19749 5532 1 10 . 1 1 90 90 LEU H H 90 6.880 6.880 7.174 -0.294 19749 5533 1 10 . 1 1 91 91 ILE N N 91 118.800 118.800 117.016 1.784 19749 5534 1 10 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.265 -0.155 19749 5535 1 10 . 1 1 91 91 ILE C C 91 177.700 177.700 178.297 -0.597 19749 5536 1 10 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.762 -1.362 19749 5537 1 10 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.371 0.029 19749 5538 1 10 . 1 1 91 91 ILE H H 91 7.880 7.880 7.432 0.448 19749 5539 1 10 . 1 1 92 92 GLY N N 92 103.900 103.900 108.288 -4.388 19749 5540 1 10 . 1 1 92 92 GLY C C 92 176.400 176.400 176.368 0.032 19749 5541 1 10 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.147 -0.347 19749 5542 1 10 . 1 1 92 92 GLY H H 92 7.570 7.570 7.767 -0.197 19749 5543 1 10 . 1 1 93 93 LEU N N 93 123.200 123.200 121.072 2.128 19749 5544 1 10 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.182 -0.102 19749 5545 1 10 . 1 1 93 93 LEU C C 93 179.100 179.100 178.466 0.634 19749 5546 1 10 . 1 1 93 93 LEU CA C 93 57.400 57.400 56.519 0.881 19749 5547 1 10 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.116 -1.316 19749 5548 1 10 . 1 1 93 93 LEU H H 93 7.360 7.360 7.583 -0.223 19749 5549 1 10 . 1 1 94 94 TYR N N 94 114.000 114.000 117.172 -3.172 19749 5550 1 10 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.251 -0.021 19749 5551 1 10 . 1 1 94 94 TYR C C 94 175.600 175.600 178.073 -2.473 19749 5552 1 10 . 1 1 94 94 TYR CA C 94 60.200 60.200 57.830 2.370 19749 5553 1 10 . 1 1 94 94 TYR CB C 94 36.600 36.600 37.036 -0.436 19749 5554 1 10 . 1 1 94 94 TYR H H 94 7.380 7.380 8.274 -0.894 19749 5555 1 10 . 1 1 95 95 ALA N N 95 123.100 123.100 120.864 2.236 19749 5556 1 10 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.310 0.050 19749 5557 1 10 . 1 1 95 95 ALA C C 95 177.300 177.300 177.674 -0.374 19749 5558 1 10 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.957 -0.057 19749 5559 1 10 . 1 1 95 95 ALA CB C 95 19.000 19.000 19.268 -0.268 19749 5560 1 10 . 1 1 95 95 ALA H H 95 7.330 7.330 7.472 -0.142 19749 5561 1 10 . 1 1 96 96 GLN N N 96 116.500 116.500 116.240 0.260 19749 5562 1 10 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.793 -0.253 19749 5563 1 10 . 1 1 96 96 GLN CA C 96 53.000 53.000 53.269 -0.269 19749 5564 1 10 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.991 -0.391 19749 5565 1 10 . 1 1 96 96 GLN H H 96 7.620 7.620 7.660 -0.040 19749 5566 1 10 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.733 -0.493 19749 5567 1 10 . 1 1 97 97 PRO C C 97 176.800 176.800 176.788 0.012 19749 5568 1 10 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.906 -0.106 19749 5569 1 10 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.569 0.231 19749 5570 1 10 . 1 1 98 98 ASN N N 98 114.900 114.900 116.300 -1.400 19749 5571 1 10 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.349 0.131 19749 5572 1 10 . 1 1 98 98 ASN C C 98 175.100 175.100 173.695 1.405 19749 5573 1 10 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.951 0.349 19749 5574 1 10 . 1 1 98 98 ASN CB C 98 36.900 36.900 36.902 -0.002 19749 5575 1 10 . 1 1 98 98 ASN H H 98 8.960 8.960 8.726 0.234 19749 5576 1 10 . 1 1 99 99 GLN N N 99 115.400 115.400 117.369 -1.969 19749 5577 1 10 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.249 0.251 19749 5578 1 10 . 1 1 99 99 GLN C C 99 176.100 176.100 175.487 0.613 19749 5579 1 10 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.925 -1.625 19749 5580 1 10 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.825 -0.225 19749 5581 1 10 . 1 1 99 99 GLN H H 99 8.610 8.610 8.051 0.559 19749 5582 1 10 . 1 1 100 100 GLY N N 100 107.400 107.400 110.167 -2.767 19749 5583 1 10 . 1 1 100 100 GLY C C 100 174.600 174.600 173.651 0.949 19749 5584 1 10 . 1 1 100 100 GLY CA C 100 45.400 45.400 44.844 0.556 19749 5585 1 10 . 1 1 100 100 GLY H H 100 8.460 8.460 8.309 0.151 19749 5586 1 10 . 1 1 101 101 LEU N N 101 118.400 118.400 124.213 -5.813 19749 5587 1 10 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.253 0.127 19749 5588 1 10 . 1 1 101 101 LEU C C 101 178.000 178.000 178.134 -0.134 19749 5589 1 10 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.133 -1.233 19749 5590 1 10 . 1 1 101 101 LEU CB C 101 42.400 42.400 41.617 0.784 19749 5591 1 10 . 1 1 101 101 LEU H H 101 8.020 8.020 7.483 0.537 19749 5592 1 10 . 1 1 102 102 VAL N N 102 114.700 114.700 122.772 -8.072 19749 5593 1 10 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.776 -0.186 19749 5594 1 10 . 1 1 102 102 VAL C C 102 173.600 173.600 176.294 -2.694 19749 5595 1 10 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.761 -1.161 19749 5596 1 10 . 1 1 102 102 VAL CB C 102 31.100 31.100 31.701 -0.601 19749 5597 1 10 . 1 1 102 102 VAL H H 102 7.260 7.260 8.446 -1.186 19749 5598 1 10 . 1 1 103 103 CYS N N 103 112.400 112.400 118.097 -5.697 19749 5599 1 10 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.210 0.030 19749 5600 1 10 . 1 1 103 103 CYS C C 103 170.600 170.600 173.772 -3.172 19749 5601 1 10 . 1 1 103 103 CYS CA C 103 56.100 56.100 58.161 -2.061 19749 5602 1 10 . 1 1 103 103 CYS CB C 103 29.600 29.600 27.265 2.335 19749 5603 1 10 . 1 1 103 103 CYS H H 103 6.920 6.920 7.723 -0.803 19749 5604 1 10 . 1 1 104 104 ALA N N 104 119.600 119.600 121.100 -1.500 19749 5605 1 10 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.888 0.322 19749 5606 1 10 . 1 1 104 104 ALA C C 104 176.300 176.300 175.911 0.389 19749 5607 1 10 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.627 -1.027 19749 5608 1 10 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.192 1.208 19749 5609 1 10 . 1 1 104 104 ALA H H 104 7.840 7.840 7.427 0.413 19749 5610 1 10 . 1 1 105 105 LEU N N 105 117.100 117.100 120.068 -2.968 19749 5611 1 10 . 1 1 105 105 LEU HA H 105 3.780 3.780 4.211 -0.431 19749 5612 1 10 . 1 1 105 105 LEU C C 105 175.400 175.400 177.282 -1.882 19749 5613 1 10 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.267 -0.667 19749 5614 1 10 . 1 1 105 105 LEU CB C 105 37.400 37.400 40.393 -2.993 19749 5615 1 10 . 1 1 105 105 LEU H H 105 7.610 7.610 8.075 -0.465 19749 5616 1 10 . 1 1 106 106 LEU N N 106 124.700 124.700 128.342 -3.642 19749 5617 1 10 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.359 0.241 19749 5618 1 10 . 1 1 106 106 LEU C C 106 177.600 177.600 177.209 0.391 19749 5619 1 10 . 1 1 106 106 LEU CA C 106 56.300 56.300 57.234 -0.934 19749 5620 1 10 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.001 2.999 19749 5621 1 10 . 1 1 106 106 LEU H H 106 8.160 8.160 8.531 -0.371 19749 5622 1 10 . 1 1 107 107 LEU N N 107 121.400 121.400 113.259 8.141 19749 5623 1 10 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.093 0.017 19749 5624 1 10 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.036 -0.336 19749 5625 1 10 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.586 1.014 19749 5626 1 10 . 1 1 107 107 LEU H H 107 7.930 7.930 8.099 -0.169 19749 5627 1 10 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.586 -1.156 19749 5628 1 10 . 1 1 108 108 PRO C C 108 176.500 176.500 176.296 0.204 19749 5629 1 10 . 1 1 108 108 PRO CA C 108 62.400 62.400 61.516 0.884 19749 5630 1 10 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.276 0.524 19749 5631 1 11 . 1 1 10 10 HIS C C 10 175.000 175.000 173.159 1.841 19749 5632 1 11 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.906 -0.006 19749 5633 1 11 . 1 1 10 10 HIS CB C 10 29.900 29.900 29.896 0.003 19749 5634 1 11 . 1 1 11 11 MET N N 11 120.400 120.400 121.134 -0.734 19749 5635 1 11 . 1 1 11 11 MET HA H 11 4.000 4.000 4.625 -0.625 19749 5636 1 11 . 1 1 11 11 MET C C 11 177.500 177.500 175.595 1.905 19749 5637 1 11 . 1 1 11 11 MET CA C 11 54.100 54.100 54.875 -0.775 19749 5638 1 11 . 1 1 11 11 MET CB C 11 31.500 31.500 32.246 -0.746 19749 5639 1 11 . 1 1 11 11 MET H H 11 7.800 7.800 8.563 -0.763 19749 5640 1 11 . 1 1 12 12 SER N N 12 118.600 118.600 115.894 2.706 19749 5641 1 11 . 1 1 12 12 SER HA H 12 3.860 3.860 4.189 -0.329 19749 5642 1 11 . 1 1 12 12 SER C C 12 173.900 173.900 174.516 -0.616 19749 5643 1 11 . 1 1 12 12 SER CA C 12 61.200 61.200 57.396 3.804 19749 5644 1 11 . 1 1 12 12 SER CB C 12 62.500 62.500 63.849 -1.349 19749 5645 1 11 . 1 1 12 12 SER H H 12 8.520 8.520 7.741 0.779 19749 5646 1 11 . 1 1 13 13 TRP N N 13 113.400 113.400 113.940 -0.540 19749 5647 1 11 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.601 0.289 19749 5648 1 11 . 1 1 13 13 TRP C C 13 176.000 176.000 174.802 1.198 19749 5649 1 11 . 1 1 13 13 TRP CA C 13 53.800 53.800 55.455 -1.655 19749 5650 1 11 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.135 0.965 19749 5651 1 11 . 1 1 13 13 TRP H H 13 6.180 6.180 7.298 -1.118 19749 5652 1 11 . 1 1 14 14 TYR N N 14 123.200 123.200 122.862 0.338 19749 5653 1 11 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.295 0.275 19749 5654 1 11 . 1 1 14 14 TYR C C 14 174.700 174.700 174.279 0.421 19749 5655 1 11 . 1 1 14 14 TYR CA C 14 56.000 56.000 56.503 -0.503 19749 5656 1 11 . 1 1 14 14 TYR CB C 14 37.900 37.900 39.597 -1.698 19749 5657 1 11 . 1 1 14 14 TYR H H 14 7.430 7.430 7.111 0.319 19749 5658 1 11 . 1 1 15 15 HIS N N 15 126.900 126.900 126.590 0.310 19749 5659 1 11 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.960 -0.410 19749 5660 1 11 . 1 1 15 15 HIS C C 15 173.300 173.300 175.274 -1.974 19749 5661 1 11 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.738 -1.638 19749 5662 1 11 . 1 1 15 15 HIS CB C 15 30.400 30.400 31.215 -0.815 19749 5663 1 11 . 1 1 15 15 HIS H H 15 8.680 8.680 8.308 0.372 19749 5664 1 11 . 1 1 16 16 ARG N N 16 122.500 122.500 124.880 -2.380 19749 5665 1 11 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.762 0.188 19749 5666 1 11 . 1 1 16 16 ARG C C 16 176.100 176.100 174.991 1.109 19749 5667 1 11 . 1 1 16 16 ARG CA C 16 57.300 57.300 59.924 -2.624 19749 5668 1 11 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.574 -0.474 19749 5669 1 11 . 1 1 16 16 ARG H H 16 7.740 7.740 8.793 -1.053 19749 5670 1 11 . 1 1 17 17 ASP N N 17 119.100 119.100 114.262 4.838 19749 5671 1 11 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.697 -0.177 19749 5672 1 11 . 1 1 17 17 ASP C C 17 174.900 174.900 175.739 -0.839 19749 5673 1 11 . 1 1 17 17 ASP CA C 17 54.800 54.800 53.849 0.951 19749 5674 1 11 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.088 -0.188 19749 5675 1 11 . 1 1 17 17 ASP H H 17 8.900 8.900 7.709 1.191 19749 5676 1 11 . 1 1 18 18 LEU N N 18 121.000 121.000 123.490 -2.490 19749 5677 1 11 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.250 0.260 19749 5678 1 11 . 1 1 18 18 LEU C C 18 176.300 176.300 175.979 0.321 19749 5679 1 11 . 1 1 18 18 LEU CA C 18 54.500 54.500 55.879 -1.379 19749 5680 1 11 . 1 1 18 18 LEU CB C 18 44.800 44.800 42.440 2.360 19749 5681 1 11 . 1 1 18 18 LEU H H 18 7.280 7.280 7.776 -0.496 19749 5682 1 11 . 1 1 19 19 SER N N 19 123.400 123.400 108.599 14.801 19749 5683 1 11 . 1 1 19 19 SER HA H 19 4.440 4.440 4.176 0.264 19749 5684 1 11 . 1 1 19 19 SER C C 19 173.900 173.900 174.872 -0.972 19749 5685 1 11 . 1 1 19 19 SER CA C 19 57.700 57.700 57.975 -0.275 19749 5686 1 11 . 1 1 19 19 SER CB C 19 65.200 65.200 63.462 1.738 19749 5687 1 11 . 1 1 19 19 SER H H 19 8.650 8.650 7.518 1.132 19749 5688 1 11 . 1 1 20 20 ARG N N 20 121.700 121.700 127.065 -5.365 19749 5689 1 11 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.038 -0.328 19749 5690 1 11 . 1 1 20 20 ARG C C 20 178.200 178.200 177.317 0.883 19749 5691 1 11 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.988 0.612 19749 5692 1 11 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.313 -0.213 19749 5693 1 11 . 1 1 20 20 ARG H H 20 8.970 8.970 9.091 -0.121 19749 5694 1 11 . 1 1 21 21 ALA N N 21 119.900 119.900 120.742 -0.842 19749 5695 1 11 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.022 0.018 19749 5696 1 11 . 1 1 21 21 ALA C C 21 180.600 180.600 178.732 1.868 19749 5697 1 11 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.984 0.216 19749 5698 1 11 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.238 0.061 19749 5699 1 11 . 1 1 21 21 ALA H H 21 8.670 8.670 8.363 0.307 19749 5700 1 11 . 1 1 22 22 ALA N N 22 121.000 121.000 120.425 0.575 19749 5701 1 11 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.154 -0.024 19749 5702 1 11 . 1 1 22 22 ALA C C 22 180.900 180.900 179.369 1.531 19749 5703 1 11 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.072 0.628 19749 5704 1 11 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.210 0.790 19749 5705 1 11 . 1 1 22 22 ALA H H 22 7.890 7.890 8.093 -0.203 19749 5706 1 11 . 1 1 23 23 ALA N N 23 121.700 121.700 122.296 -0.596 19749 5707 1 11 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.007 -0.127 19749 5708 1 11 . 1 1 23 23 ALA C C 23 178.700 178.700 179.326 -0.626 19749 5709 1 11 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.175 -0.075 19749 5710 1 11 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.141 1.059 19749 5711 1 11 . 1 1 23 23 ALA H H 23 8.570 8.570 8.354 0.216 19749 5712 1 11 . 1 1 24 24 GLU N N 24 116.500 116.500 119.473 -2.973 19749 5713 1 11 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.963 -0.203 19749 5714 1 11 . 1 1 24 24 GLU C C 24 178.900 178.900 178.746 0.154 19749 5715 1 11 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.662 0.838 19749 5716 1 11 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.647 -1.147 19749 5717 1 11 . 1 1 24 24 GLU H H 24 8.200 8.200 8.036 0.164 19749 5718 1 11 . 1 1 25 25 GLU N N 25 120.000 120.000 120.051 -0.051 19749 5719 1 11 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.129 -0.069 19749 5720 1 11 . 1 1 25 25 GLU C C 25 178.400 178.400 179.212 -0.812 19749 5721 1 11 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.986 0.414 19749 5722 1 11 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.544 -0.044 19749 5723 1 11 . 1 1 25 25 GLU H H 25 7.690 7.690 7.532 0.158 19749 5724 1 11 . 1 1 26 26 LEU N N 26 120.200 120.200 120.297 -0.097 19749 5725 1 11 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.062 -0.152 19749 5726 1 11 . 1 1 26 26 LEU C C 26 180.200 180.200 179.692 0.508 19749 5727 1 11 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.521 0.679 19749 5728 1 11 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.198 1.202 19749 5729 1 11 . 1 1 26 26 LEU H H 26 7.840 7.840 8.182 -0.342 19749 5730 1 11 . 1 1 27 27 LEU N N 27 117.800 117.800 119.688 -1.888 19749 5731 1 11 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.882 0.098 19749 5732 1 11 . 1 1 27 27 LEU C C 27 177.800 177.800 179.199 -1.399 19749 5733 1 11 . 1 1 27 27 LEU CA C 27 57.600 57.600 58.240 -0.640 19749 5734 1 11 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.200 0.701 19749 5735 1 11 . 1 1 27 27 LEU H H 27 7.960 7.960 8.365 -0.405 19749 5736 1 11 . 1 1 28 28 ALA N N 28 120.600 120.600 121.285 -0.685 19749 5737 1 11 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.064 -0.164 19749 5738 1 11 . 1 1 28 28 ALA C C 28 180.900 180.900 179.199 1.701 19749 5739 1 11 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.908 0.292 19749 5740 1 11 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.498 -0.598 19749 5741 1 11 . 1 1 28 28 ALA H H 28 8.160 8.160 8.064 0.096 19749 5742 1 11 . 1 1 29 29 ARG N N 29 116.200 116.200 117.114 -0.914 19749 5743 1 11 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.028 -0.068 19749 5744 1 11 . 1 1 29 29 ARG C C 29 178.000 178.000 177.628 0.372 19749 5745 1 11 . 1 1 29 29 ARG CA C 29 58.600 58.600 59.067 -0.467 19749 5746 1 11 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.668 -0.368 19749 5747 1 11 . 1 1 29 29 ARG H H 29 7.760 7.760 8.158 -0.398 19749 5748 1 11 . 1 1 30 30 ALA N N 30 123.200 123.200 118.785 4.415 19749 5749 1 11 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.350 -0.150 19749 5750 1 11 . 1 1 30 30 ALA C C 30 182.000 182.000 179.752 2.248 19749 5751 1 11 . 1 1 30 30 ALA CA C 30 54.900 54.900 54.059 0.841 19749 5752 1 11 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.019 -0.319 19749 5753 1 11 . 1 1 30 30 ALA H H 30 7.580 7.580 7.540 0.040 19749 5754 1 11 . 1 1 31 31 GLY N N 31 102.400 102.400 105.711 -3.311 19749 5755 1 11 . 1 1 31 31 GLY C C 31 174.800 174.800 175.006 -0.206 19749 5756 1 11 . 1 1 31 31 GLY CA C 31 48.100 48.100 45.307 2.793 19749 5757 1 11 . 1 1 31 31 GLY H H 31 7.690 7.690 8.063 -0.373 19749 5758 1 11 . 1 1 32 32 ARG N N 32 121.100 121.100 117.047 4.053 19749 5759 1 11 . 1 1 32 32 ARG HA H 32 4.460 4.460 3.884 0.576 19749 5760 1 11 . 1 1 32 32 ARG C C 32 176.500 176.500 174.193 2.307 19749 5761 1 11 . 1 1 32 32 ARG CA C 32 55.400 55.400 58.020 -2.620 19749 5762 1 11 . 1 1 32 32 ARG CB C 32 32.600 32.600 27.785 4.815 19749 5763 1 11 . 1 1 32 32 ARG H H 32 7.040 7.040 8.322 -1.282 19749 5764 1 11 . 1 1 33 33 ASP N N 33 126.100 126.100 118.959 7.141 19749 5765 1 11 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.883 -0.113 19749 5766 1 11 . 1 1 33 33 ASP C C 33 176.800 176.800 176.169 0.631 19749 5767 1 11 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.880 1.120 19749 5768 1 11 . 1 1 33 33 ASP CB C 33 41.000 41.000 44.830 -3.830 19749 5769 1 11 . 1 1 33 33 ASP H H 33 9.110 9.110 8.044 1.066 19749 5770 1 11 . 1 1 34 34 GLY N N 34 109.400 109.400 112.663 -3.263 19749 5771 1 11 . 1 1 34 34 GLY C C 34 175.800 175.800 174.861 0.939 19749 5772 1 11 . 1 1 34 34 GLY CA C 34 46.000 46.000 46.227 -0.227 19749 5773 1 11 . 1 1 34 34 GLY H H 34 9.440 9.440 8.837 0.603 19749 5774 1 11 . 1 1 35 35 SER N N 35 120.400 120.400 118.277 2.123 19749 5775 1 11 . 1 1 35 35 SER HA H 35 5.990 5.990 5.636 0.354 19749 5776 1 11 . 1 1 35 35 SER C C 35 173.400 173.400 174.065 -0.665 19749 5777 1 11 . 1 1 35 35 SER CA C 35 59.800 59.800 58.244 1.556 19749 5778 1 11 . 1 1 35 35 SER CB C 35 63.700 63.700 63.537 0.163 19749 5779 1 11 . 1 1 35 35 SER H H 35 8.050 8.050 7.828 0.222 19749 5780 1 11 . 1 1 36 36 PHE N N 36 122.000 122.000 121.182 0.818 19749 5781 1 11 . 1 1 36 36 PHE HA H 36 6.040 6.040 6.008 0.032 19749 5782 1 11 . 1 1 36 36 PHE C C 36 170.900 170.900 173.329 -2.429 19749 5783 1 11 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.418 0.882 19749 5784 1 11 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.071 1.329 19749 5785 1 11 . 1 1 36 36 PHE H H 36 8.730 8.730 8.597 0.133 19749 5786 1 11 . 1 1 37 37 LEU N N 37 112.500 112.500 115.501 -3.001 19749 5787 1 11 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.147 -0.097 19749 5788 1 11 . 1 1 37 37 LEU C C 37 175.100 175.100 174.602 0.498 19749 5789 1 11 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.842 -0.342 19749 5790 1 11 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.511 -0.311 19749 5791 1 11 . 1 1 37 37 LEU H H 37 9.000 9.000 8.852 0.148 19749 5792 1 11 . 1 1 38 38 VAL N N 38 120.200 120.200 118.747 1.453 19749 5793 1 11 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.295 0.185 19749 5794 1 11 . 1 1 38 38 VAL C C 38 173.600 173.600 175.050 -1.450 19749 5795 1 11 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.800 0.400 19749 5796 1 11 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.662 0.538 19749 5797 1 11 . 1 1 38 38 VAL H H 38 9.830 9.830 9.092 0.738 19749 5798 1 11 . 1 1 39 39 ARG N N 39 124.000 124.000 120.746 3.254 19749 5799 1 11 . 1 1 39 39 ARG HA H 39 5.520 5.520 4.913 0.607 19749 5800 1 11 . 1 1 39 39 ARG C C 39 174.700 174.700 174.254 0.446 19749 5801 1 11 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.564 -0.764 19749 5802 1 11 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.646 0.554 19749 5803 1 11 . 1 1 39 39 ARG H H 39 9.240 9.240 9.319 -0.079 19749 5804 1 11 . 1 1 40 40 ASP N N 40 122.800 122.800 120.356 2.444 19749 5805 1 11 . 1 1 40 40 ASP HA H 40 4.950 4.950 4.998 -0.048 19749 5806 1 11 . 1 1 40 40 ASP C C 40 176.500 176.500 176.101 0.399 19749 5807 1 11 . 1 1 40 40 ASP CA C 40 55.900 55.900 54.359 1.541 19749 5808 1 11 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.416 -1.516 19749 5809 1 11 . 1 1 40 40 ASP H H 40 9.060 9.060 8.238 0.822 19749 5810 1 11 . 1 1 41 41 SER N N 41 113.600 113.600 119.034 -5.434 19749 5811 1 11 . 1 1 41 41 SER HA H 41 4.200 4.200 4.382 -0.182 19749 5812 1 11 . 1 1 41 41 SER C C 41 175.700 175.700 175.087 0.613 19749 5813 1 11 . 1 1 41 41 SER CA C 41 58.400 58.400 58.600 -0.200 19749 5814 1 11 . 1 1 41 41 SER CB C 41 63.900 63.900 63.968 -0.068 19749 5815 1 11 . 1 1 41 41 SER H H 41 7.870 7.870 8.048 -0.178 19749 5816 1 11 . 1 1 42 42 GLU N N 42 127.200 127.200 126.295 0.905 19749 5817 1 11 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.471 -0.081 19749 5818 1 11 . 1 1 42 42 GLU C C 42 176.500 176.500 176.933 -0.433 19749 5819 1 11 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.732 0.968 19749 5820 1 11 . 1 1 42 42 GLU CB C 42 29.500 29.500 30.008 -0.508 19749 5821 1 11 . 1 1 42 42 GLU H H 42 9.600 9.600 8.916 0.684 19749 5822 1 11 . 1 1 43 43 SER N N 43 113.400 113.400 115.272 -1.872 19749 5823 1 11 . 1 1 43 43 SER HA H 43 4.590 4.590 4.529 0.061 19749 5824 1 11 . 1 1 43 43 SER C C 43 174.000 174.000 174.374 -0.374 19749 5825 1 11 . 1 1 43 43 SER CA C 43 59.400 59.400 59.271 0.129 19749 5826 1 11 . 1 1 43 43 SER CB C 43 65.100 65.100 64.702 0.398 19749 5827 1 11 . 1 1 43 43 SER H H 43 8.110 8.110 7.739 0.371 19749 5828 1 11 . 1 1 44 44 VAL N N 44 123.200 123.200 123.130 0.070 19749 5829 1 11 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.221 -0.081 19749 5830 1 11 . 1 1 44 44 VAL C C 44 174.800 174.800 174.284 0.516 19749 5831 1 11 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.279 0.421 19749 5832 1 11 . 1 1 44 44 VAL CB C 44 33.700 33.700 34.042 -0.342 19749 5833 1 11 . 1 1 44 44 VAL H H 44 7.620 7.620 7.533 0.087 19749 5834 1 11 . 1 1 45 45 ALA N N 45 130.900 130.900 130.419 0.481 19749 5835 1 11 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.303 -0.153 19749 5836 1 11 . 1 1 45 45 ALA C C 45 178.700 178.700 178.683 0.017 19749 5837 1 11 . 1 1 45 45 ALA CA C 45 53.700 53.700 53.260 0.440 19749 5838 1 11 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.767 -0.667 19749 5839 1 11 . 1 1 45 45 ALA H H 45 8.480 8.480 8.548 -0.068 19749 5840 1 11 . 1 1 46 46 GLY N N 46 111.400 111.400 110.518 0.882 19749 5841 1 11 . 1 1 46 46 GLY C C 46 171.700 171.700 173.633 -1.933 19749 5842 1 11 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.611 0.789 19749 5843 1 11 . 1 1 46 46 GLY H H 46 8.600 8.600 8.447 0.153 19749 5844 1 11 . 1 1 47 47 ALA N N 47 117.600 117.600 122.255 -4.655 19749 5845 1 11 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.376 0.504 19749 5846 1 11 . 1 1 47 47 ALA C C 47 177.200 177.200 174.978 2.222 19749 5847 1 11 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.832 -1.032 19749 5848 1 11 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.285 0.415 19749 5849 1 11 . 1 1 47 47 ALA H H 47 7.340 7.340 7.357 -0.017 19749 5850 1 11 . 1 1 48 48 PHE N N 48 117.100 117.100 116.404 0.696 19749 5851 1 11 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.250 0.120 19749 5852 1 11 . 1 1 48 48 PHE C C 48 174.100 174.100 173.917 0.183 19749 5853 1 11 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.573 -0.073 19749 5854 1 11 . 1 1 48 48 PHE CB C 48 43.900 43.900 44.048 -0.148 19749 5855 1 11 . 1 1 48 48 PHE H H 48 9.160 9.160 8.752 0.408 19749 5856 1 11 . 1 1 49 49 ALA N N 49 125.600 125.600 120.547 5.053 19749 5857 1 11 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.105 0.085 19749 5858 1 11 . 1 1 49 49 ALA C C 49 174.900 174.900 174.889 0.011 19749 5859 1 11 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.485 0.715 19749 5860 1 11 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.843 -2.443 19749 5861 1 11 . 1 1 49 49 ALA H H 49 9.630 9.630 8.992 0.638 19749 5862 1 11 . 1 1 50 50 LEU N N 50 127.100 127.100 122.576 4.524 19749 5863 1 11 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.444 -0.374 19749 5864 1 11 . 1 1 50 50 LEU C C 50 174.500 174.500 174.973 -0.473 19749 5865 1 11 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.849 0.151 19749 5866 1 11 . 1 1 50 50 LEU CB C 50 43.900 43.900 46.022 -2.122 19749 5867 1 11 . 1 1 50 50 LEU H H 50 9.350 9.350 8.700 0.650 19749 5868 1 11 . 1 1 51 51 CYS N N 51 127.300 127.300 127.721 -0.421 19749 5869 1 11 . 1 1 51 51 CYS HA H 51 5.410 5.410 4.945 0.465 19749 5870 1 11 . 1 1 51 51 CYS C C 51 173.000 173.000 172.812 0.188 19749 5871 1 11 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.223 -0.023 19749 5872 1 11 . 1 1 51 51 CYS CB C 51 30.400 30.400 29.057 1.343 19749 5873 1 11 . 1 1 51 51 CYS H H 51 9.300 9.300 9.180 0.120 19749 5874 1 11 . 1 1 52 52 VAL N N 52 123.100 123.100 128.542 -5.442 19749 5875 1 11 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.504 -0.344 19749 5876 1 11 . 1 1 52 52 VAL C C 52 173.800 173.800 174.169 -0.369 19749 5877 1 11 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.061 -1.161 19749 5878 1 11 . 1 1 52 52 VAL CB C 52 36.300 36.300 35.696 0.604 19749 5879 1 11 . 1 1 52 52 VAL H H 52 9.460 9.460 8.684 0.776 19749 5880 1 11 . 1 1 53 53 LEU N N 53 130.700 130.700 126.349 4.351 19749 5881 1 11 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.351 -0.371 19749 5882 1 11 . 1 1 53 53 LEU C C 53 175.200 175.200 174.346 0.854 19749 5883 1 11 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.427 0.573 19749 5884 1 11 . 1 1 53 53 LEU CB C 53 45.300 45.300 46.469 -1.169 19749 5885 1 11 . 1 1 53 53 LEU H H 53 9.320 9.320 8.915 0.405 19749 5886 1 11 . 1 1 54 54 TYR N N 54 125.700 125.700 123.812 1.888 19749 5887 1 11 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.722 0.188 19749 5888 1 11 . 1 1 54 54 TYR C C 54 175.400 175.400 174.140 1.260 19749 5889 1 11 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.334 0.366 19749 5890 1 11 . 1 1 54 54 TYR CB C 54 41.700 41.700 41.084 0.616 19749 5891 1 11 . 1 1 54 54 TYR H H 54 9.260 9.260 8.570 0.690 19749 5892 1 11 . 1 1 55 55 GLN N N 55 129.900 129.900 130.581 -0.681 19749 5893 1 11 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.820 -0.120 19749 5894 1 11 . 1 1 55 55 GLN C C 55 175.900 175.900 175.491 0.409 19749 5895 1 11 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.968 -0.268 19749 5896 1 11 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.959 -1.359 19749 5897 1 11 . 1 1 55 55 GLN H H 55 9.750 9.750 8.842 0.908 19749 5898 1 11 . 1 1 56 56 LYS N N 56 107.600 107.600 115.067 -7.467 19749 5899 1 11 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.803 -0.363 19749 5900 1 11 . 1 1 56 56 LYS C C 56 174.800 174.800 174.988 -0.188 19749 5901 1 11 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.660 0.740 19749 5902 1 11 . 1 1 56 56 LYS CB C 56 29.800 29.800 30.725 -0.925 19749 5903 1 11 . 1 1 56 56 LYS H H 56 8.920 8.920 8.733 0.187 19749 5904 1 11 . 1 1 57 57 HIS N N 57 118.200 118.200 118.349 -0.149 19749 5905 1 11 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.796 0.104 19749 5906 1 11 . 1 1 57 57 HIS C C 57 173.400 173.400 173.464 -0.064 19749 5907 1 11 . 1 1 57 57 HIS CA C 57 54.300 54.300 55.062 -0.762 19749 5908 1 11 . 1 1 57 57 HIS CB C 57 31.900 31.900 32.154 -0.254 19749 5909 1 11 . 1 1 57 57 HIS H H 57 7.980 7.980 7.635 0.345 19749 5910 1 11 . 1 1 58 58 VAL N N 58 124.500 124.500 126.914 -2.414 19749 5911 1 11 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.731 -0.392 19749 5912 1 11 . 1 1 58 58 VAL C C 58 175.700 175.700 175.234 0.466 19749 5913 1 11 . 1 1 58 58 VAL CA C 58 63.100 63.100 60.724 2.376 19749 5914 1 11 . 1 1 58 58 VAL CB C 58 32.000 32.000 33.099 -1.099 19749 5915 1 11 . 1 1 58 58 VAL H H 58 8.800 8.800 8.364 0.436 19749 5916 1 11 . 1 1 59 59 HIS N N 59 132.200 132.200 125.926 6.274 19749 5917 1 11 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.653 -0.133 19749 5918 1 11 . 1 1 59 59 HIS C C 59 174.100 174.100 174.043 0.057 19749 5919 1 11 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.871 0.829 19749 5920 1 11 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.100 -0.900 19749 5921 1 11 . 1 1 59 59 HIS H H 59 9.830 9.830 9.098 0.732 19749 5922 1 11 . 1 1 60 60 THR N N 60 119.300 119.300 123.561 -4.261 19749 5923 1 11 . 1 1 60 60 THR HA H 60 5.280 5.280 5.182 0.098 19749 5924 1 11 . 1 1 60 60 THR C C 60 173.700 173.700 173.830 -0.130 19749 5925 1 11 . 1 1 60 60 THR CA C 60 62.100 62.100 62.183 -0.083 19749 5926 1 11 . 1 1 60 60 THR CB C 60 70.300 70.300 69.408 0.892 19749 5927 1 11 . 1 1 60 60 THR H H 60 8.420 8.420 8.209 0.211 19749 5928 1 11 . 1 1 61 61 TYR N N 61 127.000 127.000 127.452 -0.452 19749 5929 1 11 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.947 -0.147 19749 5930 1 11 . 1 1 61 61 TYR C C 61 175.000 175.000 175.885 -0.885 19749 5931 1 11 . 1 1 61 61 TYR CA C 61 56.500 56.500 57.297 -0.797 19749 5932 1 11 . 1 1 61 61 TYR CB C 61 40.900 40.900 38.854 2.046 19749 5933 1 11 . 1 1 61 61 TYR H H 61 9.810 9.810 9.346 0.464 19749 5934 1 11 . 1 1 62 62 ARG N N 62 124.200 124.200 122.626 1.574 19749 5935 1 11 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.403 0.307 19749 5936 1 11 . 1 1 62 62 ARG C C 62 175.000 175.000 175.756 -0.756 19749 5937 1 11 . 1 1 62 62 ARG CA C 62 56.900 56.900 57.403 -0.503 19749 5938 1 11 . 1 1 62 62 ARG CB C 62 31.500 31.500 31.323 0.177 19749 5939 1 11 . 1 1 62 62 ARG H H 62 9.240 9.240 9.023 0.217 19749 5940 1 11 . 1 1 63 63 ILE N N 63 124.100 124.100 120.717 3.383 19749 5941 1 11 . 1 1 63 63 ILE HA H 63 4.760 4.760 5.001 -0.241 19749 5942 1 11 . 1 1 63 63 ILE C C 63 174.900 174.900 174.192 0.708 19749 5943 1 11 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.849 -0.349 19749 5944 1 11 . 1 1 63 63 ILE CB C 63 39.600 39.600 39.898 -0.298 19749 5945 1 11 . 1 1 63 63 ILE H H 63 8.810 8.810 8.164 0.646 19749 5946 1 11 . 1 1 64 64 LEU N N 64 126.200 126.200 128.211 -2.011 19749 5947 1 11 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.050 0.150 19749 5948 1 11 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.126 -0.526 19749 5949 1 11 . 1 1 64 64 LEU CB C 64 44.200 44.200 44.007 0.193 19749 5950 1 11 . 1 1 64 64 LEU H H 64 8.660 8.660 8.851 -0.191 19749 5951 1 11 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.551 0.679 19749 5952 1 11 . 1 1 65 65 PRO C C 65 177.000 177.000 176.931 0.069 19749 5953 1 11 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.896 -2.396 19749 5954 1 11 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.180 0.120 19749 5955 1 11 . 1 1 66 66 ASP N N 66 124.500 124.500 117.370 7.130 19749 5956 1 11 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.410 0.490 19749 5957 1 11 . 1 1 66 66 ASP C C 66 177.200 177.200 176.399 0.801 19749 5958 1 11 . 1 1 66 66 ASP CA C 66 52.600 52.600 54.413 -1.813 19749 5959 1 11 . 1 1 66 66 ASP CB C 66 43.000 43.000 40.240 2.760 19749 5960 1 11 . 1 1 66 66 ASP H H 66 8.650 8.650 8.395 0.255 19749 5961 1 11 . 1 1 67 67 GLY N N 67 108.300 108.300 110.288 -1.988 19749 5962 1 11 . 1 1 67 67 GLY C C 67 174.700 174.700 173.447 1.253 19749 5963 1 11 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.577 0.323 19749 5964 1 11 . 1 1 67 67 GLY H H 67 8.420 8.420 8.276 0.144 19749 5965 1 11 . 1 1 68 68 GLU N N 68 120.300 120.300 118.945 1.355 19749 5966 1 11 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.269 0.071 19749 5967 1 11 . 1 1 68 68 GLU C C 68 176.100 176.100 176.068 0.032 19749 5968 1 11 . 1 1 68 68 GLU CA C 68 56.800 56.800 57.090 -0.290 19749 5969 1 11 . 1 1 68 68 GLU CB C 68 30.300 30.300 29.375 0.925 19749 5970 1 11 . 1 1 68 68 GLU H H 68 8.580 8.580 8.591 -0.011 19749 5971 1 11 . 1 1 69 69 ASP N N 69 115.000 115.000 119.670 -4.670 19749 5972 1 11 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.611 -0.091 19749 5973 1 11 . 1 1 69 69 ASP C C 69 175.500 175.500 174.962 0.538 19749 5974 1 11 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.050 1.850 19749 5975 1 11 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.682 -1.082 19749 5976 1 11 . 1 1 69 69 ASP H H 69 8.360 8.360 8.656 -0.296 19749 5977 1 11 . 1 1 70 70 PHE N N 70 117.200 117.200 117.212 -0.012 19749 5978 1 11 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.038 -0.048 19749 5979 1 11 . 1 1 70 70 PHE C C 70 175.700 175.700 174.460 1.240 19749 5980 1 11 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.339 1.262 19749 5981 1 11 . 1 1 70 70 PHE CB C 70 41.700 41.700 42.205 -0.505 19749 5982 1 11 . 1 1 70 70 PHE H H 70 8.120 8.120 7.762 0.358 19749 5983 1 11 . 1 1 71 71 LEU N N 71 120.900 120.900 121.767 -0.867 19749 5984 1 11 . 1 1 71 71 LEU HA H 71 4.950 4.950 4.697 0.253 19749 5985 1 11 . 1 1 71 71 LEU C C 71 175.900 175.900 175.901 -0.001 19749 5986 1 11 . 1 1 71 71 LEU CA C 71 53.900 53.900 54.388 -0.488 19749 5987 1 11 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.054 3.646 19749 5988 1 11 . 1 1 71 71 LEU H H 71 9.330 9.330 8.904 0.426 19749 5989 1 11 . 1 1 72 72 ALA N N 72 121.500 121.500 128.452 -6.952 19749 5990 1 11 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.781 0.429 19749 5991 1 11 . 1 1 72 72 ALA C C 72 176.900 176.900 176.048 0.852 19749 5992 1 11 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.450 1.050 19749 5993 1 11 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.335 2.665 19749 5994 1 11 . 1 1 72 72 ALA H H 72 8.670 8.670 9.247 -0.577 19749 5995 1 11 . 1 1 73 73 VAL N N 73 122.700 122.700 124.008 -1.308 19749 5996 1 11 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.719 -0.139 19749 5997 1 11 . 1 1 73 73 VAL C C 73 175.100 175.100 176.343 -1.243 19749 5998 1 11 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.279 0.521 19749 5999 1 11 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.024 0.776 19749 6000 1 11 . 1 1 73 73 VAL H H 73 9.310 9.310 8.247 1.063 19749 6001 1 11 . 1 1 74 74 GLN N N 74 128.600 128.600 127.830 0.770 19749 6002 1 11 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.652 0.058 19749 6003 1 11 . 1 1 74 74 GLN C C 74 175.900 175.900 176.262 -0.362 19749 6004 1 11 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.006 0.094 19749 6005 1 11 . 1 1 74 74 GLN CB C 74 29.700 29.700 26.915 2.785 19749 6006 1 11 . 1 1 74 74 GLN H H 74 9.090 9.090 8.875 0.215 19749 6007 1 11 . 1 1 75 75 THR N N 75 117.700 117.700 115.667 2.033 19749 6008 1 11 . 1 1 75 75 THR HA H 75 4.490 4.490 4.458 0.032 19749 6009 1 11 . 1 1 75 75 THR C C 75 174.700 174.700 175.087 -0.387 19749 6010 1 11 . 1 1 75 75 THR CA C 75 62.200 62.200 64.763 -2.563 19749 6011 1 11 . 1 1 75 75 THR CB C 75 69.800 69.800 69.570 0.230 19749 6012 1 11 . 1 1 75 75 THR H H 75 8.510 8.510 8.174 0.336 19749 6013 1 11 . 1 1 76 76 SER N N 76 115.300 115.300 113.970 1.330 19749 6014 1 11 . 1 1 76 76 SER HA H 76 4.540 4.540 4.564 -0.024 19749 6015 1 11 . 1 1 76 76 SER C C 76 174.200 174.200 173.162 1.038 19749 6016 1 11 . 1 1 76 76 SER CA C 76 58.600 58.600 57.605 0.995 19749 6017 1 11 . 1 1 76 76 SER CB C 76 64.200 64.200 64.354 -0.154 19749 6018 1 11 . 1 1 76 76 SER H H 76 8.250 8.250 8.233 0.017 19749 6019 1 11 . 1 1 77 77 GLN N N 77 120.500 120.500 120.992 -0.492 19749 6020 1 11 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.312 -0.092 19749 6021 1 11 . 1 1 77 77 GLN C C 77 176.900 176.900 177.533 -0.633 19749 6022 1 11 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.360 -0.060 19749 6023 1 11 . 1 1 77 77 GLN CB C 77 28.900 28.900 29.297 -0.398 19749 6024 1 11 . 1 1 77 77 GLN H H 77 8.510 8.510 8.473 0.037 19749 6025 1 11 . 1 1 78 78 GLY N N 78 110.300 110.300 111.891 -1.591 19749 6026 1 11 . 1 1 78 78 GLY C C 78 173.800 173.800 174.364 -0.564 19749 6027 1 11 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.526 -0.026 19749 6028 1 11 . 1 1 78 78 GLY H H 78 8.610 8.610 8.644 -0.034 19749 6029 1 11 . 1 1 79 79 VAL N N 79 119.500 119.500 121.466 -1.966 19749 6030 1 11 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.337 0.213 19749 6031 1 11 . 1 1 79 79 VAL CA C 79 59.500 59.500 60.202 -0.702 19749 6032 1 11 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.061 0.739 19749 6033 1 11 . 1 1 79 79 VAL H H 79 7.400 7.400 7.601 -0.201 19749 6034 1 11 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.490 -0.070 19749 6035 1 11 . 1 1 80 80 PRO C C 80 176.900 176.900 176.611 0.289 19749 6036 1 11 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.464 0.836 19749 6037 1 11 . 1 1 80 80 PRO CB C 80 32.300 32.300 32.293 0.007 19749 6038 1 11 . 1 1 81 81 VAL N N 81 121.600 121.600 123.446 -1.846 19749 6039 1 11 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.001 0.039 19749 6040 1 11 . 1 1 81 81 VAL C C 81 175.800 175.800 176.076 -0.276 19749 6041 1 11 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.861 0.139 19749 6042 1 11 . 1 1 81 81 VAL CB C 81 32.800 32.800 31.919 0.881 19749 6043 1 11 . 1 1 81 81 VAL H H 81 8.390 8.390 8.394 -0.004 19749 6044 1 11 . 1 1 82 82 ARG N N 82 125.400 125.400 129.769 -4.369 19749 6045 1 11 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.431 0.019 19749 6046 1 11 . 1 1 82 82 ARG C C 82 173.900 173.900 174.333 -0.433 19749 6047 1 11 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.469 0.531 19749 6048 1 11 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.514 0.786 19749 6049 1 11 . 1 1 82 82 ARG H H 82 8.170 8.170 8.712 -0.542 19749 6050 1 11 . 1 1 83 83 ARG N N 83 121.200 121.200 124.311 -3.111 19749 6051 1 11 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.969 0.361 19749 6052 1 11 . 1 1 83 83 ARG C C 83 175.600 175.600 174.713 0.887 19749 6053 1 11 . 1 1 83 83 ARG CA C 83 54.500 54.500 54.691 -0.192 19749 6054 1 11 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.855 1.645 19749 6055 1 11 . 1 1 83 83 ARG H H 83 8.060 8.060 8.130 -0.070 19749 6056 1 11 . 1 1 84 84 PHE N N 84 118.600 118.600 119.164 -0.564 19749 6057 1 11 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.882 0.068 19749 6058 1 11 . 1 1 84 84 PHE C C 84 175.200 175.200 176.170 -0.970 19749 6059 1 11 . 1 1 84 84 PHE CA C 84 57.100 57.100 57.076 0.024 19749 6060 1 11 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.562 1.938 19749 6061 1 11 . 1 1 84 84 PHE H H 84 9.320 9.320 8.620 0.700 19749 6062 1 11 . 1 1 85 85 GLN N N 85 120.800 120.800 120.532 0.268 19749 6063 1 11 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.315 -0.265 19749 6064 1 11 . 1 1 85 85 GLN C C 85 176.000 176.000 175.703 0.297 19749 6065 1 11 . 1 1 85 85 GLN CA C 85 58.400 58.400 58.412 -0.012 19749 6066 1 11 . 1 1 85 85 GLN CB C 85 30.300 30.300 28.971 1.329 19749 6067 1 11 . 1 1 85 85 GLN H H 85 9.660 9.660 9.045 0.615 19749 6068 1 11 . 1 1 86 86 THR N N 86 103.000 103.000 107.178 -4.178 19749 6069 1 11 . 1 1 86 86 THR HA H 86 4.810 4.810 4.472 0.338 19749 6070 1 11 . 1 1 86 86 THR C C 86 174.500 174.500 174.157 0.343 19749 6071 1 11 . 1 1 86 86 THR CA C 86 58.700 58.700 59.775 -1.075 19749 6072 1 11 . 1 1 86 86 THR CB C 86 73.400 73.400 71.065 2.335 19749 6073 1 11 . 1 1 86 86 THR H H 86 7.260 7.260 7.612 -0.352 19749 6074 1 11 . 1 1 87 87 LEU N N 87 122.200 122.200 121.701 0.499 19749 6075 1 11 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.959 -0.129 19749 6076 1 11 . 1 1 87 87 LEU C C 87 178.600 178.600 178.851 -0.251 19749 6077 1 11 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.298 -0.198 19749 6078 1 11 . 1 1 87 87 LEU CB C 87 42.400 42.400 40.773 1.627 19749 6079 1 11 . 1 1 87 87 LEU H H 87 9.150 9.150 8.662 0.488 19749 6080 1 11 . 1 1 88 88 GLY N N 88 105.200 105.200 105.917 -0.717 19749 6081 1 11 . 1 1 88 88 GLY C C 88 176.900 176.900 176.529 0.371 19749 6082 1 11 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.081 0.319 19749 6083 1 11 . 1 1 88 88 GLY H H 88 8.870 8.870 8.590 0.280 19749 6084 1 11 . 1 1 89 89 GLU N N 89 122.000 122.000 121.226 0.774 19749 6085 1 11 . 1 1 89 89 GLU HA H 89 3.930 3.930 3.995 -0.065 19749 6086 1 11 . 1 1 89 89 GLU C C 89 177.600 177.600 178.389 -0.789 19749 6087 1 11 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.351 0.549 19749 6088 1 11 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.119 1.881 19749 6089 1 11 . 1 1 89 89 GLU H H 89 7.670 7.670 7.519 0.150 19749 6090 1 11 . 1 1 90 90 LEU N N 90 122.300 122.300 120.117 2.183 19749 6091 1 11 . 1 1 90 90 LEU HA H 90 2.430 2.430 1.871 0.559 19749 6092 1 11 . 1 1 90 90 LEU C C 90 177.200 177.200 177.883 -0.683 19749 6093 1 11 . 1 1 90 90 LEU CA C 90 58.700 58.700 56.843 1.857 19749 6094 1 11 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.341 0.759 19749 6095 1 11 . 1 1 90 90 LEU H H 90 6.880 6.880 6.820 0.060 19749 6096 1 11 . 1 1 91 91 ILE N N 91 118.800 118.800 116.995 1.805 19749 6097 1 11 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.536 -0.426 19749 6098 1 11 . 1 1 91 91 ILE C C 91 177.700 177.700 178.149 -0.449 19749 6099 1 11 . 1 1 91 91 ILE CA C 91 61.400 61.400 61.913 -0.513 19749 6100 1 11 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.182 -0.782 19749 6101 1 11 . 1 1 91 91 ILE H H 91 7.880 7.880 7.370 0.510 19749 6102 1 11 . 1 1 92 92 GLY N N 92 103.900 103.900 108.759 -4.859 19749 6103 1 11 . 1 1 92 92 GLY C C 92 176.400 176.400 175.590 0.810 19749 6104 1 11 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.846 -0.046 19749 6105 1 11 . 1 1 92 92 GLY H H 92 7.570 7.570 7.501 0.069 19749 6106 1 11 . 1 1 93 93 LEU N N 93 123.200 123.200 121.725 1.475 19749 6107 1 11 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.287 -0.207 19749 6108 1 11 . 1 1 93 93 LEU C C 93 179.100 179.100 178.792 0.308 19749 6109 1 11 . 1 1 93 93 LEU CA C 93 57.400 57.400 56.911 0.489 19749 6110 1 11 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.692 -1.892 19749 6111 1 11 . 1 1 93 93 LEU H H 93 7.360 7.360 7.524 -0.164 19749 6112 1 11 . 1 1 94 94 TYR N N 94 114.000 114.000 118.261 -4.261 19749 6113 1 11 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.396 -0.166 19749 6114 1 11 . 1 1 94 94 TYR C C 94 175.600 175.600 177.240 -1.640 19749 6115 1 11 . 1 1 94 94 TYR CA C 94 60.200 60.200 57.726 2.474 19749 6116 1 11 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.915 -0.315 19749 6117 1 11 . 1 1 94 94 TYR H H 94 7.380 7.380 7.720 -0.340 19749 6118 1 11 . 1 1 95 95 ALA N N 95 123.100 123.100 118.795 4.305 19749 6119 1 11 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.423 -0.063 19749 6120 1 11 . 1 1 95 95 ALA C C 95 177.300 177.300 176.798 0.502 19749 6121 1 11 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.499 1.401 19749 6122 1 11 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.726 0.274 19749 6123 1 11 . 1 1 95 95 ALA H H 95 7.330 7.330 7.322 0.008 19749 6124 1 11 . 1 1 96 96 GLN N N 96 116.500 116.500 117.516 -1.016 19749 6125 1 11 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.665 -0.125 19749 6126 1 11 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.114 0.886 19749 6127 1 11 . 1 1 96 96 GLN CB C 96 28.600 28.600 29.457 -0.857 19749 6128 1 11 . 1 1 96 96 GLN H H 96 7.620 7.620 7.182 0.438 19749 6129 1 11 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.190 0.050 19749 6130 1 11 . 1 1 97 97 PRO C C 97 176.800 176.800 175.900 0.900 19749 6131 1 11 . 1 1 97 97 PRO CA C 97 62.800 62.800 64.652 -1.852 19749 6132 1 11 . 1 1 97 97 PRO CB C 97 32.800 32.800 31.332 1.468 19749 6133 1 11 . 1 1 98 98 ASN N N 98 114.900 114.900 122.447 -7.547 19749 6134 1 11 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.540 -0.060 19749 6135 1 11 . 1 1 98 98 ASN C C 98 175.100 175.100 174.171 0.929 19749 6136 1 11 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.280 1.020 19749 6137 1 11 . 1 1 98 98 ASN CB C 98 36.900 36.900 39.356 -2.456 19749 6138 1 11 . 1 1 98 98 ASN H H 98 8.960 8.960 8.626 0.334 19749 6139 1 11 . 1 1 99 99 GLN N N 99 115.400 115.400 113.988 1.412 19749 6140 1 11 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.136 0.364 19749 6141 1 11 . 1 1 99 99 GLN C C 99 176.100 176.100 174.274 1.826 19749 6142 1 11 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.850 -1.550 19749 6143 1 11 . 1 1 99 99 GLN CB C 99 29.600 29.600 28.937 0.663 19749 6144 1 11 . 1 1 99 99 GLN H H 99 8.610 8.610 7.969 0.641 19749 6145 1 11 . 1 1 100 100 GLY N N 100 107.400 107.400 107.217 0.183 19749 6146 1 11 . 1 1 100 100 GLY C C 100 174.600 174.600 173.306 1.294 19749 6147 1 11 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.001 0.399 19749 6148 1 11 . 1 1 100 100 GLY H H 100 8.460 8.460 8.328 0.132 19749 6149 1 11 . 1 1 101 101 LEU N N 101 118.400 118.400 121.149 -2.749 19749 6150 1 11 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.455 -0.075 19749 6151 1 11 . 1 1 101 101 LEU C C 101 178.000 178.000 178.370 -0.370 19749 6152 1 11 . 1 1 101 101 LEU CA C 101 52.900 52.900 53.975 -1.075 19749 6153 1 11 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.123 0.277 19749 6154 1 11 . 1 1 101 101 LEU H H 101 8.020 8.020 7.337 0.683 19749 6155 1 11 . 1 1 102 102 VAL N N 102 114.700 114.700 125.206 -10.506 19749 6156 1 11 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.884 -0.294 19749 6157 1 11 . 1 1 102 102 VAL C C 102 173.600 173.600 175.906 -2.306 19749 6158 1 11 . 1 1 102 102 VAL CA C 102 63.600 63.600 65.092 -1.492 19749 6159 1 11 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.444 -1.343 19749 6160 1 11 . 1 1 102 102 VAL H H 102 7.260 7.260 8.576 -1.316 19749 6161 1 11 . 1 1 103 103 CYS N N 103 112.400 112.400 112.910 -0.510 19749 6162 1 11 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.346 -0.106 19749 6163 1 11 . 1 1 103 103 CYS C C 103 170.600 170.600 173.643 -3.043 19749 6164 1 11 . 1 1 103 103 CYS CA C 103 56.100 56.100 56.643 -0.543 19749 6165 1 11 . 1 1 103 103 CYS CB C 103 29.600 29.600 27.238 2.362 19749 6166 1 11 . 1 1 103 103 CYS H H 103 6.920 6.920 7.776 -0.856 19749 6167 1 11 . 1 1 104 104 ALA N N 104 119.600 119.600 121.946 -2.346 19749 6168 1 11 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.828 0.382 19749 6169 1 11 . 1 1 104 104 ALA C C 104 176.300 176.300 175.786 0.514 19749 6170 1 11 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.495 -0.895 19749 6171 1 11 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.369 1.031 19749 6172 1 11 . 1 1 104 104 ALA H H 104 7.840 7.840 7.574 0.266 19749 6173 1 11 . 1 1 105 105 LEU N N 105 117.100 117.100 119.987 -2.887 19749 6174 1 11 . 1 1 105 105 LEU HA H 105 3.780 3.780 4.064 -0.284 19749 6175 1 11 . 1 1 105 105 LEU C C 105 175.400 175.400 176.537 -1.137 19749 6176 1 11 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.227 -0.627 19749 6177 1 11 . 1 1 105 105 LEU CB C 105 37.400 37.400 40.558 -3.158 19749 6178 1 11 . 1 1 105 105 LEU H H 105 7.610 7.610 8.086 -0.476 19749 6179 1 11 . 1 1 106 106 LEU N N 106 124.700 124.700 128.021 -3.321 19749 6180 1 11 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.716 -0.116 19749 6181 1 11 . 1 1 106 106 LEU C C 106 177.600 177.600 176.193 1.407 19749 6182 1 11 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.886 0.413 19749 6183 1 11 . 1 1 106 106 LEU CB C 106 46.000 46.000 44.436 1.564 19749 6184 1 11 . 1 1 106 106 LEU H H 106 8.160 8.160 8.772 -0.612 19749 6185 1 11 . 1 1 107 107 LEU N N 107 121.400 121.400 121.567 -0.167 19749 6186 1 11 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.992 0.118 19749 6187 1 11 . 1 1 107 107 LEU CA C 107 51.700 51.700 51.678 0.022 19749 6188 1 11 . 1 1 107 107 LEU CB C 107 44.600 44.600 44.318 0.282 19749 6189 1 11 . 1 1 107 107 LEU H H 107 7.930 7.930 8.108 -0.178 19749 6190 1 11 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.019 -0.589 19749 6191 1 11 . 1 1 108 108 PRO C C 108 176.500 176.500 176.014 0.486 19749 6192 1 11 . 1 1 108 108 PRO CA C 108 62.400 62.400 61.884 0.516 19749 6193 1 11 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.861 0.939 19749 6194 1 12 . 1 1 10 10 HIS C C 10 175.000 175.000 173.828 1.172 19749 6195 1 12 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.576 0.324 19749 6196 1 12 . 1 1 10 10 HIS CB C 10 29.900 29.900 29.863 0.037 19749 6197 1 12 . 1 1 11 11 MET N N 11 120.400 120.400 123.050 -2.650 19749 6198 1 12 . 1 1 11 11 MET HA H 11 4.000 4.000 4.377 -0.377 19749 6199 1 12 . 1 1 11 11 MET C C 11 177.500 177.500 175.915 1.585 19749 6200 1 12 . 1 1 11 11 MET CA C 11 54.100 54.100 54.601 -0.501 19749 6201 1 12 . 1 1 11 11 MET CB C 11 31.500 31.500 31.189 0.311 19749 6202 1 12 . 1 1 11 11 MET H H 11 7.800 7.800 8.415 -0.615 19749 6203 1 12 . 1 1 12 12 SER N N 12 118.600 118.600 119.133 -0.533 19749 6204 1 12 . 1 1 12 12 SER HA H 12 3.860 3.860 4.041 -0.181 19749 6205 1 12 . 1 1 12 12 SER C C 12 173.900 173.900 174.182 -0.282 19749 6206 1 12 . 1 1 12 12 SER CA C 12 61.200 61.200 56.532 4.668 19749 6207 1 12 . 1 1 12 12 SER CB C 12 62.500 62.500 62.698 -0.198 19749 6208 1 12 . 1 1 12 12 SER H H 12 8.520 8.520 7.884 0.636 19749 6209 1 12 . 1 1 13 13 TRP N N 13 113.400 113.400 124.079 -10.679 19749 6210 1 12 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.486 0.404 19749 6211 1 12 . 1 1 13 13 TRP C C 13 176.000 176.000 175.962 0.038 19749 6212 1 12 . 1 1 13 13 TRP CA C 13 53.800 53.800 57.051 -3.251 19749 6213 1 12 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.575 0.526 19749 6214 1 12 . 1 1 13 13 TRP H H 13 6.180 6.180 6.898 -0.718 19749 6215 1 12 . 1 1 14 14 TYR N N 14 123.200 123.200 123.572 -0.372 19749 6216 1 12 . 1 1 14 14 TYR HA H 14 5.570 5.570 4.662 0.908 19749 6217 1 12 . 1 1 14 14 TYR C C 14 174.700 174.700 174.027 0.673 19749 6218 1 12 . 1 1 14 14 TYR CA C 14 56.000 56.000 58.424 -2.424 19749 6219 1 12 . 1 1 14 14 TYR CB C 14 37.900 37.900 38.340 -0.440 19749 6220 1 12 . 1 1 14 14 TYR H H 14 7.430 7.430 7.590 -0.160 19749 6221 1 12 . 1 1 15 15 HIS N N 15 126.900 126.900 126.904 -0.004 19749 6222 1 12 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.672 -0.122 19749 6223 1 12 . 1 1 15 15 HIS C C 15 173.300 173.300 173.940 -0.640 19749 6224 1 12 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.472 -1.372 19749 6225 1 12 . 1 1 15 15 HIS CB C 15 30.400 30.400 31.371 -0.971 19749 6226 1 12 . 1 1 15 15 HIS H H 15 8.680 8.680 8.407 0.273 19749 6227 1 12 . 1 1 16 16 ARG N N 16 122.500 122.500 125.587 -3.087 19749 6228 1 12 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.965 -0.015 19749 6229 1 12 . 1 1 16 16 ARG C C 16 176.100 176.100 176.356 -0.256 19749 6230 1 12 . 1 1 16 16 ARG CA C 16 57.300 57.300 57.978 -0.679 19749 6231 1 12 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.571 -0.471 19749 6232 1 12 . 1 1 16 16 ARG H H 16 7.740 7.740 7.795 -0.055 19749 6233 1 12 . 1 1 17 17 ASP N N 17 119.100 119.100 118.343 0.757 19749 6234 1 12 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.309 0.211 19749 6235 1 12 . 1 1 17 17 ASP C C 17 174.900 174.900 174.749 0.151 19749 6236 1 12 . 1 1 17 17 ASP CA C 17 54.800 54.800 55.699 -0.899 19749 6237 1 12 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.350 -0.450 19749 6238 1 12 . 1 1 17 17 ASP H H 17 8.900 8.900 8.711 0.189 19749 6239 1 12 . 1 1 18 18 LEU N N 18 121.000 121.000 122.451 -1.451 19749 6240 1 12 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.493 0.017 19749 6241 1 12 . 1 1 18 18 LEU C C 18 176.300 176.300 175.884 0.416 19749 6242 1 12 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.802 -0.302 19749 6243 1 12 . 1 1 18 18 LEU CB C 18 44.800 44.800 42.761 2.039 19749 6244 1 12 . 1 1 18 18 LEU H H 18 7.280 7.280 7.406 -0.126 19749 6245 1 12 . 1 1 19 19 SER N N 19 123.400 123.400 119.086 4.314 19749 6246 1 12 . 1 1 19 19 SER HA H 19 4.440 4.440 4.633 -0.193 19749 6247 1 12 . 1 1 19 19 SER C C 19 173.900 173.900 175.638 -1.738 19749 6248 1 12 . 1 1 19 19 SER CA C 19 57.700 57.700 57.486 0.214 19749 6249 1 12 . 1 1 19 19 SER CB C 19 65.200 65.200 64.622 0.578 19749 6250 1 12 . 1 1 19 19 SER H H 19 8.650 8.650 8.508 0.142 19749 6251 1 12 . 1 1 20 20 ARG N N 20 121.700 121.700 123.000 -1.300 19749 6252 1 12 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.958 -0.248 19749 6253 1 12 . 1 1 20 20 ARG C C 20 178.200 178.200 178.130 0.070 19749 6254 1 12 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.760 0.840 19749 6255 1 12 . 1 1 20 20 ARG CB C 20 30.100 30.100 29.616 0.484 19749 6256 1 12 . 1 1 20 20 ARG H H 20 8.970 8.970 8.845 0.125 19749 6257 1 12 . 1 1 21 21 ALA N N 21 119.900 119.900 123.085 -3.185 19749 6258 1 12 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.333 -0.293 19749 6259 1 12 . 1 1 21 21 ALA C C 21 180.600 180.600 180.285 0.315 19749 6260 1 12 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.941 0.259 19749 6261 1 12 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.042 0.258 19749 6262 1 12 . 1 1 21 21 ALA H H 21 8.670 8.670 8.546 0.124 19749 6263 1 12 . 1 1 22 22 ALA N N 22 121.000 121.000 120.735 0.265 19749 6264 1 12 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.140 -0.010 19749 6265 1 12 . 1 1 22 22 ALA C C 22 180.900 180.900 179.627 1.273 19749 6266 1 12 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.515 0.185 19749 6267 1 12 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.156 0.844 19749 6268 1 12 . 1 1 22 22 ALA H H 22 7.890 7.890 8.352 -0.462 19749 6269 1 12 . 1 1 23 23 ALA N N 23 121.700 121.700 121.949 -0.249 19749 6270 1 12 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.019 -0.139 19749 6271 1 12 . 1 1 23 23 ALA C C 23 178.700 178.700 179.881 -1.181 19749 6272 1 12 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.121 -0.021 19749 6273 1 12 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.356 0.844 19749 6274 1 12 . 1 1 23 23 ALA H H 23 8.570 8.570 8.012 0.558 19749 6275 1 12 . 1 1 24 24 GLU N N 24 116.500 116.500 117.969 -1.469 19749 6276 1 12 . 1 1 24 24 GLU HA H 24 3.760 3.760 4.000 -0.240 19749 6277 1 12 . 1 1 24 24 GLU C C 24 178.900 178.900 179.179 -0.279 19749 6278 1 12 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.062 1.438 19749 6279 1 12 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.430 -0.930 19749 6280 1 12 . 1 1 24 24 GLU H H 24 8.200 8.200 8.278 -0.078 19749 6281 1 12 . 1 1 25 25 GLU N N 25 120.000 120.000 121.068 -1.068 19749 6282 1 12 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.093 -0.033 19749 6283 1 12 . 1 1 25 25 GLU C C 25 178.400 178.400 178.785 -0.385 19749 6284 1 12 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.982 0.418 19749 6285 1 12 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.288 0.212 19749 6286 1 12 . 1 1 25 25 GLU H H 25 7.690 7.690 7.733 -0.043 19749 6287 1 12 . 1 1 26 26 LEU N N 26 120.200 120.200 119.353 0.847 19749 6288 1 12 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.043 -0.133 19749 6289 1 12 . 1 1 26 26 LEU C C 26 180.200 180.200 179.356 0.844 19749 6290 1 12 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.419 0.781 19749 6291 1 12 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.777 0.623 19749 6292 1 12 . 1 1 26 26 LEU H H 26 7.840 7.840 7.871 -0.031 19749 6293 1 12 . 1 1 27 27 LEU N N 27 117.800 117.800 120.240 -2.440 19749 6294 1 12 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.989 -0.009 19749 6295 1 12 . 1 1 27 27 LEU C C 27 177.800 177.800 178.921 -1.121 19749 6296 1 12 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.976 -0.376 19749 6297 1 12 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.454 0.446 19749 6298 1 12 . 1 1 27 27 LEU H H 27 7.960 7.960 8.182 -0.223 19749 6299 1 12 . 1 1 28 28 ALA N N 28 120.600 120.600 119.521 1.079 19749 6300 1 12 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.120 -0.220 19749 6301 1 12 . 1 1 28 28 ALA C C 28 180.900 180.900 179.776 1.124 19749 6302 1 12 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.553 0.647 19749 6303 1 12 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.493 -0.593 19749 6304 1 12 . 1 1 28 28 ALA H H 28 8.160 8.160 8.147 0.013 19749 6305 1 12 . 1 1 29 29 ARG N N 29 116.200 116.200 119.366 -3.166 19749 6306 1 12 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.136 -0.176 19749 6307 1 12 . 1 1 29 29 ARG C C 29 178.000 178.000 177.982 0.018 19749 6308 1 12 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.342 0.258 19749 6309 1 12 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.099 0.201 19749 6310 1 12 . 1 1 29 29 ARG H H 29 7.760 7.760 7.913 -0.153 19749 6311 1 12 . 1 1 30 30 ALA N N 30 123.200 123.200 120.538 2.662 19749 6312 1 12 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.361 -0.161 19749 6313 1 12 . 1 1 30 30 ALA C C 30 182.000 182.000 179.517 2.483 19749 6314 1 12 . 1 1 30 30 ALA CA C 30 54.900 54.900 54.459 0.441 19749 6315 1 12 . 1 1 30 30 ALA CB C 30 18.700 18.700 18.454 0.246 19749 6316 1 12 . 1 1 30 30 ALA H H 30 7.580 7.580 8.078 -0.498 19749 6317 1 12 . 1 1 31 31 GLY N N 31 102.400 102.400 105.506 -3.106 19749 6318 1 12 . 1 1 31 31 GLY C C 31 174.800 174.800 175.091 -0.291 19749 6319 1 12 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.601 3.499 19749 6320 1 12 . 1 1 31 31 GLY H H 31 7.690 7.690 7.797 -0.107 19749 6321 1 12 . 1 1 32 32 ARG N N 32 121.100 121.100 118.808 2.292 19749 6322 1 12 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.008 0.452 19749 6323 1 12 . 1 1 32 32 ARG C C 32 176.500 176.500 174.399 2.101 19749 6324 1 12 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.616 -2.216 19749 6325 1 12 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.596 3.005 19749 6326 1 12 . 1 1 32 32 ARG H H 32 7.040 7.040 8.351 -1.311 19749 6327 1 12 . 1 1 33 33 ASP N N 33 126.100 126.100 117.678 8.422 19749 6328 1 12 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.645 0.125 19749 6329 1 12 . 1 1 33 33 ASP C C 33 176.800 176.800 175.616 1.184 19749 6330 1 12 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.808 1.192 19749 6331 1 12 . 1 1 33 33 ASP CB C 33 41.000 41.000 42.192 -1.192 19749 6332 1 12 . 1 1 33 33 ASP H H 33 9.110 9.110 7.592 1.518 19749 6333 1 12 . 1 1 34 34 GLY N N 34 109.400 109.400 112.226 -2.826 19749 6334 1 12 . 1 1 34 34 GLY C C 34 175.800 175.800 174.546 1.254 19749 6335 1 12 . 1 1 34 34 GLY CA C 34 46.000 46.000 46.089 -0.089 19749 6336 1 12 . 1 1 34 34 GLY H H 34 9.440 9.440 8.152 1.288 19749 6337 1 12 . 1 1 35 35 SER N N 35 120.400 120.400 115.857 4.543 19749 6338 1 12 . 1 1 35 35 SER HA H 35 5.990 5.990 5.404 0.586 19749 6339 1 12 . 1 1 35 35 SER C C 35 173.400 173.400 173.968 -0.568 19749 6340 1 12 . 1 1 35 35 SER CA C 35 59.800 59.800 57.415 2.385 19749 6341 1 12 . 1 1 35 35 SER CB C 35 63.700 63.700 63.967 -0.267 19749 6342 1 12 . 1 1 35 35 SER H H 35 8.050 8.050 7.464 0.586 19749 6343 1 12 . 1 1 36 36 PHE N N 36 122.000 122.000 119.904 2.096 19749 6344 1 12 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.851 0.189 19749 6345 1 12 . 1 1 36 36 PHE C C 36 170.900 170.900 173.694 -2.794 19749 6346 1 12 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.451 0.849 19749 6347 1 12 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.064 1.336 19749 6348 1 12 . 1 1 36 36 PHE H H 36 8.730 8.730 8.312 0.418 19749 6349 1 12 . 1 1 37 37 LEU N N 37 112.500 112.500 116.238 -3.738 19749 6350 1 12 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.233 -0.183 19749 6351 1 12 . 1 1 37 37 LEU C C 37 175.100 175.100 174.830 0.270 19749 6352 1 12 . 1 1 37 37 LEU CA C 37 54.500 54.500 53.702 0.798 19749 6353 1 12 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.315 -0.115 19749 6354 1 12 . 1 1 37 37 LEU H H 37 9.000 9.000 9.054 -0.054 19749 6355 1 12 . 1 1 38 38 VAL N N 38 120.200 120.200 118.572 1.628 19749 6356 1 12 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.316 0.164 19749 6357 1 12 . 1 1 38 38 VAL C C 38 173.600 173.600 176.011 -2.411 19749 6358 1 12 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.808 0.392 19749 6359 1 12 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.742 0.459 19749 6360 1 12 . 1 1 38 38 VAL H H 38 9.830 9.830 8.347 1.483 19749 6361 1 12 . 1 1 39 39 ARG N N 39 124.000 124.000 120.781 3.219 19749 6362 1 12 . 1 1 39 39 ARG HA H 39 5.520 5.520 4.905 0.615 19749 6363 1 12 . 1 1 39 39 ARG C C 39 174.700 174.700 174.426 0.274 19749 6364 1 12 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.846 -1.046 19749 6365 1 12 . 1 1 39 39 ARG CB C 39 34.200 34.200 35.224 -1.024 19749 6366 1 12 . 1 1 39 39 ARG H H 39 9.240 9.240 9.179 0.061 19749 6367 1 12 . 1 1 40 40 ASP N N 40 122.800 122.800 120.356 2.444 19749 6368 1 12 . 1 1 40 40 ASP HA H 40 4.950 4.950 4.810 0.140 19749 6369 1 12 . 1 1 40 40 ASP C C 40 176.500 176.500 176.228 0.272 19749 6370 1 12 . 1 1 40 40 ASP CA C 40 55.900 55.900 54.173 1.726 19749 6371 1 12 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.995 -1.095 19749 6372 1 12 . 1 1 40 40 ASP H H 40 9.060 9.060 8.453 0.607 19749 6373 1 12 . 1 1 41 41 SER N N 41 113.600 113.600 119.746 -6.146 19749 6374 1 12 . 1 1 41 41 SER HA H 41 4.200 4.200 4.433 -0.233 19749 6375 1 12 . 1 1 41 41 SER C C 41 175.700 175.700 175.219 0.481 19749 6376 1 12 . 1 1 41 41 SER CA C 41 58.400 58.400 59.279 -0.879 19749 6377 1 12 . 1 1 41 41 SER CB C 41 63.900 63.900 63.978 -0.078 19749 6378 1 12 . 1 1 41 41 SER H H 41 7.870 7.870 8.055 -0.185 19749 6379 1 12 . 1 1 42 42 GLU N N 42 127.200 127.200 123.106 4.094 19749 6380 1 12 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.466 -0.076 19749 6381 1 12 . 1 1 42 42 GLU C C 42 176.500 176.500 176.102 0.398 19749 6382 1 12 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.950 0.750 19749 6383 1 12 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.821 -0.321 19749 6384 1 12 . 1 1 42 42 GLU H H 42 9.600 9.600 8.694 0.906 19749 6385 1 12 . 1 1 43 43 SER N N 43 113.400 113.400 114.652 -1.252 19749 6386 1 12 . 1 1 43 43 SER HA H 43 4.590 4.590 4.495 0.095 19749 6387 1 12 . 1 1 43 43 SER C C 43 174.000 174.000 173.753 0.247 19749 6388 1 12 . 1 1 43 43 SER CA C 43 59.400 59.400 58.227 1.173 19749 6389 1 12 . 1 1 43 43 SER CB C 43 65.100 65.100 64.005 1.095 19749 6390 1 12 . 1 1 43 43 SER H H 43 8.110 8.110 8.029 0.081 19749 6391 1 12 . 1 1 44 44 VAL N N 44 123.200 123.200 120.010 3.190 19749 6392 1 12 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.416 -0.276 19749 6393 1 12 . 1 1 44 44 VAL C C 44 174.800 174.800 175.927 -1.127 19749 6394 1 12 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.454 0.246 19749 6395 1 12 . 1 1 44 44 VAL CB C 44 33.700 33.700 32.379 1.321 19749 6396 1 12 . 1 1 44 44 VAL H H 44 7.620 7.620 7.898 -0.278 19749 6397 1 12 . 1 1 45 45 ALA N N 45 130.900 130.900 131.093 -0.193 19749 6398 1 12 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.011 0.139 19749 6399 1 12 . 1 1 45 45 ALA C C 45 178.700 178.700 177.770 0.930 19749 6400 1 12 . 1 1 45 45 ALA CA C 45 53.700 53.700 53.846 -0.146 19749 6401 1 12 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.253 -0.153 19749 6402 1 12 . 1 1 45 45 ALA H H 45 8.480 8.480 8.800 -0.320 19749 6403 1 12 . 1 1 46 46 GLY N N 46 111.400 111.400 107.397 4.003 19749 6404 1 12 . 1 1 46 46 GLY C C 46 171.700 171.700 173.131 -1.431 19749 6405 1 12 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.778 0.622 19749 6406 1 12 . 1 1 46 46 GLY H H 46 8.600 8.600 8.426 0.174 19749 6407 1 12 . 1 1 47 47 ALA N N 47 117.600 117.600 124.003 -6.403 19749 6408 1 12 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.684 0.196 19749 6409 1 12 . 1 1 47 47 ALA C C 47 177.200 177.200 175.275 1.925 19749 6410 1 12 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.629 -0.829 19749 6411 1 12 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.949 -0.249 19749 6412 1 12 . 1 1 47 47 ALA H H 47 7.340 7.340 7.471 -0.131 19749 6413 1 12 . 1 1 48 48 PHE N N 48 117.100 117.100 116.572 0.528 19749 6414 1 12 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.390 -0.020 19749 6415 1 12 . 1 1 48 48 PHE C C 48 174.100 174.100 174.844 -0.744 19749 6416 1 12 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.450 0.050 19749 6417 1 12 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.501 0.399 19749 6418 1 12 . 1 1 48 48 PHE H H 48 9.160 9.160 8.447 0.713 19749 6419 1 12 . 1 1 49 49 ALA N N 49 125.600 125.600 122.100 3.500 19749 6420 1 12 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.451 -0.261 19749 6421 1 12 . 1 1 49 49 ALA C C 49 174.900 174.900 175.256 -0.356 19749 6422 1 12 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.065 1.135 19749 6423 1 12 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.485 -2.084 19749 6424 1 12 . 1 1 49 49 ALA H H 49 9.630 9.630 9.011 0.619 19749 6425 1 12 . 1 1 50 50 LEU N N 50 127.100 127.100 124.003 3.097 19749 6426 1 12 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.261 -0.191 19749 6427 1 12 . 1 1 50 50 LEU C C 50 174.500 174.500 174.798 -0.298 19749 6428 1 12 . 1 1 50 50 LEU CA C 50 54.000 54.000 54.253 -0.253 19749 6429 1 12 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.949 -2.049 19749 6430 1 12 . 1 1 50 50 LEU H H 50 9.350 9.350 8.710 0.640 19749 6431 1 12 . 1 1 51 51 CYS N N 51 127.300 127.300 128.194 -0.894 19749 6432 1 12 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.018 0.392 19749 6433 1 12 . 1 1 51 51 CYS C C 51 173.000 173.000 172.947 0.053 19749 6434 1 12 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.487 0.713 19749 6435 1 12 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.894 1.506 19749 6436 1 12 . 1 1 51 51 CYS H H 51 9.300 9.300 9.167 0.133 19749 6437 1 12 . 1 1 52 52 VAL N N 52 123.100 123.100 128.292 -5.192 19749 6438 1 12 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.915 0.244 19749 6439 1 12 . 1 1 52 52 VAL C C 52 173.800 173.800 173.747 0.053 19749 6440 1 12 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.628 -0.728 19749 6441 1 12 . 1 1 52 52 VAL CB C 52 36.300 36.300 35.340 0.960 19749 6442 1 12 . 1 1 52 52 VAL H H 52 9.460 9.460 8.704 0.756 19749 6443 1 12 . 1 1 53 53 LEU N N 53 130.700 130.700 127.007 3.693 19749 6444 1 12 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.568 -0.588 19749 6445 1 12 . 1 1 53 53 LEU C C 53 175.200 175.200 174.340 0.860 19749 6446 1 12 . 1 1 53 53 LEU CA C 53 54.000 54.000 52.731 1.269 19749 6447 1 12 . 1 1 53 53 LEU CB C 53 45.300 45.300 45.481 -0.181 19749 6448 1 12 . 1 1 53 53 LEU H H 53 9.320 9.320 8.714 0.606 19749 6449 1 12 . 1 1 54 54 TYR N N 54 125.700 125.700 123.826 1.874 19749 6450 1 12 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.770 0.140 19749 6451 1 12 . 1 1 54 54 TYR C C 54 175.400 175.400 174.564 0.836 19749 6452 1 12 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.326 0.374 19749 6453 1 12 . 1 1 54 54 TYR CB C 54 41.700 41.700 41.256 0.444 19749 6454 1 12 . 1 1 54 54 TYR H H 54 9.260 9.260 8.267 0.993 19749 6455 1 12 . 1 1 55 55 GLN N N 55 129.900 129.900 128.054 1.846 19749 6456 1 12 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.762 -0.062 19749 6457 1 12 . 1 1 55 55 GLN C C 55 175.900 175.900 175.024 0.876 19749 6458 1 12 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.650 0.050 19749 6459 1 12 . 1 1 55 55 GLN CB C 55 25.600 25.600 27.392 -1.792 19749 6460 1 12 . 1 1 55 55 GLN H H 55 9.750 9.750 8.842 0.908 19749 6461 1 12 . 1 1 56 56 LYS N N 56 107.600 107.600 113.919 -6.319 19749 6462 1 12 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.800 -0.360 19749 6463 1 12 . 1 1 56 56 LYS C C 56 174.800 174.800 174.987 -0.187 19749 6464 1 12 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.426 0.974 19749 6465 1 12 . 1 1 56 56 LYS CB C 56 29.800 29.800 30.719 -0.919 19749 6466 1 12 . 1 1 56 56 LYS H H 56 8.920 8.920 8.577 0.343 19749 6467 1 12 . 1 1 57 57 HIS N N 57 118.200 118.200 117.730 0.470 19749 6468 1 12 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.782 0.118 19749 6469 1 12 . 1 1 57 57 HIS C C 57 173.400 173.400 173.913 -0.513 19749 6470 1 12 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.591 -0.291 19749 6471 1 12 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.401 0.499 19749 6472 1 12 . 1 1 57 57 HIS H H 57 7.980 7.980 7.860 0.120 19749 6473 1 12 . 1 1 58 58 VAL N N 58 124.500 124.500 127.087 -2.587 19749 6474 1 12 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.830 -0.490 19749 6475 1 12 . 1 1 58 58 VAL C C 58 175.700 175.700 175.455 0.245 19749 6476 1 12 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.859 1.241 19749 6477 1 12 . 1 1 58 58 VAL CB C 58 32.000 32.000 31.985 0.015 19749 6478 1 12 . 1 1 58 58 VAL H H 58 8.800 8.800 8.579 0.221 19749 6479 1 12 . 1 1 59 59 HIS N N 59 132.200 132.200 128.934 3.266 19749 6480 1 12 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.779 -0.259 19749 6481 1 12 . 1 1 59 59 HIS C C 59 174.100 174.100 173.757 0.343 19749 6482 1 12 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.083 1.617 19749 6483 1 12 . 1 1 59 59 HIS CB C 59 32.200 32.200 32.986 -0.786 19749 6484 1 12 . 1 1 59 59 HIS H H 59 9.830 9.830 8.926 0.904 19749 6485 1 12 . 1 1 60 60 THR N N 60 119.300 119.300 121.837 -2.537 19749 6486 1 12 . 1 1 60 60 THR HA H 60 5.280 5.280 5.033 0.247 19749 6487 1 12 . 1 1 60 60 THR C C 60 173.700 173.700 173.172 0.528 19749 6488 1 12 . 1 1 60 60 THR CA C 60 62.100 62.100 60.782 1.318 19749 6489 1 12 . 1 1 60 60 THR CB C 60 70.300 70.300 70.426 -0.126 19749 6490 1 12 . 1 1 60 60 THR H H 60 8.420 8.420 8.245 0.175 19749 6491 1 12 . 1 1 61 61 TYR N N 61 127.000 127.000 122.986 4.014 19749 6492 1 12 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.745 0.055 19749 6493 1 12 . 1 1 61 61 TYR C C 61 175.000 175.000 174.882 0.118 19749 6494 1 12 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.411 0.089 19749 6495 1 12 . 1 1 61 61 TYR CB C 61 40.900 40.900 42.056 -1.156 19749 6496 1 12 . 1 1 61 61 TYR H H 61 9.810 9.810 8.564 1.246 19749 6497 1 12 . 1 1 62 62 ARG N N 62 124.200 124.200 119.254 4.946 19749 6498 1 12 . 1 1 62 62 ARG HA H 62 4.710 4.710 5.210 -0.500 19749 6499 1 12 . 1 1 62 62 ARG C C 62 175.000 175.000 175.512 -0.512 19749 6500 1 12 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.482 1.418 19749 6501 1 12 . 1 1 62 62 ARG CB C 62 31.500 31.500 33.079 -1.579 19749 6502 1 12 . 1 1 62 62 ARG H H 62 9.240 9.240 8.849 0.391 19749 6503 1 12 . 1 1 63 63 ILE N N 63 124.100 124.100 121.014 3.086 19749 6504 1 12 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.731 0.029 19749 6505 1 12 . 1 1 63 63 ILE C C 63 174.900 174.900 174.571 0.329 19749 6506 1 12 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.995 -0.495 19749 6507 1 12 . 1 1 63 63 ILE CB C 63 39.600 39.600 40.196 -0.596 19749 6508 1 12 . 1 1 63 63 ILE H H 63 8.810 8.810 8.252 0.558 19749 6509 1 12 . 1 1 64 64 LEU N N 64 126.200 126.200 128.704 -2.504 19749 6510 1 12 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.051 0.149 19749 6511 1 12 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.988 -0.388 19749 6512 1 12 . 1 1 64 64 LEU CB C 64 44.200 44.200 42.942 1.258 19749 6513 1 12 . 1 1 64 64 LEU H H 64 8.660 8.660 8.425 0.235 19749 6514 1 12 . 1 1 65 65 PRO HA H 65 5.230 5.230 5.203 0.027 19749 6515 1 12 . 1 1 65 65 PRO C C 65 177.000 177.000 176.694 0.306 19749 6516 1 12 . 1 1 65 65 PRO CA C 65 62.500 62.500 62.403 0.097 19749 6517 1 12 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.552 -0.252 19749 6518 1 12 . 1 1 66 66 ASP N N 66 124.500 124.500 116.752 7.748 19749 6519 1 12 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.617 0.283 19749 6520 1 12 . 1 1 66 66 ASP C C 66 177.200 177.200 177.112 0.088 19749 6521 1 12 . 1 1 66 66 ASP CA C 66 52.600 52.600 54.281 -1.681 19749 6522 1 12 . 1 1 66 66 ASP CB C 66 43.000 43.000 41.363 1.637 19749 6523 1 12 . 1 1 66 66 ASP H H 66 8.650 8.650 8.312 0.338 19749 6524 1 12 . 1 1 67 67 GLY N N 67 108.300 108.300 107.449 0.851 19749 6525 1 12 . 1 1 67 67 GLY C C 67 174.700 174.700 173.777 0.923 19749 6526 1 12 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.322 0.578 19749 6527 1 12 . 1 1 67 67 GLY H H 67 8.420 8.420 8.598 -0.178 19749 6528 1 12 . 1 1 68 68 GLU N N 68 120.300 120.300 119.667 0.633 19749 6529 1 12 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.249 0.091 19749 6530 1 12 . 1 1 68 68 GLU C C 68 176.100 176.100 174.312 1.788 19749 6531 1 12 . 1 1 68 68 GLU CA C 68 56.800 56.800 54.933 1.867 19749 6532 1 12 . 1 1 68 68 GLU CB C 68 30.300 30.300 32.007 -1.707 19749 6533 1 12 . 1 1 68 68 GLU H H 68 8.580 8.580 7.659 0.921 19749 6534 1 12 . 1 1 69 69 ASP N N 69 115.000 115.000 123.792 -8.792 19749 6535 1 12 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.527 -0.007 19749 6536 1 12 . 1 1 69 69 ASP C C 69 175.500 175.500 174.412 1.088 19749 6537 1 12 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.024 1.876 19749 6538 1 12 . 1 1 69 69 ASP CB C 69 40.600 40.600 40.338 0.262 19749 6539 1 12 . 1 1 69 69 ASP H H 69 8.360 8.360 8.372 -0.012 19749 6540 1 12 . 1 1 70 70 PHE N N 70 117.200 117.200 122.030 -4.830 19749 6541 1 12 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.074 -0.084 19749 6542 1 12 . 1 1 70 70 PHE C C 70 175.700 175.700 175.202 0.498 19749 6543 1 12 . 1 1 70 70 PHE CA C 70 57.600 57.600 55.630 1.970 19749 6544 1 12 . 1 1 70 70 PHE CB C 70 41.700 41.700 42.133 -0.433 19749 6545 1 12 . 1 1 70 70 PHE H H 70 8.120 8.120 7.991 0.129 19749 6546 1 12 . 1 1 71 71 LEU N N 71 120.900 120.900 124.694 -3.794 19749 6547 1 12 . 1 1 71 71 LEU HA H 71 4.950 4.950 4.797 0.153 19749 6548 1 12 . 1 1 71 71 LEU C C 71 175.900 175.900 176.170 -0.270 19749 6549 1 12 . 1 1 71 71 LEU CA C 71 53.900 53.900 54.303 -0.403 19749 6550 1 12 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.076 3.624 19749 6551 1 12 . 1 1 71 71 LEU H H 71 9.330 9.330 8.803 0.527 19749 6552 1 12 . 1 1 72 72 ALA N N 72 121.500 121.500 129.138 -7.638 19749 6553 1 12 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.744 0.466 19749 6554 1 12 . 1 1 72 72 ALA C C 72 176.900 176.900 176.144 0.756 19749 6555 1 12 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.454 1.046 19749 6556 1 12 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.312 2.688 19749 6557 1 12 . 1 1 72 72 ALA H H 72 8.670 8.670 8.852 -0.182 19749 6558 1 12 . 1 1 73 73 VAL N N 73 122.700 122.700 124.890 -2.190 19749 6559 1 12 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.890 -0.310 19749 6560 1 12 . 1 1 73 73 VAL C C 73 175.100 175.100 176.584 -1.484 19749 6561 1 12 . 1 1 73 73 VAL CA C 73 61.800 61.800 60.849 0.951 19749 6562 1 12 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.875 -0.075 19749 6563 1 12 . 1 1 73 73 VAL H H 73 9.310 9.310 7.817 1.493 19749 6564 1 12 . 1 1 74 74 GLN N N 74 128.600 128.600 125.404 3.196 19749 6565 1 12 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.661 0.049 19749 6566 1 12 . 1 1 74 74 GLN C C 74 175.900 175.900 174.910 0.990 19749 6567 1 12 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.453 0.646 19749 6568 1 12 . 1 1 74 74 GLN CB C 74 29.700 29.700 26.919 2.781 19749 6569 1 12 . 1 1 74 74 GLN H H 74 9.090 9.090 8.537 0.553 19749 6570 1 12 . 1 1 75 75 THR N N 75 117.700 117.700 112.850 4.850 19749 6571 1 12 . 1 1 75 75 THR HA H 75 4.490 4.490 3.496 0.994 19749 6572 1 12 . 1 1 75 75 THR C C 75 174.700 174.700 174.774 -0.074 19749 6573 1 12 . 1 1 75 75 THR CA C 75 62.200 62.200 62.925 -0.725 19749 6574 1 12 . 1 1 75 75 THR CB C 75 69.800 69.800 68.825 0.975 19749 6575 1 12 . 1 1 75 75 THR H H 75 8.510 8.510 8.186 0.324 19749 6576 1 12 . 1 1 76 76 SER N N 76 115.300 115.300 115.196 0.104 19749 6577 1 12 . 1 1 76 76 SER HA H 76 4.540 4.540 4.744 -0.204 19749 6578 1 12 . 1 1 76 76 SER C C 76 174.200 174.200 174.816 -0.616 19749 6579 1 12 . 1 1 76 76 SER CA C 76 58.600 58.600 57.579 1.021 19749 6580 1 12 . 1 1 76 76 SER CB C 76 64.200 64.200 65.319 -1.119 19749 6581 1 12 . 1 1 76 76 SER H H 76 8.250 8.250 7.890 0.360 19749 6582 1 12 . 1 1 77 77 GLN N N 77 120.500 120.500 119.084 1.416 19749 6583 1 12 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.399 -0.179 19749 6584 1 12 . 1 1 77 77 GLN C C 77 176.900 176.900 176.364 0.536 19749 6585 1 12 . 1 1 77 77 GLN CA C 77 57.300 57.300 56.567 0.733 19749 6586 1 12 . 1 1 77 77 GLN CB C 77 28.900 28.900 29.144 -0.244 19749 6587 1 12 . 1 1 77 77 GLN H H 77 8.510 8.510 8.714 -0.204 19749 6588 1 12 . 1 1 78 78 GLY N N 78 110.300 110.300 109.032 1.268 19749 6589 1 12 . 1 1 78 78 GLY C C 78 173.800 173.800 173.156 0.644 19749 6590 1 12 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.176 0.324 19749 6591 1 12 . 1 1 78 78 GLY H H 78 8.610 8.610 8.158 0.452 19749 6592 1 12 . 1 1 79 79 VAL N N 79 119.500 119.500 118.369 1.131 19749 6593 1 12 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.655 -0.105 19749 6594 1 12 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.275 1.225 19749 6595 1 12 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.957 -0.157 19749 6596 1 12 . 1 1 79 79 VAL H H 79 7.400 7.400 7.565 -0.165 19749 6597 1 12 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.440 -0.020 19749 6598 1 12 . 1 1 80 80 PRO C C 80 176.900 176.900 176.819 0.081 19749 6599 1 12 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.851 0.449 19749 6600 1 12 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.765 0.535 19749 6601 1 12 . 1 1 81 81 VAL N N 81 121.600 121.600 123.156 -1.556 19749 6602 1 12 . 1 1 81 81 VAL HA H 81 4.040 4.040 3.933 0.107 19749 6603 1 12 . 1 1 81 81 VAL C C 81 175.800 175.800 176.268 -0.468 19749 6604 1 12 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.502 0.498 19749 6605 1 12 . 1 1 81 81 VAL CB C 81 32.800 32.800 31.665 1.135 19749 6606 1 12 . 1 1 81 81 VAL H H 81 8.390 8.390 8.250 0.140 19749 6607 1 12 . 1 1 82 82 ARG N N 82 125.400 125.400 128.755 -3.355 19749 6608 1 12 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.283 0.167 19749 6609 1 12 . 1 1 82 82 ARG C C 82 173.900 173.900 174.485 -0.585 19749 6610 1 12 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.984 0.015 19749 6611 1 12 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.192 1.108 19749 6612 1 12 . 1 1 82 82 ARG H H 82 8.170 8.170 8.550 -0.380 19749 6613 1 12 . 1 1 83 83 ARG N N 83 121.200 121.200 125.424 -4.224 19749 6614 1 12 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.615 0.715 19749 6615 1 12 . 1 1 83 83 ARG C C 83 175.600 175.600 175.246 0.354 19749 6616 1 12 . 1 1 83 83 ARG CA C 83 54.500 54.500 54.981 -0.481 19749 6617 1 12 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.003 2.497 19749 6618 1 12 . 1 1 83 83 ARG H H 83 8.060 8.060 8.206 -0.146 19749 6619 1 12 . 1 1 84 84 PHE N N 84 118.600 118.600 121.950 -3.350 19749 6620 1 12 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.795 0.155 19749 6621 1 12 . 1 1 84 84 PHE C C 84 175.200 175.200 176.803 -1.603 19749 6622 1 12 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.633 0.467 19749 6623 1 12 . 1 1 84 84 PHE CB C 84 44.500 44.500 41.156 3.344 19749 6624 1 12 . 1 1 84 84 PHE H H 84 9.320 9.320 8.375 0.945 19749 6625 1 12 . 1 1 85 85 GLN N N 85 120.800 120.800 121.990 -1.190 19749 6626 1 12 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.144 -0.094 19749 6627 1 12 . 1 1 85 85 GLN C C 85 176.000 176.000 176.086 -0.086 19749 6628 1 12 . 1 1 85 85 GLN CA C 85 58.400 58.400 58.202 0.198 19749 6629 1 12 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.734 0.566 19749 6630 1 12 . 1 1 85 85 GLN H H 85 9.660 9.660 8.917 0.743 19749 6631 1 12 . 1 1 86 86 THR N N 86 103.000 103.000 110.048 -7.048 19749 6632 1 12 . 1 1 86 86 THR HA H 86 4.810 4.810 4.358 0.452 19749 6633 1 12 . 1 1 86 86 THR C C 86 174.500 174.500 173.802 0.698 19749 6634 1 12 . 1 1 86 86 THR CA C 86 58.700 58.700 59.900 -1.200 19749 6635 1 12 . 1 1 86 86 THR CB C 86 73.400 73.400 70.346 3.054 19749 6636 1 12 . 1 1 86 86 THR H H 86 7.260 7.260 7.568 -0.308 19749 6637 1 12 . 1 1 87 87 LEU N N 87 122.200 122.200 123.554 -1.354 19749 6638 1 12 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.942 -0.112 19749 6639 1 12 . 1 1 87 87 LEU C C 87 178.600 178.600 177.824 0.776 19749 6640 1 12 . 1 1 87 87 LEU CA C 87 57.100 57.100 56.906 0.195 19749 6641 1 12 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.515 0.885 19749 6642 1 12 . 1 1 87 87 LEU H H 87 9.150 9.150 8.596 0.554 19749 6643 1 12 . 1 1 88 88 GLY N N 88 105.200 105.200 106.516 -1.316 19749 6644 1 12 . 1 1 88 88 GLY C C 88 176.900 176.900 176.123 0.777 19749 6645 1 12 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.472 -0.072 19749 6646 1 12 . 1 1 88 88 GLY H H 88 8.870 8.870 7.846 1.024 19749 6647 1 12 . 1 1 89 89 GLU N N 89 122.000 122.000 121.638 0.362 19749 6648 1 12 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.076 -0.146 19749 6649 1 12 . 1 1 89 89 GLU C C 89 177.600 177.600 178.326 -0.726 19749 6650 1 12 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.407 0.493 19749 6651 1 12 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.019 1.981 19749 6652 1 12 . 1 1 89 89 GLU H H 89 7.670 7.670 7.380 0.290 19749 6653 1 12 . 1 1 90 90 LEU N N 90 122.300 122.300 121.193 1.107 19749 6654 1 12 . 1 1 90 90 LEU HA H 90 2.430 2.430 1.600 0.830 19749 6655 1 12 . 1 1 90 90 LEU C C 90 177.200 177.200 177.943 -0.743 19749 6656 1 12 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.148 1.552 19749 6657 1 12 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.303 0.797 19749 6658 1 12 . 1 1 90 90 LEU H H 90 6.880 6.880 7.019 -0.139 19749 6659 1 12 . 1 1 91 91 ILE N N 91 118.800 118.800 116.486 2.314 19749 6660 1 12 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.389 -0.279 19749 6661 1 12 . 1 1 91 91 ILE C C 91 177.700 177.700 178.313 -0.613 19749 6662 1 12 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.522 -1.122 19749 6663 1 12 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.669 -0.269 19749 6664 1 12 . 1 1 91 91 ILE H H 91 7.880 7.880 7.688 0.192 19749 6665 1 12 . 1 1 92 92 GLY N N 92 103.900 103.900 109.295 -5.395 19749 6666 1 12 . 1 1 92 92 GLY C C 92 176.400 176.400 175.903 0.497 19749 6667 1 12 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.158 -0.358 19749 6668 1 12 . 1 1 92 92 GLY H H 92 7.570 7.570 7.621 -0.051 19749 6669 1 12 . 1 1 93 93 LEU N N 93 123.200 123.200 120.616 2.584 19749 6670 1 12 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.302 -0.222 19749 6671 1 12 . 1 1 93 93 LEU C C 93 179.100 179.100 179.556 -0.456 19749 6672 1 12 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.089 0.312 19749 6673 1 12 . 1 1 93 93 LEU CB C 93 40.800 40.800 41.748 -0.949 19749 6674 1 12 . 1 1 93 93 LEU H H 93 7.360 7.360 7.901 -0.541 19749 6675 1 12 . 1 1 94 94 TYR N N 94 114.000 114.000 117.936 -3.936 19749 6676 1 12 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.414 -0.184 19749 6677 1 12 . 1 1 94 94 TYR C C 94 175.600 175.600 177.496 -1.896 19749 6678 1 12 . 1 1 94 94 TYR CA C 94 60.200 60.200 56.865 3.335 19749 6679 1 12 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.287 0.313 19749 6680 1 12 . 1 1 94 94 TYR H H 94 7.380 7.380 8.130 -0.750 19749 6681 1 12 . 1 1 95 95 ALA N N 95 123.100 123.100 120.225 2.875 19749 6682 1 12 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.328 0.032 19749 6683 1 12 . 1 1 95 95 ALA C C 95 177.300 177.300 177.491 -0.191 19749 6684 1 12 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.108 0.792 19749 6685 1 12 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.881 0.118 19749 6686 1 12 . 1 1 95 95 ALA H H 95 7.330 7.330 7.430 -0.100 19749 6687 1 12 . 1 1 96 96 GLN N N 96 116.500 116.500 118.419 -1.919 19749 6688 1 12 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.731 -0.191 19749 6689 1 12 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.420 0.580 19749 6690 1 12 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.662 -0.062 19749 6691 1 12 . 1 1 96 96 GLN H H 96 7.620 7.620 7.407 0.213 19749 6692 1 12 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.331 -0.091 19749 6693 1 12 . 1 1 97 97 PRO C C 97 176.800 176.800 176.676 0.124 19749 6694 1 12 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.752 0.048 19749 6695 1 12 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.380 0.420 19749 6696 1 12 . 1 1 98 98 ASN N N 98 114.900 114.900 117.336 -2.436 19749 6697 1 12 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.368 0.112 19749 6698 1 12 . 1 1 98 98 ASN C C 98 175.100 175.100 174.623 0.477 19749 6699 1 12 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.833 0.467 19749 6700 1 12 . 1 1 98 98 ASN CB C 98 36.900 36.900 38.110 -1.210 19749 6701 1 12 . 1 1 98 98 ASN H H 98 8.960 8.960 8.688 0.272 19749 6702 1 12 . 1 1 99 99 GLN N N 99 115.400 115.400 118.438 -3.038 19749 6703 1 12 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.333 0.167 19749 6704 1 12 . 1 1 99 99 GLN C C 99 176.100 176.100 175.557 0.543 19749 6705 1 12 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.560 -1.260 19749 6706 1 12 . 1 1 99 99 GLN CB C 99 29.600 29.600 30.649 -1.049 19749 6707 1 12 . 1 1 99 99 GLN H H 99 8.610 8.610 8.552 0.058 19749 6708 1 12 . 1 1 100 100 GLY N N 100 107.400 107.400 106.945 0.455 19749 6709 1 12 . 1 1 100 100 GLY C C 100 174.600 174.600 173.498 1.102 19749 6710 1 12 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.098 0.302 19749 6711 1 12 . 1 1 100 100 GLY H H 100 8.460 8.460 8.011 0.449 19749 6712 1 12 . 1 1 101 101 LEU N N 101 118.400 118.400 119.073 -0.673 19749 6713 1 12 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.406 -0.026 19749 6714 1 12 . 1 1 101 101 LEU C C 101 178.000 178.000 178.430 -0.430 19749 6715 1 12 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.253 -1.353 19749 6716 1 12 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.599 -0.199 19749 6717 1 12 . 1 1 101 101 LEU H H 101 8.020 8.020 7.452 0.568 19749 6718 1 12 . 1 1 102 102 VAL N N 102 114.700 114.700 118.197 -3.497 19749 6719 1 12 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.954 -0.364 19749 6720 1 12 . 1 1 102 102 VAL C C 102 173.600 173.600 176.627 -3.027 19749 6721 1 12 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.330 -0.730 19749 6722 1 12 . 1 1 102 102 VAL CB C 102 31.100 31.100 31.863 -0.763 19749 6723 1 12 . 1 1 102 102 VAL H H 102 7.260 7.260 8.338 -1.078 19749 6724 1 12 . 1 1 103 103 CYS N N 103 112.400 112.400 119.829 -7.429 19749 6725 1 12 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.327 -0.087 19749 6726 1 12 . 1 1 103 103 CYS C C 103 170.600 170.600 173.278 -2.678 19749 6727 1 12 . 1 1 103 103 CYS CA C 103 56.100 56.100 58.496 -2.396 19749 6728 1 12 . 1 1 103 103 CYS CB C 103 29.600 29.600 26.000 3.600 19749 6729 1 12 . 1 1 103 103 CYS H H 103 6.920 6.920 7.858 -0.938 19749 6730 1 12 . 1 1 104 104 ALA N N 104 119.600 119.600 120.529 -0.929 19749 6731 1 12 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.955 0.255 19749 6732 1 12 . 1 1 104 104 ALA C C 104 176.300 176.300 175.570 0.730 19749 6733 1 12 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.418 -0.818 19749 6734 1 12 . 1 1 104 104 ALA CB C 104 19.400 19.400 17.889 1.511 19749 6735 1 12 . 1 1 104 104 ALA H H 104 7.840 7.840 7.575 0.265 19749 6736 1 12 . 1 1 105 105 LEU N N 105 117.100 117.100 120.978 -3.878 19749 6737 1 12 . 1 1 105 105 LEU HA H 105 3.780 3.780 4.416 -0.636 19749 6738 1 12 . 1 1 105 105 LEU C C 105 175.400 175.400 177.387 -1.987 19749 6739 1 12 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.259 -0.659 19749 6740 1 12 . 1 1 105 105 LEU CB C 105 37.400 37.400 40.233 -2.833 19749 6741 1 12 . 1 1 105 105 LEU H H 105 7.610 7.610 8.117 -0.507 19749 6742 1 12 . 1 1 106 106 LEU N N 106 124.700 124.700 123.835 0.865 19749 6743 1 12 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.871 -0.271 19749 6744 1 12 . 1 1 106 106 LEU C C 106 177.600 177.600 177.002 0.598 19749 6745 1 12 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.623 0.677 19749 6746 1 12 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.111 2.889 19749 6747 1 12 . 1 1 106 106 LEU H H 106 8.160 8.160 8.333 -0.173 19749 6748 1 12 . 1 1 107 107 LEU N N 107 121.400 121.400 121.599 -0.199 19749 6749 1 12 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.047 0.063 19749 6750 1 12 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.339 -0.639 19749 6751 1 12 . 1 1 107 107 LEU CB C 107 44.600 44.600 42.908 1.692 19749 6752 1 12 . 1 1 107 107 LEU H H 107 7.930 7.930 7.803 0.127 19749 6753 1 12 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.304 0.126 19749 6754 1 12 . 1 1 108 108 PRO C C 108 176.500 176.500 177.364 -0.864 19749 6755 1 12 . 1 1 108 108 PRO CA C 108 62.400 62.400 63.749 -1.349 19749 6756 1 12 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.102 0.698 19749 6757 1 13 . 1 1 10 10 HIS C C 10 175.000 175.000 175.199 -0.199 19749 6758 1 13 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.762 0.138 19749 6759 1 13 . 1 1 10 10 HIS CB C 10 29.900 29.900 30.341 -0.441 19749 6760 1 13 . 1 1 11 11 MET N N 11 120.400 120.400 122.170 -1.770 19749 6761 1 13 . 1 1 11 11 MET HA H 11 4.000 4.000 4.385 -0.385 19749 6762 1 13 . 1 1 11 11 MET C C 11 177.500 177.500 175.382 2.118 19749 6763 1 13 . 1 1 11 11 MET CA C 11 54.100 54.100 56.644 -2.544 19749 6764 1 13 . 1 1 11 11 MET CB C 11 31.500 31.500 33.225 -1.725 19749 6765 1 13 . 1 1 11 11 MET H H 11 7.800 7.800 8.722 -0.922 19749 6766 1 13 . 1 1 12 12 SER N N 12 118.600 118.600 111.051 7.549 19749 6767 1 13 . 1 1 12 12 SER HA H 12 3.860 3.860 4.383 -0.523 19749 6768 1 13 . 1 1 12 12 SER C C 12 173.900 173.900 174.007 -0.107 19749 6769 1 13 . 1 1 12 12 SER CA C 12 61.200 61.200 57.177 4.023 19749 6770 1 13 . 1 1 12 12 SER CB C 12 62.500 62.500 64.207 -1.707 19749 6771 1 13 . 1 1 12 12 SER H H 12 8.520 8.520 7.541 0.979 19749 6772 1 13 . 1 1 13 13 TRP N N 13 113.400 113.400 119.623 -6.223 19749 6773 1 13 . 1 1 13 13 TRP HA H 13 4.890 4.890 5.054 -0.164 19749 6774 1 13 . 1 1 13 13 TRP C C 13 176.000 176.000 175.782 0.218 19749 6775 1 13 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.626 -2.826 19749 6776 1 13 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.667 0.433 19749 6777 1 13 . 1 1 13 13 TRP H H 13 6.180 6.180 7.941 -1.761 19749 6778 1 13 . 1 1 14 14 TYR N N 14 123.200 123.200 124.147 -0.947 19749 6779 1 13 . 1 1 14 14 TYR HA H 14 5.570 5.570 4.724 0.846 19749 6780 1 13 . 1 1 14 14 TYR C C 14 174.700 174.700 175.109 -0.409 19749 6781 1 13 . 1 1 14 14 TYR CA C 14 56.000 56.000 58.524 -2.524 19749 6782 1 13 . 1 1 14 14 TYR CB C 14 37.900 37.900 37.826 0.074 19749 6783 1 13 . 1 1 14 14 TYR H H 14 7.430 7.430 6.994 0.436 19749 6784 1 13 . 1 1 15 15 HIS N N 15 126.900 126.900 128.594 -1.694 19749 6785 1 13 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.697 -0.147 19749 6786 1 13 . 1 1 15 15 HIS C C 15 173.300 173.300 174.810 -1.510 19749 6787 1 13 . 1 1 15 15 HIS CA C 15 53.100 53.100 55.390 -2.290 19749 6788 1 13 . 1 1 15 15 HIS CB C 15 30.400 30.400 30.789 -0.389 19749 6789 1 13 . 1 1 15 15 HIS H H 15 8.680 8.680 7.880 0.800 19749 6790 1 13 . 1 1 16 16 ARG N N 16 122.500 122.500 124.987 -2.487 19749 6791 1 13 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.844 0.106 19749 6792 1 13 . 1 1 16 16 ARG C C 16 176.100 176.100 176.010 0.090 19749 6793 1 13 . 1 1 16 16 ARG CA C 16 57.300 57.300 58.311 -1.011 19749 6794 1 13 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.575 -0.475 19749 6795 1 13 . 1 1 16 16 ARG H H 16 7.740 7.740 8.555 -0.815 19749 6796 1 13 . 1 1 17 17 ASP N N 17 119.100 119.100 118.448 0.652 19749 6797 1 13 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.655 -0.135 19749 6798 1 13 . 1 1 17 17 ASP C C 17 174.900 174.900 174.716 0.184 19749 6799 1 13 . 1 1 17 17 ASP CA C 17 54.800 54.800 53.873 0.927 19749 6800 1 13 . 1 1 17 17 ASP CB C 17 39.900 39.900 39.925 -0.025 19749 6801 1 13 . 1 1 17 17 ASP H H 17 8.900 8.900 8.243 0.657 19749 6802 1 13 . 1 1 18 18 LEU N N 18 121.000 121.000 124.581 -3.581 19749 6803 1 13 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.680 -0.170 19749 6804 1 13 . 1 1 18 18 LEU C C 18 176.300 176.300 175.311 0.989 19749 6805 1 13 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.508 -0.008 19749 6806 1 13 . 1 1 18 18 LEU CB C 18 44.800 44.800 45.393 -0.593 19749 6807 1 13 . 1 1 18 18 LEU H H 18 7.280 7.280 7.893 -0.613 19749 6808 1 13 . 1 1 19 19 SER N N 19 123.400 123.400 119.267 4.133 19749 6809 1 13 . 1 1 19 19 SER HA H 19 4.440 4.440 4.742 -0.302 19749 6810 1 13 . 1 1 19 19 SER C C 19 173.900 173.900 174.989 -1.089 19749 6811 1 13 . 1 1 19 19 SER CA C 19 57.700 57.700 56.794 0.906 19749 6812 1 13 . 1 1 19 19 SER CB C 19 65.200 65.200 65.019 0.181 19749 6813 1 13 . 1 1 19 19 SER H H 19 8.650 8.650 8.522 0.128 19749 6814 1 13 . 1 1 20 20 ARG N N 20 121.700 121.700 123.474 -1.774 19749 6815 1 13 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.983 -0.273 19749 6816 1 13 . 1 1 20 20 ARG C C 20 178.200 178.200 178.082 0.118 19749 6817 1 13 . 1 1 20 20 ARG CA C 20 60.600 60.600 60.197 0.403 19749 6818 1 13 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.330 -0.230 19749 6819 1 13 . 1 1 20 20 ARG H H 20 8.970 8.970 8.670 0.300 19749 6820 1 13 . 1 1 21 21 ALA N N 21 119.900 119.900 121.064 -1.164 19749 6821 1 13 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.039 0.001 19749 6822 1 13 . 1 1 21 21 ALA C C 21 180.600 180.600 179.384 1.216 19749 6823 1 13 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.057 0.143 19749 6824 1 13 . 1 1 21 21 ALA CB C 21 18.300 18.300 17.729 0.571 19749 6825 1 13 . 1 1 21 21 ALA H H 21 8.670 8.670 8.616 0.054 19749 6826 1 13 . 1 1 22 22 ALA N N 22 121.000 121.000 120.376 0.624 19749 6827 1 13 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.288 -0.158 19749 6828 1 13 . 1 1 22 22 ALA C C 22 180.900 180.900 179.319 1.581 19749 6829 1 13 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.188 0.512 19749 6830 1 13 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.113 0.886 19749 6831 1 13 . 1 1 22 22 ALA H H 22 7.890 7.890 8.036 -0.146 19749 6832 1 13 . 1 1 23 23 ALA N N 23 121.700 121.700 122.651 -0.951 19749 6833 1 13 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.939 -0.059 19749 6834 1 13 . 1 1 23 23 ALA C C 23 178.700 178.700 179.399 -0.699 19749 6835 1 13 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.078 0.022 19749 6836 1 13 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.654 0.546 19749 6837 1 13 . 1 1 23 23 ALA H H 23 8.570 8.570 7.901 0.669 19749 6838 1 13 . 1 1 24 24 GLU N N 24 116.500 116.500 117.191 -0.691 19749 6839 1 13 . 1 1 24 24 GLU HA H 24 3.760 3.760 4.008 -0.248 19749 6840 1 13 . 1 1 24 24 GLU C C 24 178.900 178.900 178.816 0.084 19749 6841 1 13 . 1 1 24 24 GLU CA C 24 60.500 60.500 58.934 1.566 19749 6842 1 13 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.061 -0.561 19749 6843 1 13 . 1 1 24 24 GLU H H 24 8.200 8.200 8.251 -0.051 19749 6844 1 13 . 1 1 25 25 GLU N N 25 120.000 120.000 121.087 -1.087 19749 6845 1 13 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.081 -0.021 19749 6846 1 13 . 1 1 25 25 GLU C C 25 178.400 178.400 178.952 -0.552 19749 6847 1 13 . 1 1 25 25 GLU CA C 25 59.400 59.400 59.024 0.376 19749 6848 1 13 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.546 -0.045 19749 6849 1 13 . 1 1 25 25 GLU H H 25 7.690 7.690 7.715 -0.025 19749 6850 1 13 . 1 1 26 26 LEU N N 26 120.200 120.200 119.772 0.428 19749 6851 1 13 . 1 1 26 26 LEU HA H 26 3.910 3.910 3.971 -0.061 19749 6852 1 13 . 1 1 26 26 LEU C C 26 180.200 180.200 179.452 0.748 19749 6853 1 13 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.554 0.645 19749 6854 1 13 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.613 0.787 19749 6855 1 13 . 1 1 26 26 LEU H H 26 7.840 7.840 7.997 -0.157 19749 6856 1 13 . 1 1 27 27 LEU N N 27 117.800 117.800 118.932 -1.132 19749 6857 1 13 . 1 1 27 27 LEU HA H 27 3.980 3.980 4.014 -0.034 19749 6858 1 13 . 1 1 27 27 LEU C C 27 177.800 177.800 178.368 -0.568 19749 6859 1 13 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.468 0.132 19749 6860 1 13 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.798 0.102 19749 6861 1 13 . 1 1 27 27 LEU H H 27 7.960 7.960 8.044 -0.084 19749 6862 1 13 . 1 1 28 28 ALA N N 28 120.600 120.600 119.781 0.819 19749 6863 1 13 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.069 -0.169 19749 6864 1 13 . 1 1 28 28 ALA C C 28 180.900 180.900 179.144 1.756 19749 6865 1 13 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.372 0.828 19749 6866 1 13 . 1 1 28 28 ALA CB C 28 17.900 17.900 19.026 -1.126 19749 6867 1 13 . 1 1 28 28 ALA H H 28 8.160 8.160 7.647 0.513 19749 6868 1 13 . 1 1 29 29 ARG N N 29 116.200 116.200 117.005 -0.805 19749 6869 1 13 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.309 -0.349 19749 6870 1 13 . 1 1 29 29 ARG C C 29 178.000 178.000 177.627 0.373 19749 6871 1 13 . 1 1 29 29 ARG CA C 29 58.600 58.600 57.767 0.833 19749 6872 1 13 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.479 -0.179 19749 6873 1 13 . 1 1 29 29 ARG H H 29 7.760 7.760 7.922 -0.162 19749 6874 1 13 . 1 1 30 30 ALA N N 30 123.200 123.200 120.509 2.691 19749 6875 1 13 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.303 -0.103 19749 6876 1 13 . 1 1 30 30 ALA C C 30 182.000 182.000 178.129 3.871 19749 6877 1 13 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.072 1.828 19749 6878 1 13 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.651 -0.951 19749 6879 1 13 . 1 1 30 30 ALA H H 30 7.580 7.580 7.561 0.019 19749 6880 1 13 . 1 1 31 31 GLY N N 31 102.400 102.400 106.748 -4.348 19749 6881 1 13 . 1 1 31 31 GLY C C 31 174.800 174.800 174.458 0.342 19749 6882 1 13 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.930 3.170 19749 6883 1 13 . 1 1 31 31 GLY H H 31 7.690 7.690 7.575 0.115 19749 6884 1 13 . 1 1 32 32 ARG N N 32 121.100 121.100 123.443 -2.343 19749 6885 1 13 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.194 0.266 19749 6886 1 13 . 1 1 32 32 ARG C C 32 176.500 176.500 175.945 0.555 19749 6887 1 13 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.949 -2.549 19749 6888 1 13 . 1 1 32 32 ARG CB C 32 32.600 32.600 31.352 1.248 19749 6889 1 13 . 1 1 32 32 ARG H H 32 7.040 7.040 8.387 -1.347 19749 6890 1 13 . 1 1 33 33 ASP N N 33 126.100 126.100 115.064 11.036 19749 6891 1 13 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.735 0.035 19749 6892 1 13 . 1 1 33 33 ASP C C 33 176.800 176.800 176.219 0.581 19749 6893 1 13 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.929 1.071 19749 6894 1 13 . 1 1 33 33 ASP CB C 33 41.000 41.000 44.411 -3.412 19749 6895 1 13 . 1 1 33 33 ASP H H 33 9.110 9.110 7.827 1.283 19749 6896 1 13 . 1 1 34 34 GLY N N 34 109.400 109.400 112.586 -3.186 19749 6897 1 13 . 1 1 34 34 GLY C C 34 175.800 175.800 174.524 1.276 19749 6898 1 13 . 1 1 34 34 GLY CA C 34 46.000 46.000 46.005 -0.005 19749 6899 1 13 . 1 1 34 34 GLY H H 34 9.440 9.440 8.783 0.657 19749 6900 1 13 . 1 1 35 35 SER N N 35 120.400 120.400 116.686 3.714 19749 6901 1 13 . 1 1 35 35 SER HA H 35 5.990 5.990 5.414 0.576 19749 6902 1 13 . 1 1 35 35 SER C C 35 173.400 173.400 173.814 -0.414 19749 6903 1 13 . 1 1 35 35 SER CA C 35 59.800 59.800 57.790 2.010 19749 6904 1 13 . 1 1 35 35 SER CB C 35 63.700 63.700 64.468 -0.768 19749 6905 1 13 . 1 1 35 35 SER H H 35 8.050 8.050 7.793 0.257 19749 6906 1 13 . 1 1 36 36 PHE N N 36 122.000 122.000 118.578 3.422 19749 6907 1 13 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.870 0.170 19749 6908 1 13 . 1 1 36 36 PHE C C 36 170.900 170.900 173.034 -2.134 19749 6909 1 13 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.821 0.479 19749 6910 1 13 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.825 1.575 19749 6911 1 13 . 1 1 36 36 PHE H H 36 8.730 8.730 8.814 -0.084 19749 6912 1 13 . 1 1 37 37 LEU N N 37 112.500 112.500 115.791 -3.291 19749 6913 1 13 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.201 -0.151 19749 6914 1 13 . 1 1 37 37 LEU C C 37 175.100 175.100 175.007 0.093 19749 6915 1 13 . 1 1 37 37 LEU CA C 37 54.500 54.500 53.905 0.595 19749 6916 1 13 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.813 -0.613 19749 6917 1 13 . 1 1 37 37 LEU H H 37 9.000 9.000 8.761 0.239 19749 6918 1 13 . 1 1 38 38 VAL N N 38 120.200 120.200 119.759 0.441 19749 6919 1 13 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.585 -0.105 19749 6920 1 13 . 1 1 38 38 VAL C C 38 173.600 173.600 175.549 -1.949 19749 6921 1 13 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.965 0.235 19749 6922 1 13 . 1 1 38 38 VAL CB C 38 35.200 35.200 35.387 -0.187 19749 6923 1 13 . 1 1 38 38 VAL H H 38 9.830 9.830 8.606 1.224 19749 6924 1 13 . 1 1 39 39 ARG N N 39 124.000 124.000 121.931 2.069 19749 6925 1 13 . 1 1 39 39 ARG HA H 39 5.520 5.520 4.532 0.988 19749 6926 1 13 . 1 1 39 39 ARG C C 39 174.700 174.700 174.172 0.528 19749 6927 1 13 . 1 1 39 39 ARG CA C 39 52.800 52.800 54.148 -1.348 19749 6928 1 13 . 1 1 39 39 ARG CB C 39 34.200 34.200 32.458 1.742 19749 6929 1 13 . 1 1 39 39 ARG H H 39 9.240 9.240 8.979 0.261 19749 6930 1 13 . 1 1 40 40 ASP N N 40 122.800 122.800 120.023 2.777 19749 6931 1 13 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.338 -0.388 19749 6932 1 13 . 1 1 40 40 ASP C C 40 176.500 176.500 175.945 0.555 19749 6933 1 13 . 1 1 40 40 ASP CA C 40 55.900 55.900 54.430 1.470 19749 6934 1 13 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.670 -1.770 19749 6935 1 13 . 1 1 40 40 ASP H H 40 9.060 9.060 8.501 0.559 19749 6936 1 13 . 1 1 41 41 SER N N 41 113.600 113.600 117.776 -4.176 19749 6937 1 13 . 1 1 41 41 SER HA H 41 4.200 4.200 4.360 -0.160 19749 6938 1 13 . 1 1 41 41 SER C C 41 175.700 175.700 174.829 0.871 19749 6939 1 13 . 1 1 41 41 SER CA C 41 58.400 58.400 58.865 -0.465 19749 6940 1 13 . 1 1 41 41 SER CB C 41 63.900 63.900 63.809 0.091 19749 6941 1 13 . 1 1 41 41 SER H H 41 7.870 7.870 8.248 -0.378 19749 6942 1 13 . 1 1 42 42 GLU N N 42 127.200 127.200 122.519 4.681 19749 6943 1 13 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.479 -0.089 19749 6944 1 13 . 1 1 42 42 GLU C C 42 176.500 176.500 176.875 -0.375 19749 6945 1 13 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.985 0.715 19749 6946 1 13 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.871 -0.371 19749 6947 1 13 . 1 1 42 42 GLU H H 42 9.600 9.600 8.823 0.777 19749 6948 1 13 . 1 1 43 43 SER N N 43 113.400 113.400 115.309 -1.909 19749 6949 1 13 . 1 1 43 43 SER HA H 43 4.590 4.590 4.442 0.148 19749 6950 1 13 . 1 1 43 43 SER C C 43 174.000 174.000 174.982 -0.982 19749 6951 1 13 . 1 1 43 43 SER CA C 43 59.400 59.400 59.630 -0.230 19749 6952 1 13 . 1 1 43 43 SER CB C 43 65.100 65.100 64.164 0.936 19749 6953 1 13 . 1 1 43 43 SER H H 43 8.110 8.110 7.953 0.157 19749 6954 1 13 . 1 1 44 44 VAL N N 44 123.200 123.200 121.829 1.371 19749 6955 1 13 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.110 0.030 19749 6956 1 13 . 1 1 44 44 VAL C C 44 174.800 174.800 176.059 -1.259 19749 6957 1 13 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.795 -0.095 19749 6958 1 13 . 1 1 44 44 VAL CB C 44 33.700 33.700 32.067 1.633 19749 6959 1 13 . 1 1 44 44 VAL H H 44 7.620 7.620 7.405 0.215 19749 6960 1 13 . 1 1 45 45 ALA N N 45 130.900 130.900 132.814 -1.914 19749 6961 1 13 . 1 1 45 45 ALA HA H 45 4.150 4.150 3.966 0.184 19749 6962 1 13 . 1 1 45 45 ALA C C 45 178.700 178.700 177.302 1.398 19749 6963 1 13 . 1 1 45 45 ALA CA C 45 53.700 53.700 54.408 -0.708 19749 6964 1 13 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.162 -0.062 19749 6965 1 13 . 1 1 45 45 ALA H H 45 8.480 8.480 8.887 -0.407 19749 6966 1 13 . 1 1 46 46 GLY N N 46 111.400 111.400 105.706 5.694 19749 6967 1 13 . 1 1 46 46 GLY C C 46 171.700 171.700 173.009 -1.309 19749 6968 1 13 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.308 1.092 19749 6969 1 13 . 1 1 46 46 GLY H H 46 8.600 8.600 8.076 0.524 19749 6970 1 13 . 1 1 47 47 ALA N N 47 117.600 117.600 123.648 -6.048 19749 6971 1 13 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.812 0.068 19749 6972 1 13 . 1 1 47 47 ALA C C 47 177.200 177.200 176.243 0.957 19749 6973 1 13 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.200 -0.401 19749 6974 1 13 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.302 0.398 19749 6975 1 13 . 1 1 47 47 ALA H H 47 7.340 7.340 7.856 -0.516 19749 6976 1 13 . 1 1 48 48 PHE N N 48 117.100 117.100 118.607 -1.507 19749 6977 1 13 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.289 0.081 19749 6978 1 13 . 1 1 48 48 PHE C C 48 174.100 174.100 174.592 -0.492 19749 6979 1 13 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.628 -0.128 19749 6980 1 13 . 1 1 48 48 PHE CB C 48 43.900 43.900 40.592 3.308 19749 6981 1 13 . 1 1 48 48 PHE H H 48 9.160 9.160 8.333 0.827 19749 6982 1 13 . 1 1 49 49 ALA N N 49 125.600 125.600 125.787 -0.187 19749 6983 1 13 . 1 1 49 49 ALA HA H 49 5.190 5.190 4.996 0.194 19749 6984 1 13 . 1 1 49 49 ALA C C 49 174.900 174.900 175.361 -0.461 19749 6985 1 13 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.302 0.898 19749 6986 1 13 . 1 1 49 49 ALA CB C 49 20.400 20.400 21.457 -1.057 19749 6987 1 13 . 1 1 49 49 ALA H H 49 9.630 9.630 8.891 0.739 19749 6988 1 13 . 1 1 50 50 LEU N N 50 127.100 127.100 125.940 1.160 19749 6989 1 13 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.670 -0.600 19749 6990 1 13 . 1 1 50 50 LEU C C 50 174.500 174.500 175.278 -0.778 19749 6991 1 13 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.731 0.269 19749 6992 1 13 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.136 -1.236 19749 6993 1 13 . 1 1 50 50 LEU H H 50 9.350 9.350 8.456 0.894 19749 6994 1 13 . 1 1 51 51 CYS N N 51 127.300 127.300 128.375 -1.075 19749 6995 1 13 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.374 0.036 19749 6996 1 13 . 1 1 51 51 CYS C C 51 173.000 173.000 173.664 -0.664 19749 6997 1 13 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.131 0.069 19749 6998 1 13 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.201 2.199 19749 6999 1 13 . 1 1 51 51 CYS H H 51 9.300 9.300 9.029 0.271 19749 7000 1 13 . 1 1 52 52 VAL N N 52 123.100 123.100 126.139 -3.039 19749 7001 1 13 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.357 -0.197 19749 7002 1 13 . 1 1 52 52 VAL C C 52 173.800 173.800 174.388 -0.588 19749 7003 1 13 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.449 -1.549 19749 7004 1 13 . 1 1 52 52 VAL CB C 52 36.300 36.300 35.100 1.200 19749 7005 1 13 . 1 1 52 52 VAL H H 52 9.460 9.460 9.266 0.194 19749 7006 1 13 . 1 1 53 53 LEU N N 53 130.700 130.700 128.680 2.020 19749 7007 1 13 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.515 -0.535 19749 7008 1 13 . 1 1 53 53 LEU C C 53 175.200 175.200 174.617 0.583 19749 7009 1 13 . 1 1 53 53 LEU CA C 53 54.000 54.000 52.909 1.091 19749 7010 1 13 . 1 1 53 53 LEU CB C 53 45.300 45.300 45.639 -0.339 19749 7011 1 13 . 1 1 53 53 LEU H H 53 9.320 9.320 8.682 0.638 19749 7012 1 13 . 1 1 54 54 TYR N N 54 125.700 125.700 124.934 0.766 19749 7013 1 13 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.862 0.048 19749 7014 1 13 . 1 1 54 54 TYR C C 54 175.400 175.400 174.524 0.876 19749 7015 1 13 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.029 0.671 19749 7016 1 13 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.249 1.450 19749 7017 1 13 . 1 1 54 54 TYR H H 54 9.260 9.260 8.240 1.020 19749 7018 1 13 . 1 1 55 55 GLN N N 55 129.900 129.900 127.771 2.129 19749 7019 1 13 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.811 -0.111 19749 7020 1 13 . 1 1 55 55 GLN C C 55 175.900 175.900 175.049 0.851 19749 7021 1 13 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.548 0.152 19749 7022 1 13 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.436 -0.836 19749 7023 1 13 . 1 1 55 55 GLN H H 55 9.750 9.750 8.668 1.082 19749 7024 1 13 . 1 1 56 56 LYS N N 56 107.600 107.600 116.017 -8.417 19749 7025 1 13 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.944 -0.504 19749 7026 1 13 . 1 1 56 56 LYS C C 56 174.800 174.800 174.952 -0.152 19749 7027 1 13 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.258 1.142 19749 7028 1 13 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.798 -1.998 19749 7029 1 13 . 1 1 56 56 LYS H H 56 8.920 8.920 8.449 0.471 19749 7030 1 13 . 1 1 57 57 HIS N N 57 118.200 118.200 117.815 0.385 19749 7031 1 13 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.784 0.116 19749 7032 1 13 . 1 1 57 57 HIS C C 57 173.400 173.400 174.058 -0.658 19749 7033 1 13 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.311 -0.011 19749 7034 1 13 . 1 1 57 57 HIS CB C 57 31.900 31.900 30.703 1.197 19749 7035 1 13 . 1 1 57 57 HIS H H 57 7.980 7.980 7.459 0.521 19749 7036 1 13 . 1 1 58 58 VAL N N 58 124.500 124.500 128.492 -3.992 19749 7037 1 13 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.298 0.042 19749 7038 1 13 . 1 1 58 58 VAL C C 58 175.700 175.700 175.257 0.443 19749 7039 1 13 . 1 1 58 58 VAL CA C 58 63.100 63.100 62.469 0.631 19749 7040 1 13 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.561 -0.561 19749 7041 1 13 . 1 1 58 58 VAL H H 58 8.800 8.800 8.543 0.257 19749 7042 1 13 . 1 1 59 59 HIS N N 59 132.200 132.200 128.195 4.005 19749 7043 1 13 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.832 -0.312 19749 7044 1 13 . 1 1 59 59 HIS C C 59 174.100 174.100 173.532 0.568 19749 7045 1 13 . 1 1 59 59 HIS CA C 59 55.700 55.700 55.129 0.571 19749 7046 1 13 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.745 -1.545 19749 7047 1 13 . 1 1 59 59 HIS H H 59 9.830 9.830 8.758 1.072 19749 7048 1 13 . 1 1 60 60 THR N N 60 119.300 119.300 117.370 1.930 19749 7049 1 13 . 1 1 60 60 THR HA H 60 5.280 5.280 5.131 0.149 19749 7050 1 13 . 1 1 60 60 THR C C 60 173.700 173.700 173.723 -0.023 19749 7051 1 13 . 1 1 60 60 THR CA C 60 62.100 62.100 60.740 1.360 19749 7052 1 13 . 1 1 60 60 THR CB C 60 70.300 70.300 70.420 -0.120 19749 7053 1 13 . 1 1 60 60 THR H H 60 8.420 8.420 7.842 0.578 19749 7054 1 13 . 1 1 61 61 TYR N N 61 127.000 127.000 124.509 2.491 19749 7055 1 13 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.885 -0.085 19749 7056 1 13 . 1 1 61 61 TYR C C 61 175.000 175.000 175.528 -0.528 19749 7057 1 13 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.844 -0.345 19749 7058 1 13 . 1 1 61 61 TYR CB C 61 40.900 40.900 38.985 1.915 19749 7059 1 13 . 1 1 61 61 TYR H H 61 9.810 9.810 9.061 0.749 19749 7060 1 13 . 1 1 62 62 ARG N N 62 124.200 124.200 124.519 -0.319 19749 7061 1 13 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.714 -0.004 19749 7062 1 13 . 1 1 62 62 ARG C C 62 175.000 175.000 175.520 -0.520 19749 7063 1 13 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.402 1.498 19749 7064 1 13 . 1 1 62 62 ARG CB C 62 31.500 31.500 29.280 2.220 19749 7065 1 13 . 1 1 62 62 ARG H H 62 9.240 9.240 8.692 0.548 19749 7066 1 13 . 1 1 63 63 ILE N N 63 124.100 124.100 125.983 -1.883 19749 7067 1 13 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.183 0.577 19749 7068 1 13 . 1 1 63 63 ILE C C 63 174.900 174.900 175.199 -0.299 19749 7069 1 13 . 1 1 63 63 ILE CA C 63 60.500 60.500 62.074 -1.574 19749 7070 1 13 . 1 1 63 63 ILE CB C 63 39.600 39.600 38.330 1.270 19749 7071 1 13 . 1 1 63 63 ILE H H 63 8.810 8.810 8.066 0.744 19749 7072 1 13 . 1 1 64 64 LEU N N 64 126.200 126.200 130.224 -4.024 19749 7073 1 13 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.933 0.267 19749 7074 1 13 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.075 -0.475 19749 7075 1 13 . 1 1 64 64 LEU CB C 64 44.200 44.200 41.944 2.256 19749 7076 1 13 . 1 1 64 64 LEU H H 64 8.660 8.660 8.486 0.174 19749 7077 1 13 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.344 0.886 19749 7078 1 13 . 1 1 65 65 PRO C C 65 177.000 177.000 177.413 -0.413 19749 7079 1 13 . 1 1 65 65 PRO CA C 65 62.500 62.500 65.262 -2.762 19749 7080 1 13 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.240 0.060 19749 7081 1 13 . 1 1 66 66 ASP N N 66 124.500 124.500 116.012 8.488 19749 7082 1 13 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.412 0.488 19749 7083 1 13 . 1 1 66 66 ASP C C 66 177.200 177.200 176.034 1.166 19749 7084 1 13 . 1 1 66 66 ASP CA C 66 52.600 52.600 55.140 -2.540 19749 7085 1 13 . 1 1 66 66 ASP CB C 66 43.000 43.000 38.949 4.051 19749 7086 1 13 . 1 1 66 66 ASP H H 66 8.650 8.650 8.289 0.361 19749 7087 1 13 . 1 1 67 67 GLY N N 67 108.300 108.300 109.334 -1.034 19749 7088 1 13 . 1 1 67 67 GLY C C 67 174.700 174.700 174.457 0.243 19749 7089 1 13 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.220 0.680 19749 7090 1 13 . 1 1 67 67 GLY H H 67 8.420 8.420 7.824 0.596 19749 7091 1 13 . 1 1 68 68 GLU N N 68 120.300 120.300 115.457 4.843 19749 7092 1 13 . 1 1 68 68 GLU HA H 68 4.340 4.340 3.776 0.564 19749 7093 1 13 . 1 1 68 68 GLU C C 68 176.100 176.100 175.724 0.376 19749 7094 1 13 . 1 1 68 68 GLU CA C 68 56.800 56.800 58.385 -1.585 19749 7095 1 13 . 1 1 68 68 GLU CB C 68 30.300 30.300 27.972 2.328 19749 7096 1 13 . 1 1 68 68 GLU H H 68 8.580 8.580 8.343 0.237 19749 7097 1 13 . 1 1 69 69 ASP N N 69 115.000 115.000 117.103 -2.103 19749 7098 1 13 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.661 -0.141 19749 7099 1 13 . 1 1 69 69 ASP C C 69 175.500 175.500 175.830 -0.330 19749 7100 1 13 . 1 1 69 69 ASP CA C 69 55.900 55.900 55.384 0.516 19749 7101 1 13 . 1 1 69 69 ASP CB C 69 40.600 40.600 42.014 -1.414 19749 7102 1 13 . 1 1 69 69 ASP H H 69 8.360 8.360 8.445 -0.085 19749 7103 1 13 . 1 1 70 70 PHE N N 70 117.200 117.200 114.474 2.726 19749 7104 1 13 . 1 1 70 70 PHE HA H 70 4.990 4.990 4.869 0.121 19749 7105 1 13 . 1 1 70 70 PHE C C 70 175.700 175.700 174.033 1.667 19749 7106 1 13 . 1 1 70 70 PHE CA C 70 57.600 57.600 55.085 2.515 19749 7107 1 13 . 1 1 70 70 PHE CB C 70 41.700 41.700 40.722 0.978 19749 7108 1 13 . 1 1 70 70 PHE H H 70 8.120 8.120 7.203 0.917 19749 7109 1 13 . 1 1 71 71 LEU N N 71 120.900 120.900 116.814 4.086 19749 7110 1 13 . 1 1 71 71 LEU HA H 71 4.950 4.950 4.917 0.033 19749 7111 1 13 . 1 1 71 71 LEU C C 71 175.900 175.900 175.267 0.633 19749 7112 1 13 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.671 0.229 19749 7113 1 13 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.395 3.305 19749 7114 1 13 . 1 1 71 71 LEU H H 71 9.330 9.330 8.569 0.761 19749 7115 1 13 . 1 1 72 72 ALA N N 72 121.500 121.500 127.464 -5.964 19749 7116 1 13 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.725 0.485 19749 7117 1 13 . 1 1 72 72 ALA C C 72 176.900 176.900 176.082 0.818 19749 7118 1 13 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.480 1.020 19749 7119 1 13 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.707 2.293 19749 7120 1 13 . 1 1 72 72 ALA H H 72 8.670 8.670 8.307 0.363 19749 7121 1 13 . 1 1 73 73 VAL N N 73 122.700 122.700 123.604 -0.904 19749 7122 1 13 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.291 0.289 19749 7123 1 13 . 1 1 73 73 VAL C C 73 175.100 175.100 176.073 -0.973 19749 7124 1 13 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.791 0.009 19749 7125 1 13 . 1 1 73 73 VAL CB C 73 33.800 33.800 32.546 1.254 19749 7126 1 13 . 1 1 73 73 VAL H H 73 9.310 9.310 8.042 1.268 19749 7127 1 13 . 1 1 74 74 GLN N N 74 128.600 128.600 127.181 1.419 19749 7128 1 13 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.583 0.127 19749 7129 1 13 . 1 1 74 74 GLN C C 74 175.900 175.900 176.546 -0.646 19749 7130 1 13 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.344 -0.244 19749 7131 1 13 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.252 2.449 19749 7132 1 13 . 1 1 74 74 GLN H H 74 9.090 9.090 8.830 0.260 19749 7133 1 13 . 1 1 75 75 THR N N 75 117.700 117.700 116.404 1.296 19749 7134 1 13 . 1 1 75 75 THR HA H 75 4.490 4.490 4.450 0.040 19749 7135 1 13 . 1 1 75 75 THR C C 75 174.700 174.700 175.089 -0.389 19749 7136 1 13 . 1 1 75 75 THR CA C 75 62.200 62.200 62.823 -0.623 19749 7137 1 13 . 1 1 75 75 THR CB C 75 69.800 69.800 69.501 0.299 19749 7138 1 13 . 1 1 75 75 THR H H 75 8.510 8.510 8.050 0.460 19749 7139 1 13 . 1 1 76 76 SER N N 76 115.300 115.300 115.325 -0.025 19749 7140 1 13 . 1 1 76 76 SER HA H 76 4.540 4.540 4.658 -0.118 19749 7141 1 13 . 1 1 76 76 SER C C 76 174.200 174.200 172.897 1.303 19749 7142 1 13 . 1 1 76 76 SER CA C 76 58.600 58.600 57.892 0.708 19749 7143 1 13 . 1 1 76 76 SER CB C 76 64.200 64.200 66.084 -1.884 19749 7144 1 13 . 1 1 76 76 SER H H 76 8.250 8.250 8.219 0.031 19749 7145 1 13 . 1 1 77 77 GLN N N 77 120.500 120.500 124.383 -3.883 19749 7146 1 13 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.175 0.045 19749 7147 1 13 . 1 1 77 77 GLN C C 77 176.900 176.900 176.569 0.331 19749 7148 1 13 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.150 0.150 19749 7149 1 13 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.120 0.780 19749 7150 1 13 . 1 1 77 77 GLN H H 77 8.510 8.510 8.845 -0.335 19749 7151 1 13 . 1 1 78 78 GLY N N 78 110.300 110.300 111.585 -1.285 19749 7152 1 13 . 1 1 78 78 GLY C C 78 173.800 173.800 173.350 0.450 19749 7153 1 13 . 1 1 78 78 GLY CA C 78 45.500 45.500 44.947 0.553 19749 7154 1 13 . 1 1 78 78 GLY H H 78 8.610 8.610 8.652 -0.042 19749 7155 1 13 . 1 1 79 79 VAL N N 79 119.500 119.500 119.376 0.124 19749 7156 1 13 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.648 -0.098 19749 7157 1 13 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.485 1.015 19749 7158 1 13 . 1 1 79 79 VAL CB C 79 32.800 32.800 33.294 -0.494 19749 7159 1 13 . 1 1 79 79 VAL H H 79 7.400 7.400 7.658 -0.258 19749 7160 1 13 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.326 0.094 19749 7161 1 13 . 1 1 80 80 PRO C C 80 176.900 176.900 176.379 0.521 19749 7162 1 13 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.377 -0.077 19749 7163 1 13 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.667 0.633 19749 7164 1 13 . 1 1 81 81 VAL N N 81 121.600 121.600 125.105 -3.505 19749 7165 1 13 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.029 0.011 19749 7166 1 13 . 1 1 81 81 VAL C C 81 175.800 175.800 176.069 -0.269 19749 7167 1 13 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.452 0.548 19749 7168 1 13 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.996 -0.196 19749 7169 1 13 . 1 1 81 81 VAL H H 81 8.390 8.390 8.268 0.122 19749 7170 1 13 . 1 1 82 82 ARG N N 82 125.400 125.400 129.108 -3.708 19749 7171 1 13 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.481 -0.031 19749 7172 1 13 . 1 1 82 82 ARG C C 82 173.900 173.900 174.445 -0.545 19749 7173 1 13 . 1 1 82 82 ARG CA C 82 55.000 55.000 53.729 1.271 19749 7174 1 13 . 1 1 82 82 ARG CB C 82 32.300 32.300 30.441 1.859 19749 7175 1 13 . 1 1 82 82 ARG H H 82 8.170 8.170 8.627 -0.457 19749 7176 1 13 . 1 1 83 83 ARG N N 83 121.200 121.200 125.009 -3.809 19749 7177 1 13 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.605 0.725 19749 7178 1 13 . 1 1 83 83 ARG C C 83 175.600 175.600 174.144 1.456 19749 7179 1 13 . 1 1 83 83 ARG CA C 83 54.500 54.500 54.783 -0.283 19749 7180 1 13 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.913 1.587 19749 7181 1 13 . 1 1 83 83 ARG H H 83 8.060 8.060 8.358 -0.298 19749 7182 1 13 . 1 1 84 84 PHE N N 84 118.600 118.600 121.065 -2.465 19749 7183 1 13 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.722 0.228 19749 7184 1 13 . 1 1 84 84 PHE C C 84 175.200 175.200 174.411 0.789 19749 7185 1 13 . 1 1 84 84 PHE CA C 84 57.100 57.100 57.098 0.002 19749 7186 1 13 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.294 2.206 19749 7187 1 13 . 1 1 84 84 PHE H H 84 9.320 9.320 8.733 0.587 19749 7188 1 13 . 1 1 85 85 GLN N N 85 120.800 120.800 119.652 1.148 19749 7189 1 13 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.552 -0.502 19749 7190 1 13 . 1 1 85 85 GLN C C 85 176.000 176.000 175.767 0.233 19749 7191 1 13 . 1 1 85 85 GLN CA C 85 58.400 58.400 55.310 3.090 19749 7192 1 13 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.843 -0.543 19749 7193 1 13 . 1 1 85 85 GLN H H 85 9.660 9.660 8.808 0.852 19749 7194 1 13 . 1 1 86 86 THR N N 86 103.000 103.000 114.059 -11.059 19749 7195 1 13 . 1 1 86 86 THR HA H 86 4.810 4.810 4.518 0.292 19749 7196 1 13 . 1 1 86 86 THR C C 86 174.500 174.500 174.423 0.077 19749 7197 1 13 . 1 1 86 86 THR CA C 86 58.700 58.700 60.421 -1.721 19749 7198 1 13 . 1 1 86 86 THR CB C 86 73.400 73.400 71.216 2.184 19749 7199 1 13 . 1 1 86 86 THR H H 86 7.260 7.260 7.546 -0.286 19749 7200 1 13 . 1 1 87 87 LEU N N 87 122.200 122.200 125.472 -3.272 19749 7201 1 13 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.941 -0.111 19749 7202 1 13 . 1 1 87 87 LEU C C 87 178.600 178.600 178.468 0.132 19749 7203 1 13 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.417 -0.317 19749 7204 1 13 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.514 0.886 19749 7205 1 13 . 1 1 87 87 LEU H H 87 9.150 9.150 8.794 0.356 19749 7206 1 13 . 1 1 88 88 GLY N N 88 105.200 105.200 105.986 -0.786 19749 7207 1 13 . 1 1 88 88 GLY C C 88 176.900 176.900 176.063 0.837 19749 7208 1 13 . 1 1 88 88 GLY CA C 88 47.400 47.400 46.994 0.406 19749 7209 1 13 . 1 1 88 88 GLY H H 88 8.870 8.870 8.690 0.180 19749 7210 1 13 . 1 1 89 89 GLU N N 89 122.000 122.000 121.975 0.025 19749 7211 1 13 . 1 1 89 89 GLU HA H 89 3.930 3.930 3.933 -0.003 19749 7212 1 13 . 1 1 89 89 GLU C C 89 177.600 177.600 178.062 -0.462 19749 7213 1 13 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.162 0.738 19749 7214 1 13 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.276 1.724 19749 7215 1 13 . 1 1 89 89 GLU H H 89 7.670 7.670 7.418 0.252 19749 7216 1 13 . 1 1 90 90 LEU N N 90 122.300 122.300 121.100 1.200 19749 7217 1 13 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.404 0.026 19749 7218 1 13 . 1 1 90 90 LEU C C 90 177.200 177.200 178.017 -0.817 19749 7219 1 13 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.336 1.364 19749 7220 1 13 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.453 0.647 19749 7221 1 13 . 1 1 90 90 LEU H H 90 6.880 6.880 6.852 0.028 19749 7222 1 13 . 1 1 91 91 ILE N N 91 118.800 118.800 117.040 1.760 19749 7223 1 13 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.428 -0.318 19749 7224 1 13 . 1 1 91 91 ILE C C 91 177.700 177.700 178.414 -0.714 19749 7225 1 13 . 1 1 91 91 ILE CA C 91 61.400 61.400 63.006 -1.606 19749 7226 1 13 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.934 -0.534 19749 7227 1 13 . 1 1 91 91 ILE H H 91 7.880 7.880 7.966 -0.086 19749 7228 1 13 . 1 1 92 92 GLY N N 92 103.900 103.900 107.908 -4.008 19749 7229 1 13 . 1 1 92 92 GLY C C 92 176.400 176.400 176.604 -0.204 19749 7230 1 13 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.974 -0.174 19749 7231 1 13 . 1 1 92 92 GLY H H 92 7.570 7.570 7.764 -0.194 19749 7232 1 13 . 1 1 93 93 LEU N N 93 123.200 123.200 122.577 0.623 19749 7233 1 13 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.186 -0.106 19749 7234 1 13 . 1 1 93 93 LEU C C 93 179.100 179.100 178.672 0.428 19749 7235 1 13 . 1 1 93 93 LEU CA C 93 57.400 57.400 56.695 0.705 19749 7236 1 13 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.694 -1.895 19749 7237 1 13 . 1 1 93 93 LEU H H 93 7.360 7.360 7.576 -0.216 19749 7238 1 13 . 1 1 94 94 TYR N N 94 114.000 114.000 116.734 -2.734 19749 7239 1 13 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.853 -0.623 19749 7240 1 13 . 1 1 94 94 TYR C C 94 175.600 175.600 176.734 -1.134 19749 7241 1 13 . 1 1 94 94 TYR CA C 94 60.200 60.200 56.058 4.142 19749 7242 1 13 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.612 -0.012 19749 7243 1 13 . 1 1 94 94 TYR H H 94 7.380 7.380 8.225 -0.845 19749 7244 1 13 . 1 1 95 95 ALA N N 95 123.100 123.100 119.639 3.461 19749 7245 1 13 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.434 -0.074 19749 7246 1 13 . 1 1 95 95 ALA C C 95 177.300 177.300 176.456 0.844 19749 7247 1 13 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.059 1.841 19749 7248 1 13 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.442 0.558 19749 7249 1 13 . 1 1 95 95 ALA H H 95 7.330 7.330 7.413 -0.083 19749 7250 1 13 . 1 1 96 96 GLN N N 96 116.500 116.500 117.556 -1.056 19749 7251 1 13 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.676 -0.136 19749 7252 1 13 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.076 0.924 19749 7253 1 13 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.521 0.079 19749 7254 1 13 . 1 1 96 96 GLN H H 96 7.620 7.620 7.170 0.450 19749 7255 1 13 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.255 -0.015 19749 7256 1 13 . 1 1 97 97 PRO C C 97 176.800 176.800 175.922 0.878 19749 7257 1 13 . 1 1 97 97 PRO CA C 97 62.800 62.800 64.145 -1.345 19749 7258 1 13 . 1 1 97 97 PRO CB C 97 32.800 32.800 31.737 1.063 19749 7259 1 13 . 1 1 98 98 ASN N N 98 114.900 114.900 121.924 -7.024 19749 7260 1 13 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.617 -0.137 19749 7261 1 13 . 1 1 98 98 ASN C C 98 175.100 175.100 174.882 0.218 19749 7262 1 13 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.542 0.758 19749 7263 1 13 . 1 1 98 98 ASN CB C 98 36.900 36.900 38.965 -2.065 19749 7264 1 13 . 1 1 98 98 ASN H H 98 8.960 8.960 8.513 0.447 19749 7265 1 13 . 1 1 99 99 GLN N N 99 115.400 115.400 118.529 -3.129 19749 7266 1 13 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.199 0.301 19749 7267 1 13 . 1 1 99 99 GLN C C 99 176.100 176.100 174.693 1.407 19749 7268 1 13 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.668 -1.368 19749 7269 1 13 . 1 1 99 99 GLN CB C 99 29.600 29.600 28.729 0.871 19749 7270 1 13 . 1 1 99 99 GLN H H 99 8.610 8.610 8.024 0.586 19749 7271 1 13 . 1 1 100 100 GLY N N 100 107.400 107.400 110.151 -2.751 19749 7272 1 13 . 1 1 100 100 GLY C C 100 174.600 174.600 173.642 0.958 19749 7273 1 13 . 1 1 100 100 GLY CA C 100 45.400 45.400 44.870 0.530 19749 7274 1 13 . 1 1 100 100 GLY H H 100 8.460 8.460 8.285 0.175 19749 7275 1 13 . 1 1 101 101 LEU N N 101 118.400 118.400 122.105 -3.705 19749 7276 1 13 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.241 0.139 19749 7277 1 13 . 1 1 101 101 LEU C C 101 178.000 178.000 178.539 -0.539 19749 7278 1 13 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.121 -1.222 19749 7279 1 13 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.457 -0.057 19749 7280 1 13 . 1 1 101 101 LEU H H 101 8.020 8.020 7.317 0.703 19749 7281 1 13 . 1 1 102 102 VAL N N 102 114.700 114.700 119.222 -4.522 19749 7282 1 13 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.770 -0.180 19749 7283 1 13 . 1 1 102 102 VAL C C 102 173.600 173.600 175.726 -2.126 19749 7284 1 13 . 1 1 102 102 VAL CA C 102 63.600 63.600 63.913 -0.313 19749 7285 1 13 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.002 -0.902 19749 7286 1 13 . 1 1 102 102 VAL H H 102 7.260 7.260 8.482 -1.222 19749 7287 1 13 . 1 1 103 103 CYS N N 103 112.400 112.400 114.586 -2.186 19749 7288 1 13 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.285 -0.045 19749 7289 1 13 . 1 1 103 103 CYS C C 103 170.600 170.600 173.113 -2.513 19749 7290 1 13 . 1 1 103 103 CYS CA C 103 56.100 56.100 56.561 -0.461 19749 7291 1 13 . 1 1 103 103 CYS CB C 103 29.600 29.600 29.238 0.363 19749 7292 1 13 . 1 1 103 103 CYS H H 103 6.920 6.920 7.307 -0.387 19749 7293 1 13 . 1 1 104 104 ALA N N 104 119.600 119.600 122.032 -2.432 19749 7294 1 13 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.305 -0.095 19749 7295 1 13 . 1 1 104 104 ALA C C 104 176.300 176.300 177.224 -0.924 19749 7296 1 13 . 1 1 104 104 ALA CA C 104 51.600 51.600 51.467 0.133 19749 7297 1 13 . 1 1 104 104 ALA CB C 104 19.400 19.400 19.716 -0.316 19749 7298 1 13 . 1 1 104 104 ALA H H 104 7.840 7.840 7.967 -0.127 19749 7299 1 13 . 1 1 105 105 LEU N N 105 117.100 117.100 121.110 -4.010 19749 7300 1 13 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.878 -0.098 19749 7301 1 13 . 1 1 105 105 LEU C C 105 175.400 175.400 176.483 -1.083 19749 7302 1 13 . 1 1 105 105 LEU CA C 105 53.600 53.600 55.091 -1.491 19749 7303 1 13 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.533 -2.133 19749 7304 1 13 . 1 1 105 105 LEU H H 105 7.610 7.610 8.022 -0.412 19749 7305 1 13 . 1 1 106 106 LEU N N 106 124.700 124.700 126.347 -1.647 19749 7306 1 13 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.540 0.060 19749 7307 1 13 . 1 1 106 106 LEU C C 106 177.600 177.600 176.913 0.687 19749 7308 1 13 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.558 0.742 19749 7309 1 13 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.443 2.557 19749 7310 1 13 . 1 1 106 106 LEU H H 106 8.160 8.160 8.520 -0.360 19749 7311 1 13 . 1 1 107 107 LEU N N 107 121.400 121.400 120.220 1.180 19749 7312 1 13 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.940 0.170 19749 7313 1 13 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.015 -0.315 19749 7314 1 13 . 1 1 107 107 LEU CB C 107 44.600 44.600 42.041 2.559 19749 7315 1 13 . 1 1 107 107 LEU H H 107 7.930 7.930 7.825 0.105 19749 7316 1 13 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.170 -0.740 19749 7317 1 13 . 1 1 108 108 PRO C C 108 176.500 176.500 176.551 -0.051 19749 7318 1 13 . 1 1 108 108 PRO CA C 108 62.400 62.400 62.262 0.138 19749 7319 1 13 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.579 0.221 19749 7320 1 14 . 1 1 10 10 HIS C C 10 175.000 175.000 174.527 0.473 19749 7321 1 14 . 1 1 10 10 HIS CA C 10 55.900 55.900 56.855 -0.955 19749 7322 1 14 . 1 1 10 10 HIS CB C 10 29.900 29.900 27.776 2.124 19749 7323 1 14 . 1 1 11 11 MET N N 11 120.400 120.400 113.671 6.729 19749 7324 1 14 . 1 1 11 11 MET HA H 11 4.000 4.000 4.301 -0.301 19749 7325 1 14 . 1 1 11 11 MET C C 11 177.500 177.500 175.119 2.381 19749 7326 1 14 . 1 1 11 11 MET CA C 11 54.100 54.100 55.599 -1.499 19749 7327 1 14 . 1 1 11 11 MET CB C 11 31.500 31.500 30.632 0.868 19749 7328 1 14 . 1 1 11 11 MET H H 11 7.800 7.800 7.959 -0.159 19749 7329 1 14 . 1 1 12 12 SER N N 12 118.600 118.600 118.204 0.396 19749 7330 1 14 . 1 1 12 12 SER HA H 12 3.860 3.860 4.270 -0.410 19749 7331 1 14 . 1 1 12 12 SER C C 12 173.900 173.900 175.100 -1.200 19749 7332 1 14 . 1 1 12 12 SER CA C 12 61.200 61.200 60.248 0.952 19749 7333 1 14 . 1 1 12 12 SER CB C 12 62.500 62.500 63.545 -1.046 19749 7334 1 14 . 1 1 12 12 SER H H 12 8.520 8.520 8.032 0.488 19749 7335 1 14 . 1 1 13 13 TRP N N 13 113.400 113.400 115.252 -1.852 19749 7336 1 14 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.725 0.165 19749 7337 1 14 . 1 1 13 13 TRP C C 13 176.000 176.000 174.604 1.396 19749 7338 1 14 . 1 1 13 13 TRP CA C 13 53.800 53.800 54.926 -1.127 19749 7339 1 14 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.368 0.732 19749 7340 1 14 . 1 1 13 13 TRP H H 13 6.180 6.180 7.497 -1.317 19749 7341 1 14 . 1 1 14 14 TYR N N 14 123.200 123.200 122.685 0.515 19749 7342 1 14 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.623 -0.053 19749 7343 1 14 . 1 1 14 14 TYR C C 14 174.700 174.700 174.400 0.300 19749 7344 1 14 . 1 1 14 14 TYR CA C 14 56.000 56.000 56.124 -0.124 19749 7345 1 14 . 1 1 14 14 TYR CB C 14 37.900 37.900 40.075 -2.175 19749 7346 1 14 . 1 1 14 14 TYR H H 14 7.430 7.430 7.280 0.150 19749 7347 1 14 . 1 1 15 15 HIS N N 15 126.900 126.900 125.315 1.585 19749 7348 1 14 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.733 -0.183 19749 7349 1 14 . 1 1 15 15 HIS C C 15 173.300 173.300 175.123 -1.823 19749 7350 1 14 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.881 -1.781 19749 7351 1 14 . 1 1 15 15 HIS CB C 15 30.400 30.400 33.720 -3.320 19749 7352 1 14 . 1 1 15 15 HIS H H 15 8.680 8.680 8.262 0.418 19749 7353 1 14 . 1 1 16 16 ARG N N 16 122.500 122.500 122.739 -0.239 19749 7354 1 14 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.846 0.104 19749 7355 1 14 . 1 1 16 16 ARG C C 16 176.100 176.100 177.168 -1.068 19749 7356 1 14 . 1 1 16 16 ARG CA C 16 57.300 57.300 60.393 -3.093 19749 7357 1 14 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.360 -0.260 19749 7358 1 14 . 1 1 16 16 ARG H H 16 7.740 7.740 8.719 -0.979 19749 7359 1 14 . 1 1 17 17 ASP N N 17 119.100 119.100 117.377 1.723 19749 7360 1 14 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.621 -0.101 19749 7361 1 14 . 1 1 17 17 ASP C C 17 174.900 174.900 176.395 -1.495 19749 7362 1 14 . 1 1 17 17 ASP CA C 17 54.800 54.800 53.934 0.866 19749 7363 1 14 . 1 1 17 17 ASP CB C 17 39.900 39.900 41.006 -1.106 19749 7364 1 14 . 1 1 17 17 ASP H H 17 8.900 8.900 8.208 0.692 19749 7365 1 14 . 1 1 18 18 LEU N N 18 121.000 121.000 120.750 0.250 19749 7366 1 14 . 1 1 18 18 LEU HA H 18 4.510 4.510 3.978 0.532 19749 7367 1 14 . 1 1 18 18 LEU C C 18 176.300 176.300 175.166 1.134 19749 7368 1 14 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.884 -0.384 19749 7369 1 14 . 1 1 18 18 LEU CB C 18 44.800 44.800 42.426 2.374 19749 7370 1 14 . 1 1 18 18 LEU H H 18 7.280 7.280 8.088 -0.808 19749 7371 1 14 . 1 1 19 19 SER N N 19 123.400 123.400 118.782 4.618 19749 7372 1 14 . 1 1 19 19 SER HA H 19 4.440 4.440 4.387 0.053 19749 7373 1 14 . 1 1 19 19 SER C C 19 173.900 173.900 175.855 -1.955 19749 7374 1 14 . 1 1 19 19 SER CA C 19 57.700 57.700 57.516 0.184 19749 7375 1 14 . 1 1 19 19 SER CB C 19 65.200 65.200 64.088 1.112 19749 7376 1 14 . 1 1 19 19 SER H H 19 8.650 8.650 8.455 0.195 19749 7377 1 14 . 1 1 20 20 ARG N N 20 121.700 121.700 127.288 -5.588 19749 7378 1 14 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.017 -0.307 19749 7379 1 14 . 1 1 20 20 ARG C C 20 178.200 178.200 177.769 0.431 19749 7380 1 14 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.526 1.074 19749 7381 1 14 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.082 0.018 19749 7382 1 14 . 1 1 20 20 ARG H H 20 8.970 8.970 8.969 0.001 19749 7383 1 14 . 1 1 21 21 ALA N N 21 119.900 119.900 122.098 -2.198 19749 7384 1 14 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.057 -0.017 19749 7385 1 14 . 1 1 21 21 ALA C C 21 180.600 180.600 179.411 1.189 19749 7386 1 14 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.016 0.184 19749 7387 1 14 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.093 0.207 19749 7388 1 14 . 1 1 21 21 ALA H H 21 8.670 8.670 7.880 0.790 19749 7389 1 14 . 1 1 22 22 ALA N N 22 121.000 121.000 120.796 0.204 19749 7390 1 14 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.064 0.066 19749 7391 1 14 . 1 1 22 22 ALA C C 22 180.900 180.900 179.397 1.503 19749 7392 1 14 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.420 0.280 19749 7393 1 14 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.272 0.728 19749 7394 1 14 . 1 1 22 22 ALA H H 22 7.890 7.890 8.273 -0.383 19749 7395 1 14 . 1 1 23 23 ALA N N 23 121.700 121.700 121.905 -0.205 19749 7396 1 14 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.978 -0.098 19749 7397 1 14 . 1 1 23 23 ALA C C 23 178.700 178.700 179.425 -0.725 19749 7398 1 14 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.113 -0.013 19749 7399 1 14 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.121 1.079 19749 7400 1 14 . 1 1 23 23 ALA H H 23 8.570 8.570 8.128 0.442 19749 7401 1 14 . 1 1 24 24 GLU N N 24 116.500 116.500 119.379 -2.879 19749 7402 1 14 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.851 -0.091 19749 7403 1 14 . 1 1 24 24 GLU C C 24 178.900 178.900 178.417 0.483 19749 7404 1 14 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.773 0.728 19749 7405 1 14 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.449 -0.949 19749 7406 1 14 . 1 1 24 24 GLU H H 24 8.200 8.200 8.185 0.015 19749 7407 1 14 . 1 1 25 25 GLU N N 25 120.000 120.000 119.915 0.085 19749 7408 1 14 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.063 -0.003 19749 7409 1 14 . 1 1 25 25 GLU C C 25 178.400 178.400 179.069 -0.669 19749 7410 1 14 . 1 1 25 25 GLU CA C 25 59.400 59.400 59.233 0.167 19749 7411 1 14 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.606 -0.106 19749 7412 1 14 . 1 1 25 25 GLU H H 25 7.690 7.690 7.523 0.167 19749 7413 1 14 . 1 1 26 26 LEU N N 26 120.200 120.200 119.451 0.749 19749 7414 1 14 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.002 -0.092 19749 7415 1 14 . 1 1 26 26 LEU C C 26 180.200 180.200 179.594 0.606 19749 7416 1 14 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.529 0.671 19749 7417 1 14 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.867 0.533 19749 7418 1 14 . 1 1 26 26 LEU H H 26 7.840 7.840 8.123 -0.283 19749 7419 1 14 . 1 1 27 27 LEU N N 27 117.800 117.800 119.792 -1.992 19749 7420 1 14 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.920 0.060 19749 7421 1 14 . 1 1 27 27 LEU C C 27 177.800 177.800 178.860 -1.060 19749 7422 1 14 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.979 -0.379 19749 7423 1 14 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.429 0.471 19749 7424 1 14 . 1 1 27 27 LEU H H 27 7.960 7.960 7.937 0.023 19749 7425 1 14 . 1 1 28 28 ALA N N 28 120.600 120.600 120.069 0.531 19749 7426 1 14 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.057 -0.157 19749 7427 1 14 . 1 1 28 28 ALA C C 28 180.900 180.900 178.815 2.085 19749 7428 1 14 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.540 0.660 19749 7429 1 14 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.512 -0.612 19749 7430 1 14 . 1 1 28 28 ALA H H 28 8.160 8.160 7.983 0.177 19749 7431 1 14 . 1 1 29 29 ARG N N 29 116.200 116.200 117.653 -1.453 19749 7432 1 14 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.175 -0.215 19749 7433 1 14 . 1 1 29 29 ARG C C 29 178.000 178.000 176.838 1.162 19749 7434 1 14 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.344 0.256 19749 7435 1 14 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.647 -0.347 19749 7436 1 14 . 1 1 29 29 ARG H H 29 7.760 7.760 8.124 -0.364 19749 7437 1 14 . 1 1 30 30 ALA N N 30 123.200 123.200 119.889 3.311 19749 7438 1 14 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.360 -0.160 19749 7439 1 14 . 1 1 30 30 ALA C C 30 182.000 182.000 177.602 4.398 19749 7440 1 14 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.432 1.468 19749 7441 1 14 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.736 -1.036 19749 7442 1 14 . 1 1 30 30 ALA H H 30 7.580 7.580 7.431 0.149 19749 7443 1 14 . 1 1 31 31 GLY N N 31 102.400 102.400 105.258 -2.858 19749 7444 1 14 . 1 1 31 31 GLY C C 31 174.800 174.800 173.177 1.623 19749 7445 1 14 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.493 3.607 19749 7446 1 14 . 1 1 31 31 GLY H H 31 7.690 7.690 8.105 -0.415 19749 7447 1 14 . 1 1 32 32 ARG N N 32 121.100 121.100 117.657 3.443 19749 7448 1 14 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.653 -0.193 19749 7449 1 14 . 1 1 32 32 ARG C C 32 176.500 176.500 174.860 1.640 19749 7450 1 14 . 1 1 32 32 ARG CA C 32 55.400 55.400 54.212 1.188 19749 7451 1 14 . 1 1 32 32 ARG CB C 32 32.600 32.600 32.655 -0.055 19749 7452 1 14 . 1 1 32 32 ARG H H 32 7.040 7.040 8.109 -1.069 19749 7453 1 14 . 1 1 33 33 ASP N N 33 126.100 126.100 119.294 6.806 19749 7454 1 14 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.637 0.133 19749 7455 1 14 . 1 1 33 33 ASP C C 33 176.800 176.800 177.645 -0.845 19749 7456 1 14 . 1 1 33 33 ASP CA C 33 56.000 56.000 55.316 0.684 19749 7457 1 14 . 1 1 33 33 ASP CB C 33 41.000 41.000 40.827 0.173 19749 7458 1 14 . 1 1 33 33 ASP H H 33 9.110 9.110 8.303 0.807 19749 7459 1 14 . 1 1 34 34 GLY N N 34 109.400 109.400 112.615 -3.215 19749 7460 1 14 . 1 1 34 34 GLY C C 34 175.800 175.800 175.108 0.692 19749 7461 1 14 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.060 0.940 19749 7462 1 14 . 1 1 34 34 GLY H H 34 9.440 9.440 8.989 0.451 19749 7463 1 14 . 1 1 35 35 SER N N 35 120.400 120.400 119.867 0.533 19749 7464 1 14 . 1 1 35 35 SER HA H 35 5.990 5.990 5.185 0.805 19749 7465 1 14 . 1 1 35 35 SER C C 35 173.400 173.400 173.998 -0.598 19749 7466 1 14 . 1 1 35 35 SER CA C 35 59.800 59.800 59.672 0.128 19749 7467 1 14 . 1 1 35 35 SER CB C 35 63.700 63.700 62.984 0.716 19749 7468 1 14 . 1 1 35 35 SER H H 35 8.050 8.050 7.680 0.370 19749 7469 1 14 . 1 1 36 36 PHE N N 36 122.000 122.000 122.816 -0.816 19749 7470 1 14 . 1 1 36 36 PHE HA H 36 6.040 6.040 6.083 -0.043 19749 7471 1 14 . 1 1 36 36 PHE C C 36 170.900 170.900 173.446 -2.546 19749 7472 1 14 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.152 1.148 19749 7473 1 14 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.121 1.279 19749 7474 1 14 . 1 1 36 36 PHE H H 36 8.730 8.730 8.607 0.123 19749 7475 1 14 . 1 1 37 37 LEU N N 37 112.500 112.500 115.269 -2.769 19749 7476 1 14 . 1 1 37 37 LEU HA H 37 5.050 5.050 4.955 0.095 19749 7477 1 14 . 1 1 37 37 LEU C C 37 175.100 175.100 174.619 0.481 19749 7478 1 14 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.304 0.196 19749 7479 1 14 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.113 0.087 19749 7480 1 14 . 1 1 37 37 LEU H H 37 9.000 9.000 8.396 0.604 19749 7481 1 14 . 1 1 38 38 VAL N N 38 120.200 120.200 119.145 1.055 19749 7482 1 14 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.741 -0.261 19749 7483 1 14 . 1 1 38 38 VAL C C 38 173.600 173.600 175.569 -1.969 19749 7484 1 14 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.782 0.417 19749 7485 1 14 . 1 1 38 38 VAL CB C 38 35.200 35.200 36.294 -1.093 19749 7486 1 14 . 1 1 38 38 VAL H H 38 9.830 9.830 9.003 0.827 19749 7487 1 14 . 1 1 39 39 ARG N N 39 124.000 124.000 120.972 3.028 19749 7488 1 14 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.343 0.177 19749 7489 1 14 . 1 1 39 39 ARG C C 39 174.700 174.700 174.340 0.360 19749 7490 1 14 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.757 -0.957 19749 7491 1 14 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.915 0.285 19749 7492 1 14 . 1 1 39 39 ARG H H 39 9.240 9.240 8.507 0.733 19749 7493 1 14 . 1 1 40 40 ASP N N 40 122.800 122.800 120.582 2.218 19749 7494 1 14 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.463 -0.513 19749 7495 1 14 . 1 1 40 40 ASP C C 40 176.500 176.500 176.414 0.086 19749 7496 1 14 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.178 2.722 19749 7497 1 14 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.337 -1.437 19749 7498 1 14 . 1 1 40 40 ASP H H 40 9.060 9.060 8.184 0.876 19749 7499 1 14 . 1 1 41 41 SER N N 41 113.600 113.600 123.862 -10.262 19749 7500 1 14 . 1 1 41 41 SER HA H 41 4.200 4.200 4.364 -0.164 19749 7501 1 14 . 1 1 41 41 SER C C 41 175.700 175.700 175.108 0.592 19749 7502 1 14 . 1 1 41 41 SER CA C 41 58.400 58.400 58.749 -0.349 19749 7503 1 14 . 1 1 41 41 SER CB C 41 63.900 63.900 62.619 1.281 19749 7504 1 14 . 1 1 41 41 SER H H 41 7.870 7.870 8.581 -0.711 19749 7505 1 14 . 1 1 42 42 GLU N N 42 127.200 127.200 127.378 -0.178 19749 7506 1 14 . 1 1 42 42 GLU HA H 42 4.390 4.390 3.905 0.485 19749 7507 1 14 . 1 1 42 42 GLU C C 42 176.500 176.500 177.817 -1.317 19749 7508 1 14 . 1 1 42 42 GLU CA C 42 57.700 57.700 59.207 -1.507 19749 7509 1 14 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.041 0.459 19749 7510 1 14 . 1 1 42 42 GLU H H 42 9.600 9.600 8.216 1.384 19749 7511 1 14 . 1 1 43 43 SER N N 43 113.400 113.400 110.708 2.692 19749 7512 1 14 . 1 1 43 43 SER HA H 43 4.590 4.590 4.417 0.173 19749 7513 1 14 . 1 1 43 43 SER C C 43 174.000 174.000 175.159 -1.159 19749 7514 1 14 . 1 1 43 43 SER CA C 43 59.400 59.400 59.711 -0.311 19749 7515 1 14 . 1 1 43 43 SER CB C 43 65.100 65.100 63.292 1.808 19749 7516 1 14 . 1 1 43 43 SER H H 43 8.110 8.110 8.028 0.082 19749 7517 1 14 . 1 1 44 44 VAL N N 44 123.200 123.200 120.621 2.579 19749 7518 1 14 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.178 -0.038 19749 7519 1 14 . 1 1 44 44 VAL C C 44 174.800 174.800 175.544 -0.744 19749 7520 1 14 . 1 1 44 44 VAL CA C 44 61.700 61.700 62.848 -1.148 19749 7521 1 14 . 1 1 44 44 VAL CB C 44 33.700 33.700 33.140 0.560 19749 7522 1 14 . 1 1 44 44 VAL H H 44 7.620 7.620 7.394 0.226 19749 7523 1 14 . 1 1 45 45 ALA N N 45 130.900 130.900 121.873 9.027 19749 7524 1 14 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.109 0.041 19749 7525 1 14 . 1 1 45 45 ALA C C 45 178.700 178.700 177.220 1.480 19749 7526 1 14 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.111 1.589 19749 7527 1 14 . 1 1 45 45 ALA CB C 45 18.100 18.100 17.726 0.374 19749 7528 1 14 . 1 1 45 45 ALA H H 45 8.480 8.480 8.180 0.300 19749 7529 1 14 . 1 1 46 46 GLY N N 46 111.400 111.400 110.904 0.496 19749 7530 1 14 . 1 1 46 46 GLY C C 46 171.700 171.700 173.053 -1.353 19749 7531 1 14 . 1 1 46 46 GLY CA C 46 45.400 45.400 45.202 0.198 19749 7532 1 14 . 1 1 46 46 GLY H H 46 8.600 8.600 8.686 -0.086 19749 7533 1 14 . 1 1 47 47 ALA N N 47 117.600 117.600 121.046 -3.446 19749 7534 1 14 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.497 0.383 19749 7535 1 14 . 1 1 47 47 ALA C C 47 177.200 177.200 174.822 2.378 19749 7536 1 14 . 1 1 47 47 ALA CA C 47 49.800 49.800 51.258 -1.458 19749 7537 1 14 . 1 1 47 47 ALA CB C 47 21.700 21.700 22.056 -0.356 19749 7538 1 14 . 1 1 47 47 ALA H H 47 7.340 7.340 7.516 -0.176 19749 7539 1 14 . 1 1 48 48 PHE N N 48 117.100 117.100 120.318 -3.218 19749 7540 1 14 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.730 -0.360 19749 7541 1 14 . 1 1 48 48 PHE C C 48 174.100 174.100 174.642 -0.542 19749 7542 1 14 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.087 0.413 19749 7543 1 14 . 1 1 48 48 PHE CB C 48 43.900 43.900 42.234 1.666 19749 7544 1 14 . 1 1 48 48 PHE H H 48 9.160 9.160 8.749 0.411 19749 7545 1 14 . 1 1 49 49 ALA N N 49 125.600 125.600 126.083 -0.483 19749 7546 1 14 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.128 0.062 19749 7547 1 14 . 1 1 49 49 ALA C C 49 174.900 174.900 175.386 -0.486 19749 7548 1 14 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.245 0.955 19749 7549 1 14 . 1 1 49 49 ALA CB C 49 20.400 20.400 21.071 -0.671 19749 7550 1 14 . 1 1 49 49 ALA H H 49 9.630 9.630 9.260 0.370 19749 7551 1 14 . 1 1 50 50 LEU N N 50 127.100 127.100 126.520 0.580 19749 7552 1 14 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.546 -0.476 19749 7553 1 14 . 1 1 50 50 LEU C C 50 174.500 174.500 175.556 -1.056 19749 7554 1 14 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.560 0.440 19749 7555 1 14 . 1 1 50 50 LEU CB C 50 43.900 43.900 44.500 -0.600 19749 7556 1 14 . 1 1 50 50 LEU H H 50 9.350 9.350 8.494 0.856 19749 7557 1 14 . 1 1 51 51 CYS N N 51 127.300 127.300 128.164 -0.864 19749 7558 1 14 . 1 1 51 51 CYS HA H 51 5.410 5.410 4.878 0.532 19749 7559 1 14 . 1 1 51 51 CYS C C 51 173.000 173.000 173.455 -0.455 19749 7560 1 14 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.861 -0.660 19749 7561 1 14 . 1 1 51 51 CYS CB C 51 30.400 30.400 27.916 2.483 19749 7562 1 14 . 1 1 51 51 CYS H H 51 9.300 9.300 8.929 0.371 19749 7563 1 14 . 1 1 52 52 VAL N N 52 123.100 123.100 126.396 -3.296 19749 7564 1 14 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.732 0.428 19749 7565 1 14 . 1 1 52 52 VAL C C 52 173.800 173.800 174.624 -0.824 19749 7566 1 14 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.660 -1.760 19749 7567 1 14 . 1 1 52 52 VAL CB C 52 36.300 36.300 33.973 2.327 19749 7568 1 14 . 1 1 52 52 VAL H H 52 9.460 9.460 8.968 0.492 19749 7569 1 14 . 1 1 53 53 LEU N N 53 130.700 130.700 129.881 0.819 19749 7570 1 14 . 1 1 53 53 LEU HA H 53 4.980 4.980 4.678 0.302 19749 7571 1 14 . 1 1 53 53 LEU C C 53 175.200 175.200 174.267 0.933 19749 7572 1 14 . 1 1 53 53 LEU CA C 53 54.000 54.000 54.933 -0.933 19749 7573 1 14 . 1 1 53 53 LEU CB C 53 45.300 45.300 43.951 1.349 19749 7574 1 14 . 1 1 53 53 LEU H H 53 9.320 9.320 8.896 0.424 19749 7575 1 14 . 1 1 54 54 TYR N N 54 125.700 125.700 127.629 -1.929 19749 7576 1 14 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.854 0.056 19749 7577 1 14 . 1 1 54 54 TYR C C 54 175.400 175.400 174.066 1.334 19749 7578 1 14 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.682 1.018 19749 7579 1 14 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.020 1.680 19749 7580 1 14 . 1 1 54 54 TYR H H 54 9.260 9.260 8.669 0.591 19749 7581 1 14 . 1 1 55 55 GLN N N 55 129.900 129.900 127.225 2.675 19749 7582 1 14 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.806 -0.106 19749 7583 1 14 . 1 1 55 55 GLN C C 55 175.900 175.900 175.388 0.512 19749 7584 1 14 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.580 0.120 19749 7585 1 14 . 1 1 55 55 GLN CB C 55 25.600 25.600 27.164 -1.564 19749 7586 1 14 . 1 1 55 55 GLN H H 55 9.750 9.750 8.806 0.944 19749 7587 1 14 . 1 1 56 56 LYS N N 56 107.600 107.600 113.967 -6.367 19749 7588 1 14 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.798 -0.358 19749 7589 1 14 . 1 1 56 56 LYS C C 56 174.800 174.800 175.143 -0.343 19749 7590 1 14 . 1 1 56 56 LYS CA C 56 58.400 58.400 58.144 0.256 19749 7591 1 14 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.627 -1.827 19749 7592 1 14 . 1 1 56 56 LYS H H 56 8.920 8.920 8.603 0.317 19749 7593 1 14 . 1 1 57 57 HIS N N 57 118.200 118.200 119.147 -0.947 19749 7594 1 14 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.678 0.222 19749 7595 1 14 . 1 1 57 57 HIS C C 57 173.400 173.400 174.958 -1.558 19749 7596 1 14 . 1 1 57 57 HIS CA C 57 54.300 54.300 55.764 -1.464 19749 7597 1 14 . 1 1 57 57 HIS CB C 57 31.900 31.900 29.390 2.510 19749 7598 1 14 . 1 1 57 57 HIS H H 57 7.980 7.980 7.741 0.239 19749 7599 1 14 . 1 1 58 58 VAL N N 58 124.500 124.500 126.144 -1.644 19749 7600 1 14 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.440 -0.100 19749 7601 1 14 . 1 1 58 58 VAL C C 58 175.700 175.700 175.418 0.282 19749 7602 1 14 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.827 1.273 19749 7603 1 14 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.412 -0.412 19749 7604 1 14 . 1 1 58 58 VAL H H 58 8.800 8.800 8.216 0.584 19749 7605 1 14 . 1 1 59 59 HIS N N 59 132.200 132.200 128.032 4.168 19749 7606 1 14 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.732 -0.212 19749 7607 1 14 . 1 1 59 59 HIS C C 59 174.100 174.100 174.646 -0.546 19749 7608 1 14 . 1 1 59 59 HIS CA C 59 55.700 55.700 55.296 0.404 19749 7609 1 14 . 1 1 59 59 HIS CB C 59 32.200 32.200 30.558 1.642 19749 7610 1 14 . 1 1 59 59 HIS H H 59 9.830 9.830 9.254 0.576 19749 7611 1 14 . 1 1 60 60 THR N N 60 119.300 119.300 114.192 5.108 19749 7612 1 14 . 1 1 60 60 THR HA H 60 5.280 5.280 4.995 0.285 19749 7613 1 14 . 1 1 60 60 THR C C 60 173.700 173.700 172.858 0.842 19749 7614 1 14 . 1 1 60 60 THR CA C 60 62.100 62.100 60.066 2.034 19749 7615 1 14 . 1 1 60 60 THR CB C 60 70.300 70.300 70.674 -0.374 19749 7616 1 14 . 1 1 60 60 THR H H 60 8.420 8.420 8.149 0.271 19749 7617 1 14 . 1 1 61 61 TYR N N 61 127.000 127.000 121.485 5.515 19749 7618 1 14 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.839 -0.039 19749 7619 1 14 . 1 1 61 61 TYR C C 61 175.000 175.000 175.444 -0.444 19749 7620 1 14 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.359 0.140 19749 7621 1 14 . 1 1 61 61 TYR CB C 61 40.900 40.900 40.390 0.510 19749 7622 1 14 . 1 1 61 61 TYR H H 61 9.810 9.810 8.192 1.618 19749 7623 1 14 . 1 1 62 62 ARG N N 62 124.200 124.200 124.894 -0.694 19749 7624 1 14 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.622 0.088 19749 7625 1 14 . 1 1 62 62 ARG C C 62 175.000 175.000 175.268 -0.268 19749 7626 1 14 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.482 1.418 19749 7627 1 14 . 1 1 62 62 ARG CB C 62 31.500 31.500 28.432 3.068 19749 7628 1 14 . 1 1 62 62 ARG H H 62 9.240 9.240 8.606 0.634 19749 7629 1 14 . 1 1 63 63 ILE N N 63 124.100 124.100 125.826 -1.726 19749 7630 1 14 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.104 0.656 19749 7631 1 14 . 1 1 63 63 ILE C C 63 174.900 174.900 174.608 0.292 19749 7632 1 14 . 1 1 63 63 ILE CA C 63 60.500 60.500 61.836 -1.335 19749 7633 1 14 . 1 1 63 63 ILE CB C 63 39.600 39.600 38.854 0.746 19749 7634 1 14 . 1 1 63 63 ILE H H 63 8.810 8.810 8.506 0.304 19749 7635 1 14 . 1 1 64 64 LEU N N 64 126.200 126.200 127.501 -1.301 19749 7636 1 14 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.981 0.219 19749 7637 1 14 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.904 -0.304 19749 7638 1 14 . 1 1 64 64 LEU CB C 64 44.200 44.200 43.892 0.308 19749 7639 1 14 . 1 1 64 64 LEU H H 64 8.660 8.660 8.147 0.513 19749 7640 1 14 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.663 0.567 19749 7641 1 14 . 1 1 65 65 PRO C C 65 177.000 177.000 176.272 0.728 19749 7642 1 14 . 1 1 65 65 PRO CA C 65 62.500 62.500 63.898 -1.398 19749 7643 1 14 . 1 1 65 65 PRO CB C 65 32.300 32.300 31.714 0.586 19749 7644 1 14 . 1 1 66 66 ASP N N 66 124.500 124.500 124.860 -0.360 19749 7645 1 14 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.878 0.022 19749 7646 1 14 . 1 1 66 66 ASP C C 66 177.200 177.200 175.801 1.399 19749 7647 1 14 . 1 1 66 66 ASP CA C 66 52.600 52.600 53.610 -1.010 19749 7648 1 14 . 1 1 66 66 ASP CB C 66 43.000 43.000 42.238 0.762 19749 7649 1 14 . 1 1 66 66 ASP H H 66 8.650 8.650 8.624 0.026 19749 7650 1 14 . 1 1 67 67 GLY N N 67 108.300 108.300 108.122 0.178 19749 7651 1 14 . 1 1 67 67 GLY C C 67 174.700 174.700 174.513 0.187 19749 7652 1 14 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.705 0.195 19749 7653 1 14 . 1 1 67 67 GLY H H 67 8.420 8.420 7.592 0.828 19749 7654 1 14 . 1 1 68 68 GLU N N 68 120.300 120.300 121.285 -0.985 19749 7655 1 14 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.037 0.303 19749 7656 1 14 . 1 1 68 68 GLU C C 68 176.100 176.100 176.033 0.067 19749 7657 1 14 . 1 1 68 68 GLU CA C 68 56.800 56.800 59.283 -2.483 19749 7658 1 14 . 1 1 68 68 GLU CB C 68 30.300 30.300 29.673 0.627 19749 7659 1 14 . 1 1 68 68 GLU H H 68 8.580 8.580 8.873 -0.293 19749 7660 1 14 . 1 1 69 69 ASP N N 69 115.000 115.000 118.222 -3.222 19749 7661 1 14 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.767 -0.247 19749 7662 1 14 . 1 1 69 69 ASP C C 69 175.500 175.500 174.441 1.059 19749 7663 1 14 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.339 1.561 19749 7664 1 14 . 1 1 69 69 ASP CB C 69 40.600 40.600 42.186 -1.586 19749 7665 1 14 . 1 1 69 69 ASP H H 69 8.360 8.360 8.345 0.015 19749 7666 1 14 . 1 1 70 70 PHE N N 70 117.200 117.200 118.092 -0.892 19749 7667 1 14 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.385 -0.395 19749 7668 1 14 . 1 1 70 70 PHE C C 70 175.700 175.700 174.148 1.552 19749 7669 1 14 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.395 1.205 19749 7670 1 14 . 1 1 70 70 PHE CB C 70 41.700 41.700 42.992 -1.292 19749 7671 1 14 . 1 1 70 70 PHE H H 70 8.120 8.120 8.293 -0.173 19749 7672 1 14 . 1 1 71 71 LEU N N 71 120.900 120.900 121.685 -0.785 19749 7673 1 14 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.152 -0.202 19749 7674 1 14 . 1 1 71 71 LEU C C 71 175.900 175.900 175.930 -0.030 19749 7675 1 14 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.964 -0.064 19749 7676 1 14 . 1 1 71 71 LEU CB C 71 45.700 45.700 44.558 1.142 19749 7677 1 14 . 1 1 71 71 LEU H H 71 9.330 9.330 8.675 0.655 19749 7678 1 14 . 1 1 72 72 ALA N N 72 121.500 121.500 123.195 -1.695 19749 7679 1 14 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.979 0.231 19749 7680 1 14 . 1 1 72 72 ALA C C 72 176.900 176.900 175.938 0.962 19749 7681 1 14 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.886 0.614 19749 7682 1 14 . 1 1 72 72 ALA CB C 72 23.000 23.000 21.945 1.055 19749 7683 1 14 . 1 1 72 72 ALA H H 72 8.670 8.670 8.707 -0.037 19749 7684 1 14 . 1 1 73 73 VAL N N 73 122.700 122.700 124.298 -1.598 19749 7685 1 14 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.317 0.263 19749 7686 1 14 . 1 1 73 73 VAL C C 73 175.100 175.100 175.714 -0.614 19749 7687 1 14 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.982 -0.182 19749 7688 1 14 . 1 1 73 73 VAL CB C 73 33.800 33.800 32.310 1.490 19749 7689 1 14 . 1 1 73 73 VAL H H 73 9.310 9.310 8.936 0.374 19749 7690 1 14 . 1 1 74 74 GLN N N 74 128.600 128.600 127.234 1.366 19749 7691 1 14 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.641 0.069 19749 7692 1 14 . 1 1 74 74 GLN C C 74 175.900 175.900 175.166 0.734 19749 7693 1 14 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.926 0.173 19749 7694 1 14 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.788 1.911 19749 7695 1 14 . 1 1 74 74 GLN H H 74 9.090 9.090 8.727 0.363 19749 7696 1 14 . 1 1 75 75 THR N N 75 117.700 117.700 116.241 1.459 19749 7697 1 14 . 1 1 75 75 THR HA H 75 4.490 4.490 4.689 -0.199 19749 7698 1 14 . 1 1 75 75 THR C C 75 174.700 174.700 174.027 0.673 19749 7699 1 14 . 1 1 75 75 THR CA C 75 62.200 62.200 60.977 1.223 19749 7700 1 14 . 1 1 75 75 THR CB C 75 69.800 69.800 69.366 0.434 19749 7701 1 14 . 1 1 75 75 THR H H 75 8.510 8.510 7.959 0.551 19749 7702 1 14 . 1 1 76 76 SER N N 76 115.300 115.300 118.702 -3.402 19749 7703 1 14 . 1 1 76 76 SER HA H 76 4.540 4.540 4.110 0.430 19749 7704 1 14 . 1 1 76 76 SER C C 76 174.200 174.200 174.677 -0.477 19749 7705 1 14 . 1 1 76 76 SER CA C 76 58.600 58.600 59.934 -1.334 19749 7706 1 14 . 1 1 76 76 SER CB C 76 64.200 64.200 62.967 1.233 19749 7707 1 14 . 1 1 76 76 SER H H 76 8.250 8.250 8.929 -0.679 19749 7708 1 14 . 1 1 77 77 GLN N N 77 120.500 120.500 117.677 2.823 19749 7709 1 14 . 1 1 77 77 GLN HA H 77 4.220 4.220 3.883 0.337 19749 7710 1 14 . 1 1 77 77 GLN C C 77 176.900 176.900 175.853 1.047 19749 7711 1 14 . 1 1 77 77 GLN CA C 77 57.300 57.300 58.281 -0.981 19749 7712 1 14 . 1 1 77 77 GLN CB C 77 28.900 28.900 27.161 1.739 19749 7713 1 14 . 1 1 77 77 GLN H H 77 8.510 8.510 8.253 0.257 19749 7714 1 14 . 1 1 78 78 GLY N N 78 110.300 110.300 107.217 3.083 19749 7715 1 14 . 1 1 78 78 GLY C C 78 173.800 173.800 174.734 -0.934 19749 7716 1 14 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.143 0.357 19749 7717 1 14 . 1 1 78 78 GLY H H 78 8.610 8.610 8.177 0.433 19749 7718 1 14 . 1 1 79 79 VAL N N 79 119.500 119.500 121.513 -2.013 19749 7719 1 14 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.025 0.525 19749 7720 1 14 . 1 1 79 79 VAL CA C 79 59.500 59.500 60.335 -0.835 19749 7721 1 14 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.733 0.067 19749 7722 1 14 . 1 1 79 79 VAL H H 79 7.400 7.400 7.521 -0.121 19749 7723 1 14 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.360 0.060 19749 7724 1 14 . 1 1 80 80 PRO C C 80 176.900 176.900 175.260 1.640 19749 7725 1 14 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.275 0.025 19749 7726 1 14 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.567 0.733 19749 7727 1 14 . 1 1 81 81 VAL N N 81 121.600 121.600 122.835 -1.235 19749 7728 1 14 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.226 -0.186 19749 7729 1 14 . 1 1 81 81 VAL C C 81 175.800 175.800 176.236 -0.436 19749 7730 1 14 . 1 1 81 81 VAL CA C 81 63.000 63.000 61.379 1.621 19749 7731 1 14 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.959 -0.159 19749 7732 1 14 . 1 1 81 81 VAL H H 81 8.390 8.390 8.173 0.217 19749 7733 1 14 . 1 1 82 82 ARG N N 82 125.400 125.400 125.700 -0.300 19749 7734 1 14 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.424 0.026 19749 7735 1 14 . 1 1 82 82 ARG C C 82 173.900 173.900 174.657 -0.757 19749 7736 1 14 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.201 0.799 19749 7737 1 14 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.533 0.767 19749 7738 1 14 . 1 1 82 82 ARG H H 82 8.170 8.170 8.432 -0.262 19749 7739 1 14 . 1 1 83 83 ARG N N 83 121.200 121.200 121.102 0.098 19749 7740 1 14 . 1 1 83 83 ARG HA H 83 5.330 5.330 5.143 0.187 19749 7741 1 14 . 1 1 83 83 ARG C C 83 175.600 175.600 175.840 -0.240 19749 7742 1 14 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.288 -0.788 19749 7743 1 14 . 1 1 83 83 ARG CB C 83 33.500 33.500 30.002 3.498 19749 7744 1 14 . 1 1 83 83 ARG H H 83 8.060 8.060 8.230 -0.170 19749 7745 1 14 . 1 1 84 84 PHE N N 84 118.600 118.600 123.839 -5.239 19749 7746 1 14 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.831 0.119 19749 7747 1 14 . 1 1 84 84 PHE C C 84 175.200 175.200 176.543 -1.343 19749 7748 1 14 . 1 1 84 84 PHE CA C 84 57.100 57.100 57.080 0.020 19749 7749 1 14 . 1 1 84 84 PHE CB C 84 44.500 44.500 40.991 3.509 19749 7750 1 14 . 1 1 84 84 PHE H H 84 9.320 9.320 8.444 0.876 19749 7751 1 14 . 1 1 85 85 GLN N N 85 120.800 120.800 124.257 -3.457 19749 7752 1 14 . 1 1 85 85 GLN HA H 85 4.050 4.050 3.889 0.161 19749 7753 1 14 . 1 1 85 85 GLN C C 85 176.000 176.000 175.925 0.075 19749 7754 1 14 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.986 1.415 19749 7755 1 14 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.742 0.558 19749 7756 1 14 . 1 1 85 85 GLN H H 85 9.660 9.660 9.034 0.626 19749 7757 1 14 . 1 1 86 86 THR N N 86 103.000 103.000 110.438 -7.438 19749 7758 1 14 . 1 1 86 86 THR HA H 86 4.810 4.810 4.364 0.446 19749 7759 1 14 . 1 1 86 86 THR C C 86 174.500 174.500 174.261 0.239 19749 7760 1 14 . 1 1 86 86 THR CA C 86 58.700 58.700 59.816 -1.116 19749 7761 1 14 . 1 1 86 86 THR CB C 86 73.400 73.400 70.046 3.354 19749 7762 1 14 . 1 1 86 86 THR H H 86 7.260 7.260 7.452 -0.192 19749 7763 1 14 . 1 1 87 87 LEU N N 87 122.200 122.200 122.889 -0.689 19749 7764 1 14 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.918 -0.088 19749 7765 1 14 . 1 1 87 87 LEU C C 87 178.600 178.600 178.035 0.565 19749 7766 1 14 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.060 0.040 19749 7767 1 14 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.749 0.651 19749 7768 1 14 . 1 1 87 87 LEU H H 87 9.150 9.150 8.541 0.609 19749 7769 1 14 . 1 1 88 88 GLY N N 88 105.200 105.200 105.606 -0.406 19749 7770 1 14 . 1 1 88 88 GLY C C 88 176.900 176.900 176.078 0.822 19749 7771 1 14 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.070 0.330 19749 7772 1 14 . 1 1 88 88 GLY H H 88 8.870 8.870 7.938 0.932 19749 7773 1 14 . 1 1 89 89 GLU N N 89 122.000 122.000 121.541 0.459 19749 7774 1 14 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.161 -0.231 19749 7775 1 14 . 1 1 89 89 GLU C C 89 177.600 177.600 178.903 -1.303 19749 7776 1 14 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.706 0.195 19749 7777 1 14 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.260 1.740 19749 7778 1 14 . 1 1 89 89 GLU H H 89 7.670 7.670 7.676 -0.006 19749 7779 1 14 . 1 1 90 90 LEU N N 90 122.300 122.300 120.972 1.328 19749 7780 1 14 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.824 -0.394 19749 7781 1 14 . 1 1 90 90 LEU C C 90 177.200 177.200 178.371 -1.171 19749 7782 1 14 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.385 1.315 19749 7783 1 14 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.332 0.768 19749 7784 1 14 . 1 1 90 90 LEU H H 90 6.880 6.880 7.112 -0.232 19749 7785 1 14 . 1 1 91 91 ILE N N 91 118.800 118.800 117.109 1.691 19749 7786 1 14 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.752 -0.642 19749 7787 1 14 . 1 1 91 91 ILE C C 91 177.700 177.700 178.370 -0.670 19749 7788 1 14 . 1 1 91 91 ILE CA C 91 61.400 61.400 61.938 -0.538 19749 7789 1 14 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.268 -0.868 19749 7790 1 14 . 1 1 91 91 ILE H H 91 7.880 7.880 7.564 0.316 19749 7791 1 14 . 1 1 92 92 GLY N N 92 103.900 103.900 109.084 -5.184 19749 7792 1 14 . 1 1 92 92 GLY C C 92 176.400 176.400 175.223 1.177 19749 7793 1 14 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.759 0.041 19749 7794 1 14 . 1 1 92 92 GLY H H 92 7.570 7.570 7.765 -0.195 19749 7795 1 14 . 1 1 93 93 LEU N N 93 123.200 123.200 121.700 1.500 19749 7796 1 14 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.087 -0.007 19749 7797 1 14 . 1 1 93 93 LEU C C 93 179.100 179.100 179.039 0.061 19749 7798 1 14 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.576 -0.176 19749 7799 1 14 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.686 -1.886 19749 7800 1 14 . 1 1 93 93 LEU H H 93 7.360 7.360 7.590 -0.230 19749 7801 1 14 . 1 1 94 94 TYR N N 94 114.000 114.000 116.165 -2.165 19749 7802 1 14 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.290 -0.060 19749 7803 1 14 . 1 1 94 94 TYR C C 94 175.600 175.600 176.595 -0.995 19749 7804 1 14 . 1 1 94 94 TYR CA C 94 60.200 60.200 58.461 1.739 19749 7805 1 14 . 1 1 94 94 TYR CB C 94 36.600 36.600 37.302 -0.702 19749 7806 1 14 . 1 1 94 94 TYR H H 94 7.380 7.380 7.976 -0.596 19749 7807 1 14 . 1 1 95 95 ALA N N 95 123.100 123.100 118.822 4.278 19749 7808 1 14 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.067 0.293 19749 7809 1 14 . 1 1 95 95 ALA C C 95 177.300 177.300 177.298 0.002 19749 7810 1 14 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.960 0.940 19749 7811 1 14 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.618 0.382 19749 7812 1 14 . 1 1 95 95 ALA H H 95 7.330 7.330 7.280 0.050 19749 7813 1 14 . 1 1 96 96 GLN N N 96 116.500 116.500 116.628 -0.128 19749 7814 1 14 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.618 -0.078 19749 7815 1 14 . 1 1 96 96 GLN CA C 96 53.000 53.000 53.578 -0.578 19749 7816 1 14 . 1 1 96 96 GLN CB C 96 28.600 28.600 29.022 -0.422 19749 7817 1 14 . 1 1 96 96 GLN H H 96 7.620 7.620 7.387 0.233 19749 7818 1 14 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.296 -0.056 19749 7819 1 14 . 1 1 97 97 PRO C C 97 176.800 176.800 177.128 -0.328 19749 7820 1 14 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.983 -0.183 19749 7821 1 14 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.020 0.780 19749 7822 1 14 . 1 1 98 98 ASN N N 98 114.900 114.900 115.498 -0.598 19749 7823 1 14 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.392 0.088 19749 7824 1 14 . 1 1 98 98 ASN C C 98 175.100 175.100 173.767 1.333 19749 7825 1 14 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.950 0.350 19749 7826 1 14 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.617 -0.717 19749 7827 1 14 . 1 1 98 98 ASN H H 98 8.960 8.960 8.562 0.398 19749 7828 1 14 . 1 1 99 99 GLN N N 99 115.400 115.400 117.217 -1.817 19749 7829 1 14 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.259 0.241 19749 7830 1 14 . 1 1 99 99 GLN C C 99 176.100 176.100 174.652 1.448 19749 7831 1 14 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.568 -1.268 19749 7832 1 14 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.323 0.277 19749 7833 1 14 . 1 1 99 99 GLN H H 99 8.610 8.610 8.064 0.546 19749 7834 1 14 . 1 1 100 100 GLY N N 100 107.400 107.400 108.226 -0.826 19749 7835 1 14 . 1 1 100 100 GLY C C 100 174.600 174.600 172.861 1.739 19749 7836 1 14 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.060 0.340 19749 7837 1 14 . 1 1 100 100 GLY H H 100 8.460 8.460 8.067 0.393 19749 7838 1 14 . 1 1 101 101 LEU N N 101 118.400 118.400 121.992 -3.592 19749 7839 1 14 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.382 -0.002 19749 7840 1 14 . 1 1 101 101 LEU C C 101 178.000 178.000 177.372 0.628 19749 7841 1 14 . 1 1 101 101 LEU CA C 101 52.900 52.900 53.901 -1.001 19749 7842 1 14 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.303 0.097 19749 7843 1 14 . 1 1 101 101 LEU H H 101 8.020 8.020 7.576 0.444 19749 7844 1 14 . 1 1 102 102 VAL N N 102 114.700 114.700 123.264 -8.564 19749 7845 1 14 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.595 -0.005 19749 7846 1 14 . 1 1 102 102 VAL C C 102 173.600 173.600 175.477 -1.877 19749 7847 1 14 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.310 -0.710 19749 7848 1 14 . 1 1 102 102 VAL CB C 102 31.100 31.100 31.726 -0.626 19749 7849 1 14 . 1 1 102 102 VAL H H 102 7.260 7.260 8.789 -1.529 19749 7850 1 14 . 1 1 103 103 CYS N N 103 112.400 112.400 111.278 1.122 19749 7851 1 14 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.416 -0.176 19749 7852 1 14 . 1 1 103 103 CYS C C 103 170.600 170.600 173.351 -2.751 19749 7853 1 14 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.127 -1.027 19749 7854 1 14 . 1 1 103 103 CYS CB C 103 29.600 29.600 27.974 1.626 19749 7855 1 14 . 1 1 103 103 CYS H H 103 6.920 6.920 7.713 -0.793 19749 7856 1 14 . 1 1 104 104 ALA N N 104 119.600 119.600 122.362 -2.762 19749 7857 1 14 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.919 0.291 19749 7858 1 14 . 1 1 104 104 ALA C C 104 176.300 176.300 175.798 0.502 19749 7859 1 14 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.974 -1.374 19749 7860 1 14 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.209 1.191 19749 7861 1 14 . 1 1 104 104 ALA H H 104 7.840 7.840 7.484 0.356 19749 7862 1 14 . 1 1 105 105 LEU N N 105 117.100 117.100 118.975 -1.875 19749 7863 1 14 . 1 1 105 105 LEU HA H 105 3.780 3.780 4.657 -0.877 19749 7864 1 14 . 1 1 105 105 LEU C C 105 175.400 175.400 176.039 -0.639 19749 7865 1 14 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.246 -0.646 19749 7866 1 14 . 1 1 105 105 LEU CB C 105 37.400 37.400 42.975 -5.575 19749 7867 1 14 . 1 1 105 105 LEU H H 105 7.610 7.610 8.318 -0.708 19749 7868 1 14 . 1 1 106 106 LEU N N 106 124.700 124.700 120.750 3.950 19749 7869 1 14 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.646 -0.046 19749 7870 1 14 . 1 1 106 106 LEU C C 106 177.600 177.600 175.115 2.485 19749 7871 1 14 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.072 0.228 19749 7872 1 14 . 1 1 106 106 LEU CB C 106 46.000 46.000 44.711 1.289 19749 7873 1 14 . 1 1 106 106 LEU H H 106 8.160 8.160 8.404 -0.244 19749 7874 1 14 . 1 1 107 107 LEU N N 107 121.400 121.400 123.380 -1.980 19749 7875 1 14 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.044 0.066 19749 7876 1 14 . 1 1 107 107 LEU CA C 107 51.700 51.700 51.414 0.286 19749 7877 1 14 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.465 1.135 19749 7878 1 14 . 1 1 107 107 LEU H H 107 7.930 7.930 7.900 0.030 19749 7879 1 14 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.220 -0.790 19749 7880 1 14 . 1 1 108 108 PRO C C 108 176.500 176.500 176.147 0.353 19749 7881 1 14 . 1 1 108 108 PRO CA C 108 62.400 62.400 62.173 0.227 19749 7882 1 14 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.505 1.295 19749 7883 1 15 . 1 1 10 10 HIS C C 10 175.000 175.000 173.907 1.093 19749 7884 1 15 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.318 0.582 19749 7885 1 15 . 1 1 10 10 HIS CB C 10 29.900 29.900 29.826 0.074 19749 7886 1 15 . 1 1 11 11 MET N N 11 120.400 120.400 124.209 -3.809 19749 7887 1 15 . 1 1 11 11 MET HA H 11 4.000 4.000 4.452 -0.452 19749 7888 1 15 . 1 1 11 11 MET C C 11 177.500 177.500 175.912 1.588 19749 7889 1 15 . 1 1 11 11 MET CA C 11 54.100 54.100 54.123 -0.023 19749 7890 1 15 . 1 1 11 11 MET CB C 11 31.500 31.500 34.627 -3.127 19749 7891 1 15 . 1 1 11 11 MET H H 11 7.800 7.800 8.093 -0.293 19749 7892 1 15 . 1 1 12 12 SER N N 12 118.600 118.600 118.447 0.153 19749 7893 1 15 . 1 1 12 12 SER HA H 12 3.860 3.860 4.238 -0.378 19749 7894 1 15 . 1 1 12 12 SER C C 12 173.900 173.900 174.668 -0.768 19749 7895 1 15 . 1 1 12 12 SER CA C 12 61.200 61.200 59.512 1.688 19749 7896 1 15 . 1 1 12 12 SER CB C 12 62.500 62.500 63.180 -0.680 19749 7897 1 15 . 1 1 12 12 SER H H 12 8.520 8.520 8.354 0.166 19749 7898 1 15 . 1 1 13 13 TRP N N 13 113.400 113.400 115.617 -2.217 19749 7899 1 15 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.756 0.134 19749 7900 1 15 . 1 1 13 13 TRP C C 13 176.000 176.000 174.380 1.620 19749 7901 1 15 . 1 1 13 13 TRP CA C 13 53.800 53.800 55.540 -1.740 19749 7902 1 15 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.328 0.771 19749 7903 1 15 . 1 1 13 13 TRP H H 13 6.180 6.180 6.978 -0.798 19749 7904 1 15 . 1 1 14 14 TYR N N 14 123.200 123.200 123.685 -0.485 19749 7905 1 15 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.440 0.130 19749 7906 1 15 . 1 1 14 14 TYR C C 14 174.700 174.700 174.582 0.118 19749 7907 1 15 . 1 1 14 14 TYR CA C 14 56.000 56.000 57.054 -1.054 19749 7908 1 15 . 1 1 14 14 TYR CB C 14 37.900 37.900 39.913 -2.013 19749 7909 1 15 . 1 1 14 14 TYR H H 14 7.430 7.430 7.524 -0.094 19749 7910 1 15 . 1 1 15 15 HIS N N 15 126.900 126.900 127.380 -0.480 19749 7911 1 15 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.897 -0.347 19749 7912 1 15 . 1 1 15 15 HIS C C 15 173.300 173.300 175.107 -1.807 19749 7913 1 15 . 1 1 15 15 HIS CA C 15 53.100 53.100 55.293 -2.193 19749 7914 1 15 . 1 1 15 15 HIS CB C 15 30.400 30.400 31.976 -1.576 19749 7915 1 15 . 1 1 15 15 HIS H H 15 8.680 8.680 8.405 0.275 19749 7916 1 15 . 1 1 16 16 ARG N N 16 122.500 122.500 123.137 -0.637 19749 7917 1 15 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.194 -0.244 19749 7918 1 15 . 1 1 16 16 ARG C C 16 176.100 176.100 175.891 0.209 19749 7919 1 15 . 1 1 16 16 ARG CA C 16 57.300 57.300 59.783 -2.483 19749 7920 1 15 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.975 -0.875 19749 7921 1 15 . 1 1 16 16 ARG H H 16 7.740 7.740 8.684 -0.944 19749 7922 1 15 . 1 1 17 17 ASP N N 17 119.100 119.100 116.753 2.347 19749 7923 1 15 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.665 -0.145 19749 7924 1 15 . 1 1 17 17 ASP C C 17 174.900 174.900 174.530 0.370 19749 7925 1 15 . 1 1 17 17 ASP CA C 17 54.800 54.800 52.973 1.827 19749 7926 1 15 . 1 1 17 17 ASP CB C 17 39.900 39.900 39.728 0.172 19749 7927 1 15 . 1 1 17 17 ASP H H 17 8.900 8.900 8.190 0.710 19749 7928 1 15 . 1 1 18 18 LEU N N 18 121.000 121.000 123.468 -2.468 19749 7929 1 15 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.651 -0.141 19749 7930 1 15 . 1 1 18 18 LEU C C 18 176.300 176.300 175.429 0.871 19749 7931 1 15 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.623 -0.123 19749 7932 1 15 . 1 1 18 18 LEU CB C 18 44.800 44.800 45.635 -0.835 19749 7933 1 15 . 1 1 18 18 LEU H H 18 7.280 7.280 7.821 -0.541 19749 7934 1 15 . 1 1 19 19 SER N N 19 123.400 123.400 120.990 2.410 19749 7935 1 15 . 1 1 19 19 SER HA H 19 4.440 4.440 4.586 -0.146 19749 7936 1 15 . 1 1 19 19 SER C C 19 173.900 173.900 175.513 -1.613 19749 7937 1 15 . 1 1 19 19 SER CA C 19 57.700 57.700 58.095 -0.395 19749 7938 1 15 . 1 1 19 19 SER CB C 19 65.200 65.200 64.493 0.707 19749 7939 1 15 . 1 1 19 19 SER H H 19 8.650 8.650 8.570 0.080 19749 7940 1 15 . 1 1 20 20 ARG N N 20 121.700 121.700 123.238 -1.538 19749 7941 1 15 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.958 -0.248 19749 7942 1 15 . 1 1 20 20 ARG C C 20 178.200 178.200 178.117 0.083 19749 7943 1 15 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.920 0.680 19749 7944 1 15 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.284 -0.184 19749 7945 1 15 . 1 1 20 20 ARG H H 20 8.970 8.970 8.752 0.218 19749 7946 1 15 . 1 1 21 21 ALA N N 21 119.900 119.900 121.881 -1.981 19749 7947 1 15 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.114 -0.075 19749 7948 1 15 . 1 1 21 21 ALA C C 21 180.600 180.600 179.516 1.084 19749 7949 1 15 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.860 0.340 19749 7950 1 15 . 1 1 21 21 ALA CB C 21 18.300 18.300 17.861 0.439 19749 7951 1 15 . 1 1 21 21 ALA H H 21 8.670 8.670 8.504 0.166 19749 7952 1 15 . 1 1 22 22 ALA N N 22 121.000 121.000 119.929 1.071 19749 7953 1 15 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.170 -0.040 19749 7954 1 15 . 1 1 22 22 ALA C C 22 180.900 180.900 179.715 1.185 19749 7955 1 15 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.341 0.359 19749 7956 1 15 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.245 0.755 19749 7957 1 15 . 1 1 22 22 ALA H H 22 7.890 7.890 8.452 -0.562 19749 7958 1 15 . 1 1 23 23 ALA N N 23 121.700 121.700 121.782 -0.082 19749 7959 1 15 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.091 -0.211 19749 7960 1 15 . 1 1 23 23 ALA C C 23 178.700 178.700 179.970 -1.270 19749 7961 1 15 . 1 1 23 23 ALA CA C 23 55.100 55.100 54.906 0.194 19749 7962 1 15 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.379 0.821 19749 7963 1 15 . 1 1 23 23 ALA H H 23 8.570 8.570 7.251 1.319 19749 7964 1 15 . 1 1 24 24 GLU N N 24 116.500 116.500 117.977 -1.477 19749 7965 1 15 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.988 -0.228 19749 7966 1 15 . 1 1 24 24 GLU C C 24 178.900 178.900 179.012 -0.112 19749 7967 1 15 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.117 1.383 19749 7968 1 15 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.068 -0.568 19749 7969 1 15 . 1 1 24 24 GLU H H 24 8.200 8.200 8.285 -0.085 19749 7970 1 15 . 1 1 25 25 GLU N N 25 120.000 120.000 120.358 -0.358 19749 7971 1 15 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.079 -0.019 19749 7972 1 15 . 1 1 25 25 GLU C C 25 178.400 178.400 178.900 -0.500 19749 7973 1 15 . 1 1 25 25 GLU CA C 25 59.400 59.400 59.117 0.283 19749 7974 1 15 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.772 -0.272 19749 7975 1 15 . 1 1 25 25 GLU H H 25 7.690 7.690 7.652 0.038 19749 7976 1 15 . 1 1 26 26 LEU N N 26 120.200 120.200 120.602 -0.402 19749 7977 1 15 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.042 -0.132 19749 7978 1 15 . 1 1 26 26 LEU C C 26 180.200 180.200 178.987 1.213 19749 7979 1 15 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.942 0.258 19749 7980 1 15 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.527 0.873 19749 7981 1 15 . 1 1 26 26 LEU H H 26 7.840 7.840 7.843 -0.003 19749 7982 1 15 . 1 1 27 27 LEU N N 27 117.800 117.800 117.859 -0.059 19749 7983 1 15 . 1 1 27 27 LEU HA H 27 3.980 3.980 4.072 -0.092 19749 7984 1 15 . 1 1 27 27 LEU C C 27 177.800 177.800 179.012 -1.212 19749 7985 1 15 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.222 0.378 19749 7986 1 15 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.615 0.285 19749 7987 1 15 . 1 1 27 27 LEU H H 27 7.960 7.960 7.589 0.371 19749 7988 1 15 . 1 1 28 28 ALA N N 28 120.600 120.600 121.529 -0.929 19749 7989 1 15 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.038 -0.138 19749 7990 1 15 . 1 1 28 28 ALA C C 28 180.900 180.900 179.193 1.707 19749 7991 1 15 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.918 0.282 19749 7992 1 15 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.679 -0.779 19749 7993 1 15 . 1 1 28 28 ALA H H 28 8.160 8.160 7.982 0.178 19749 7994 1 15 . 1 1 29 29 ARG N N 29 116.200 116.200 116.934 -0.734 19749 7995 1 15 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.294 -0.334 19749 7996 1 15 . 1 1 29 29 ARG C C 29 178.000 178.000 177.980 0.020 19749 7997 1 15 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.199 0.401 19749 7998 1 15 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.740 -0.440 19749 7999 1 15 . 1 1 29 29 ARG H H 29 7.760 7.760 8.204 -0.444 19749 8000 1 15 . 1 1 30 30 ALA N N 30 123.200 123.200 120.595 2.605 19749 8001 1 15 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.380 -0.180 19749 8002 1 15 . 1 1 30 30 ALA C C 30 182.000 182.000 178.737 3.263 19749 8003 1 15 . 1 1 30 30 ALA CA C 30 54.900 54.900 52.824 2.076 19749 8004 1 15 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.434 -0.734 19749 8005 1 15 . 1 1 30 30 ALA H H 30 7.580 7.580 7.604 -0.024 19749 8006 1 15 . 1 1 31 31 GLY N N 31 102.400 102.400 107.336 -4.936 19749 8007 1 15 . 1 1 31 31 GLY C C 31 174.800 174.800 174.928 -0.128 19749 8008 1 15 . 1 1 31 31 GLY CA C 31 48.100 48.100 45.067 3.033 19749 8009 1 15 . 1 1 31 31 GLY H H 31 7.690 7.690 7.629 0.061 19749 8010 1 15 . 1 1 32 32 ARG N N 32 121.100 121.100 126.009 -4.909 19749 8011 1 15 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.182 0.278 19749 8012 1 15 . 1 1 32 32 ARG C C 32 176.500 176.500 176.555 -0.055 19749 8013 1 15 . 1 1 32 32 ARG CA C 32 55.400 55.400 58.498 -3.098 19749 8014 1 15 . 1 1 32 32 ARG CB C 32 32.600 32.600 31.436 1.164 19749 8015 1 15 . 1 1 32 32 ARG H H 32 7.040 7.040 8.315 -1.275 19749 8016 1 15 . 1 1 33 33 ASP N N 33 126.100 126.100 115.234 10.866 19749 8017 1 15 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.702 0.068 19749 8018 1 15 . 1 1 33 33 ASP C C 33 176.800 176.800 175.756 1.044 19749 8019 1 15 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.865 1.135 19749 8020 1 15 . 1 1 33 33 ASP CB C 33 41.000 41.000 43.561 -2.561 19749 8021 1 15 . 1 1 33 33 ASP H H 33 9.110 9.110 7.702 1.408 19749 8022 1 15 . 1 1 34 34 GLY N N 34 109.400 109.400 110.823 -1.423 19749 8023 1 15 . 1 1 34 34 GLY C C 34 175.800 175.800 174.348 1.452 19749 8024 1 15 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.680 0.320 19749 8025 1 15 . 1 1 34 34 GLY H H 34 9.440 9.440 8.592 0.848 19749 8026 1 15 . 1 1 35 35 SER N N 35 120.400 120.400 115.998 4.402 19749 8027 1 15 . 1 1 35 35 SER HA H 35 5.990 5.990 5.713 0.277 19749 8028 1 15 . 1 1 35 35 SER C C 35 173.400 173.400 173.970 -0.570 19749 8029 1 15 . 1 1 35 35 SER CA C 35 59.800 59.800 58.977 0.823 19749 8030 1 15 . 1 1 35 35 SER CB C 35 63.700 63.700 64.610 -0.910 19749 8031 1 15 . 1 1 35 35 SER H H 35 8.050 8.050 7.490 0.560 19749 8032 1 15 . 1 1 36 36 PHE N N 36 122.000 122.000 118.528 3.472 19749 8033 1 15 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.796 0.244 19749 8034 1 15 . 1 1 36 36 PHE C C 36 170.900 170.900 173.090 -2.190 19749 8035 1 15 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.635 0.665 19749 8036 1 15 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.459 1.941 19749 8037 1 15 . 1 1 36 36 PHE H H 36 8.730 8.730 8.104 0.626 19749 8038 1 15 . 1 1 37 37 LEU N N 37 112.500 112.500 116.474 -3.974 19749 8039 1 15 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.365 -0.315 19749 8040 1 15 . 1 1 37 37 LEU C C 37 175.100 175.100 175.191 -0.091 19749 8041 1 15 . 1 1 37 37 LEU CA C 37 54.500 54.500 53.667 0.833 19749 8042 1 15 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.740 -0.540 19749 8043 1 15 . 1 1 37 37 LEU H H 37 9.000 9.000 8.928 0.072 19749 8044 1 15 . 1 1 38 38 VAL N N 38 120.200 120.200 120.674 -0.474 19749 8045 1 15 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.299 0.181 19749 8046 1 15 . 1 1 38 38 VAL C C 38 173.600 173.600 175.235 -1.635 19749 8047 1 15 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.998 0.202 19749 8048 1 15 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.248 0.952 19749 8049 1 15 . 1 1 38 38 VAL H H 38 9.830 9.830 8.927 0.903 19749 8050 1 15 . 1 1 39 39 ARG N N 39 124.000 124.000 122.764 1.236 19749 8051 1 15 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.206 0.314 19749 8052 1 15 . 1 1 39 39 ARG C C 39 174.700 174.700 174.746 -0.046 19749 8053 1 15 . 1 1 39 39 ARG CA C 39 52.800 52.800 52.835 -0.035 19749 8054 1 15 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.728 0.472 19749 8055 1 15 . 1 1 39 39 ARG H H 39 9.240 9.240 9.240 0.000 19749 8056 1 15 . 1 1 40 40 ASP N N 40 122.800 122.800 121.201 1.599 19749 8057 1 15 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.063 -0.113 19749 8058 1 15 . 1 1 40 40 ASP C C 40 176.500 176.500 176.029 0.471 19749 8059 1 15 . 1 1 40 40 ASP CA C 40 55.900 55.900 55.209 0.691 19749 8060 1 15 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.742 -0.842 19749 8061 1 15 . 1 1 40 40 ASP H H 40 9.060 9.060 8.006 1.054 19749 8062 1 15 . 1 1 41 41 SER N N 41 113.600 113.600 118.425 -4.825 19749 8063 1 15 . 1 1 41 41 SER HA H 41 4.200 4.200 4.554 -0.354 19749 8064 1 15 . 1 1 41 41 SER C C 41 175.700 175.700 174.071 1.629 19749 8065 1 15 . 1 1 41 41 SER CA C 41 58.400 58.400 57.912 0.488 19749 8066 1 15 . 1 1 41 41 SER CB C 41 63.900 63.900 64.374 -0.474 19749 8067 1 15 . 1 1 41 41 SER H H 41 7.870 7.870 8.200 -0.330 19749 8068 1 15 . 1 1 42 42 GLU N N 42 127.200 127.200 122.172 5.028 19749 8069 1 15 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.554 -0.164 19749 8070 1 15 . 1 1 42 42 GLU C C 42 176.500 176.500 175.481 1.019 19749 8071 1 15 . 1 1 42 42 GLU CA C 42 57.700 57.700 55.963 1.737 19749 8072 1 15 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.921 -0.421 19749 8073 1 15 . 1 1 42 42 GLU H H 42 9.600 9.600 8.638 0.962 19749 8074 1 15 . 1 1 43 43 SER N N 43 113.400 113.400 118.591 -5.191 19749 8075 1 15 . 1 1 43 43 SER HA H 43 4.590 4.590 4.515 0.075 19749 8076 1 15 . 1 1 43 43 SER C C 43 174.000 174.000 173.879 0.121 19749 8077 1 15 . 1 1 43 43 SER CA C 43 59.400 59.400 58.999 0.401 19749 8078 1 15 . 1 1 43 43 SER CB C 43 65.100 65.100 64.069 1.031 19749 8079 1 15 . 1 1 43 43 SER H H 43 8.110 8.110 8.417 -0.307 19749 8080 1 15 . 1 1 44 44 VAL N N 44 123.200 123.200 124.797 -1.597 19749 8081 1 15 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.037 0.103 19749 8082 1 15 . 1 1 44 44 VAL C C 44 174.800 174.800 175.553 -0.753 19749 8083 1 15 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.937 -0.237 19749 8084 1 15 . 1 1 44 44 VAL CB C 44 33.700 33.700 30.332 3.368 19749 8085 1 15 . 1 1 44 44 VAL H H 44 7.620 7.620 8.162 -0.542 19749 8086 1 15 . 1 1 45 45 ALA N N 45 130.900 130.900 129.795 1.105 19749 8087 1 15 . 1 1 45 45 ALA HA H 45 4.150 4.150 3.991 0.159 19749 8088 1 15 . 1 1 45 45 ALA C C 45 178.700 178.700 176.557 2.143 19749 8089 1 15 . 1 1 45 45 ALA CA C 45 53.700 53.700 53.654 0.046 19749 8090 1 15 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.249 -0.149 19749 8091 1 15 . 1 1 45 45 ALA H H 45 8.480 8.480 7.606 0.874 19749 8092 1 15 . 1 1 46 46 GLY N N 46 111.400 111.400 108.271 3.129 19749 8093 1 15 . 1 1 46 46 GLY C C 46 171.700 171.700 173.124 -1.424 19749 8094 1 15 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.079 1.321 19749 8095 1 15 . 1 1 46 46 GLY H H 46 8.600 8.600 8.490 0.110 19749 8096 1 15 . 1 1 47 47 ALA N N 47 117.600 117.600 126.118 -8.518 19749 8097 1 15 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.321 0.559 19749 8098 1 15 . 1 1 47 47 ALA C C 47 177.200 177.200 175.494 1.706 19749 8099 1 15 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.747 -0.947 19749 8100 1 15 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.121 0.579 19749 8101 1 15 . 1 1 47 47 ALA H H 47 7.340 7.340 7.850 -0.510 19749 8102 1 15 . 1 1 48 48 PHE N N 48 117.100 117.100 117.010 0.090 19749 8103 1 15 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.456 -0.086 19749 8104 1 15 . 1 1 48 48 PHE C C 48 174.100 174.100 174.320 -0.220 19749 8105 1 15 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.609 -0.109 19749 8106 1 15 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.299 0.601 19749 8107 1 15 . 1 1 48 48 PHE H H 48 9.160 9.160 8.360 0.800 19749 8108 1 15 . 1 1 49 49 ALA N N 49 125.600 125.600 121.145 4.455 19749 8109 1 15 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.287 -0.097 19749 8110 1 15 . 1 1 49 49 ALA C C 49 174.900 174.900 175.017 -0.117 19749 8111 1 15 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.203 0.997 19749 8112 1 15 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.891 -2.491 19749 8113 1 15 . 1 1 49 49 ALA H H 49 9.630 9.630 9.129 0.501 19749 8114 1 15 . 1 1 50 50 LEU N N 50 127.100 127.100 122.994 4.106 19749 8115 1 15 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.470 -0.400 19749 8116 1 15 . 1 1 50 50 LEU C C 50 174.500 174.500 175.551 -1.051 19749 8117 1 15 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.616 0.384 19749 8118 1 15 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.110 -1.210 19749 8119 1 15 . 1 1 50 50 LEU H H 50 9.350 9.350 8.415 0.935 19749 8120 1 15 . 1 1 51 51 CYS N N 51 127.300 127.300 127.919 -0.619 19749 8121 1 15 . 1 1 51 51 CYS HA H 51 5.410 5.410 4.832 0.578 19749 8122 1 15 . 1 1 51 51 CYS C C 51 173.000 173.000 173.370 -0.370 19749 8123 1 15 . 1 1 51 51 CYS CA C 51 57.200 57.200 58.936 -1.736 19749 8124 1 15 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.193 2.207 19749 8125 1 15 . 1 1 51 51 CYS H H 51 9.300 9.300 9.211 0.089 19749 8126 1 15 . 1 1 52 52 VAL N N 52 123.100 123.100 125.848 -2.748 19749 8127 1 15 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.022 0.138 19749 8128 1 15 . 1 1 52 52 VAL C C 52 173.800 173.800 174.607 -0.807 19749 8129 1 15 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.449 -1.549 19749 8130 1 15 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.509 1.791 19749 8131 1 15 . 1 1 52 52 VAL H H 52 9.460 9.460 9.015 0.445 19749 8132 1 15 . 1 1 53 53 LEU N N 53 130.700 130.700 129.493 1.207 19749 8133 1 15 . 1 1 53 53 LEU HA H 53 4.980 4.980 4.934 0.046 19749 8134 1 15 . 1 1 53 53 LEU C C 53 175.200 175.200 174.464 0.736 19749 8135 1 15 . 1 1 53 53 LEU CA C 53 54.000 54.000 54.101 -0.101 19749 8136 1 15 . 1 1 53 53 LEU CB C 53 45.300 45.300 43.867 1.433 19749 8137 1 15 . 1 1 53 53 LEU H H 53 9.320 9.320 8.766 0.554 19749 8138 1 15 . 1 1 54 54 TYR N N 54 125.700 125.700 124.926 0.774 19749 8139 1 15 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.699 0.211 19749 8140 1 15 . 1 1 54 54 TYR C C 54 175.400 175.400 174.448 0.952 19749 8141 1 15 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.606 1.093 19749 8142 1 15 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.881 0.819 19749 8143 1 15 . 1 1 54 54 TYR H H 54 9.260 9.260 8.729 0.531 19749 8144 1 15 . 1 1 55 55 GLN N N 55 129.900 129.900 127.825 2.075 19749 8145 1 15 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.852 -0.152 19749 8146 1 15 . 1 1 55 55 GLN C C 55 175.900 175.900 175.144 0.756 19749 8147 1 15 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.600 0.100 19749 8148 1 15 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.573 -0.973 19749 8149 1 15 . 1 1 55 55 GLN H H 55 9.750 9.750 9.107 0.643 19749 8150 1 15 . 1 1 56 56 LYS N N 56 107.600 107.600 113.718 -6.118 19749 8151 1 15 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.895 -0.455 19749 8152 1 15 . 1 1 56 56 LYS C C 56 174.800 174.800 175.211 -0.411 19749 8153 1 15 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.354 1.046 19749 8154 1 15 . 1 1 56 56 LYS CB C 56 29.800 29.800 30.404 -0.604 19749 8155 1 15 . 1 1 56 56 LYS H H 56 8.920 8.920 8.663 0.257 19749 8156 1 15 . 1 1 57 57 HIS N N 57 118.200 118.200 117.208 0.992 19749 8157 1 15 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.799 0.101 19749 8158 1 15 . 1 1 57 57 HIS C C 57 173.400 173.400 173.235 0.165 19749 8159 1 15 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.687 -0.387 19749 8160 1 15 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.692 0.208 19749 8161 1 15 . 1 1 57 57 HIS H H 57 7.980 7.980 7.497 0.483 19749 8162 1 15 . 1 1 58 58 VAL N N 58 124.500 124.500 129.112 -4.612 19749 8163 1 15 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.613 -0.273 19749 8164 1 15 . 1 1 58 58 VAL C C 58 175.700 175.700 175.223 0.477 19749 8165 1 15 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.743 1.357 19749 8166 1 15 . 1 1 58 58 VAL CB C 58 32.000 32.000 31.786 0.214 19749 8167 1 15 . 1 1 58 58 VAL H H 58 8.800 8.800 8.587 0.213 19749 8168 1 15 . 1 1 59 59 HIS N N 59 132.200 132.200 128.042 4.158 19749 8169 1 15 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.780 -0.260 19749 8170 1 15 . 1 1 59 59 HIS C C 59 174.100 174.100 173.848 0.252 19749 8171 1 15 . 1 1 59 59 HIS CA C 59 55.700 55.700 53.853 1.847 19749 8172 1 15 . 1 1 59 59 HIS CB C 59 32.200 32.200 32.934 -0.734 19749 8173 1 15 . 1 1 59 59 HIS H H 59 9.830 9.830 8.842 0.988 19749 8174 1 15 . 1 1 60 60 THR N N 60 119.300 119.300 117.491 1.809 19749 8175 1 15 . 1 1 60 60 THR HA H 60 5.280 5.280 5.070 0.210 19749 8176 1 15 . 1 1 60 60 THR C C 60 173.700 173.700 173.262 0.438 19749 8177 1 15 . 1 1 60 60 THR CA C 60 62.100 62.100 60.034 2.066 19749 8178 1 15 . 1 1 60 60 THR CB C 60 70.300 70.300 69.890 0.410 19749 8179 1 15 . 1 1 60 60 THR H H 60 8.420 8.420 8.224 0.196 19749 8180 1 15 . 1 1 61 61 TYR N N 61 127.000 127.000 124.699 2.301 19749 8181 1 15 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.628 0.172 19749 8182 1 15 . 1 1 61 61 TYR C C 61 175.000 175.000 175.782 -0.782 19749 8183 1 15 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.648 -0.148 19749 8184 1 15 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.505 1.395 19749 8185 1 15 . 1 1 61 61 TYR H H 61 9.810 9.810 8.726 1.084 19749 8186 1 15 . 1 1 62 62 ARG N N 62 124.200 124.200 122.953 1.247 19749 8187 1 15 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.799 -0.089 19749 8188 1 15 . 1 1 62 62 ARG C C 62 175.000 175.000 175.426 -0.426 19749 8189 1 15 . 1 1 62 62 ARG CA C 62 56.900 56.900 56.310 0.590 19749 8190 1 15 . 1 1 62 62 ARG CB C 62 31.500 31.500 31.608 -0.108 19749 8191 1 15 . 1 1 62 62 ARG H H 62 9.240 9.240 8.780 0.460 19749 8192 1 15 . 1 1 63 63 ILE N N 63 124.100 124.100 121.721 2.379 19749 8193 1 15 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.854 -0.094 19749 8194 1 15 . 1 1 63 63 ILE C C 63 174.900 174.900 174.240 0.660 19749 8195 1 15 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.568 -0.068 19749 8196 1 15 . 1 1 63 63 ILE CB C 63 39.600 39.600 41.132 -1.532 19749 8197 1 15 . 1 1 63 63 ILE H H 63 8.810 8.810 8.124 0.686 19749 8198 1 15 . 1 1 64 64 LEU N N 64 126.200 126.200 127.889 -1.689 19749 8199 1 15 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.982 0.218 19749 8200 1 15 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.911 -0.311 19749 8201 1 15 . 1 1 64 64 LEU CB C 64 44.200 44.200 42.824 1.376 19749 8202 1 15 . 1 1 64 64 LEU H H 64 8.660 8.660 8.765 -0.105 19749 8203 1 15 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.614 0.616 19749 8204 1 15 . 1 1 65 65 PRO C C 65 177.000 177.000 176.372 0.628 19749 8205 1 15 . 1 1 65 65 PRO CA C 65 62.500 62.500 62.727 -0.228 19749 8206 1 15 . 1 1 65 65 PRO CB C 65 32.300 32.300 30.413 1.887 19749 8207 1 15 . 1 1 66 66 ASP N N 66 124.500 124.500 123.741 0.759 19749 8208 1 15 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.452 0.448 19749 8209 1 15 . 1 1 66 66 ASP C C 66 177.200 177.200 175.851 1.349 19749 8210 1 15 . 1 1 66 66 ASP CA C 66 52.600 52.600 53.579 -0.979 19749 8211 1 15 . 1 1 66 66 ASP CB C 66 43.000 43.000 43.413 -0.413 19749 8212 1 15 . 1 1 66 66 ASP H H 66 8.650 8.650 8.190 0.460 19749 8213 1 15 . 1 1 67 67 GLY N N 67 108.300 108.300 110.407 -2.107 19749 8214 1 15 . 1 1 67 67 GLY C C 67 174.700 174.700 174.384 0.316 19749 8215 1 15 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.829 0.071 19749 8216 1 15 . 1 1 67 67 GLY H H 67 8.420 8.420 8.513 -0.093 19749 8217 1 15 . 1 1 68 68 GLU N N 68 120.300 120.300 120.961 -0.661 19749 8218 1 15 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.452 -0.112 19749 8219 1 15 . 1 1 68 68 GLU C C 68 176.100 176.100 174.917 1.183 19749 8220 1 15 . 1 1 68 68 GLU CA C 68 56.800 56.800 55.665 1.135 19749 8221 1 15 . 1 1 68 68 GLU CB C 68 30.300 30.300 31.623 -1.323 19749 8222 1 15 . 1 1 68 68 GLU H H 68 8.580 8.580 7.441 1.139 19749 8223 1 15 . 1 1 69 69 ASP N N 69 115.000 115.000 119.082 -4.082 19749 8224 1 15 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.206 0.314 19749 8225 1 15 . 1 1 69 69 ASP C C 69 175.500 175.500 174.512 0.988 19749 8226 1 15 . 1 1 69 69 ASP CA C 69 55.900 55.900 55.026 0.874 19749 8227 1 15 . 1 1 69 69 ASP CB C 69 40.600 40.600 39.757 0.843 19749 8228 1 15 . 1 1 69 69 ASP H H 69 8.360 8.360 8.021 0.339 19749 8229 1 15 . 1 1 70 70 PHE N N 70 117.200 117.200 113.435 3.765 19749 8230 1 15 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.172 -0.182 19749 8231 1 15 . 1 1 70 70 PHE C C 70 175.700 175.700 173.733 1.967 19749 8232 1 15 . 1 1 70 70 PHE CA C 70 57.600 57.600 54.934 2.666 19749 8233 1 15 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.038 0.662 19749 8234 1 15 . 1 1 70 70 PHE H H 70 8.120 8.120 7.078 1.042 19749 8235 1 15 . 1 1 71 71 LEU N N 71 120.900 120.900 118.369 2.531 19749 8236 1 15 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.310 -0.360 19749 8237 1 15 . 1 1 71 71 LEU C C 71 175.900 175.900 176.441 -0.541 19749 8238 1 15 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.428 0.472 19749 8239 1 15 . 1 1 71 71 LEU CB C 71 45.700 45.700 41.750 3.950 19749 8240 1 15 . 1 1 71 71 LEU H H 71 9.330 9.330 8.547 0.783 19749 8241 1 15 . 1 1 72 72 ALA N N 72 121.500 121.500 127.695 -6.195 19749 8242 1 15 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.772 0.438 19749 8243 1 15 . 1 1 72 72 ALA C C 72 176.900 176.900 176.575 0.325 19749 8244 1 15 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.736 0.764 19749 8245 1 15 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.828 2.172 19749 8246 1 15 . 1 1 72 72 ALA H H 72 8.670 8.670 8.671 -0.001 19749 8247 1 15 . 1 1 73 73 VAL N N 73 122.700 122.700 125.019 -2.319 19749 8248 1 15 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.422 0.158 19749 8249 1 15 . 1 1 73 73 VAL C C 73 175.100 175.100 175.802 -0.702 19749 8250 1 15 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.925 -0.125 19749 8251 1 15 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.467 0.333 19749 8252 1 15 . 1 1 73 73 VAL H H 73 9.310 9.310 8.412 0.898 19749 8253 1 15 . 1 1 74 74 GLN N N 74 128.600 128.600 127.918 0.682 19749 8254 1 15 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.621 0.089 19749 8255 1 15 . 1 1 74 74 GLN C C 74 175.900 175.900 176.678 -0.778 19749 8256 1 15 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.931 0.169 19749 8257 1 15 . 1 1 74 74 GLN CB C 74 29.700 29.700 28.597 1.103 19749 8258 1 15 . 1 1 74 74 GLN H H 74 9.090 9.090 8.886 0.204 19749 8259 1 15 . 1 1 75 75 THR N N 75 117.700 117.700 119.891 -2.191 19749 8260 1 15 . 1 1 75 75 THR HA H 75 4.490 4.490 4.250 0.240 19749 8261 1 15 . 1 1 75 75 THR C C 75 174.700 174.700 174.878 -0.178 19749 8262 1 15 . 1 1 75 75 THR CA C 75 62.200 62.200 63.718 -1.518 19749 8263 1 15 . 1 1 75 75 THR CB C 75 69.800 69.800 69.257 0.543 19749 8264 1 15 . 1 1 75 75 THR H H 75 8.510 8.510 8.349 0.161 19749 8265 1 15 . 1 1 76 76 SER N N 76 115.300 115.300 114.458 0.842 19749 8266 1 15 . 1 1 76 76 SER HA H 76 4.540 4.540 4.179 0.361 19749 8267 1 15 . 1 1 76 76 SER C C 76 174.200 174.200 173.724 0.476 19749 8268 1 15 . 1 1 76 76 SER CA C 76 58.600 58.600 59.050 -0.450 19749 8269 1 15 . 1 1 76 76 SER CB C 76 64.200 64.200 63.380 0.820 19749 8270 1 15 . 1 1 76 76 SER H H 76 8.250 8.250 8.178 0.072 19749 8271 1 15 . 1 1 77 77 GLN N N 77 120.500 120.500 117.547 2.953 19749 8272 1 15 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.051 0.169 19749 8273 1 15 . 1 1 77 77 GLN C C 77 176.900 176.900 176.722 0.178 19749 8274 1 15 . 1 1 77 77 GLN CA C 77 57.300 57.300 56.954 0.346 19749 8275 1 15 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.083 0.817 19749 8276 1 15 . 1 1 77 77 GLN H H 77 8.510 8.510 8.557 -0.047 19749 8277 1 15 . 1 1 78 78 GLY N N 78 110.300 110.300 107.932 2.368 19749 8278 1 15 . 1 1 78 78 GLY C C 78 173.800 173.800 174.537 -0.737 19749 8279 1 15 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.962 -0.462 19749 8280 1 15 . 1 1 78 78 GLY H H 78 8.610 8.610 8.573 0.037 19749 8281 1 15 . 1 1 79 79 VAL N N 79 119.500 119.500 123.180 -3.680 19749 8282 1 15 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.103 0.447 19749 8283 1 15 . 1 1 79 79 VAL CA C 79 59.500 59.500 60.236 -0.737 19749 8284 1 15 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.210 0.590 19749 8285 1 15 . 1 1 79 79 VAL H H 79 7.400 7.400 7.598 -0.198 19749 8286 1 15 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.370 0.050 19749 8287 1 15 . 1 1 80 80 PRO C C 80 176.900 176.900 176.311 0.589 19749 8288 1 15 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.396 0.904 19749 8289 1 15 . 1 1 80 80 PRO CB C 80 32.300 32.300 32.341 -0.041 19749 8290 1 15 . 1 1 81 81 VAL N N 81 121.600 121.600 123.152 -1.552 19749 8291 1 15 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.005 0.035 19749 8292 1 15 . 1 1 81 81 VAL C C 81 175.800 175.800 176.085 -0.285 19749 8293 1 15 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.947 0.054 19749 8294 1 15 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.055 0.745 19749 8295 1 15 . 1 1 81 81 VAL H H 81 8.390 8.390 8.386 0.004 19749 8296 1 15 . 1 1 82 82 ARG N N 82 125.400 125.400 128.947 -3.547 19749 8297 1 15 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.543 -0.093 19749 8298 1 15 . 1 1 82 82 ARG C C 82 173.900 173.900 174.399 -0.499 19749 8299 1 15 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.538 0.462 19749 8300 1 15 . 1 1 82 82 ARG CB C 82 32.300 32.300 32.447 -0.147 19749 8301 1 15 . 1 1 82 82 ARG H H 82 8.170 8.170 8.215 -0.045 19749 8302 1 15 . 1 1 83 83 ARG N N 83 121.200 121.200 124.323 -3.123 19749 8303 1 15 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.652 0.678 19749 8304 1 15 . 1 1 83 83 ARG C C 83 175.600 175.600 174.642 0.958 19749 8305 1 15 . 1 1 83 83 ARG CA C 83 54.500 54.500 54.860 -0.360 19749 8306 1 15 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.490 2.010 19749 8307 1 15 . 1 1 83 83 ARG H H 83 8.060 8.060 8.217 -0.157 19749 8308 1 15 . 1 1 84 84 PHE N N 84 118.600 118.600 118.038 0.562 19749 8309 1 15 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.813 0.137 19749 8310 1 15 . 1 1 84 84 PHE C C 84 175.200 175.200 176.367 -1.167 19749 8311 1 15 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.964 0.136 19749 8312 1 15 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.786 1.714 19749 8313 1 15 . 1 1 84 84 PHE H H 84 9.320 9.320 8.375 0.945 19749 8314 1 15 . 1 1 85 85 GLN N N 85 120.800 120.800 121.131 -0.331 19749 8315 1 15 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.197 -0.147 19749 8316 1 15 . 1 1 85 85 GLN C C 85 176.000 176.000 176.177 -0.177 19749 8317 1 15 . 1 1 85 85 GLN CA C 85 58.400 58.400 58.764 -0.364 19749 8318 1 15 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.253 1.047 19749 8319 1 15 . 1 1 85 85 GLN H H 85 9.660 9.660 8.921 0.739 19749 8320 1 15 . 1 1 86 86 THR N N 86 103.000 103.000 109.942 -6.942 19749 8321 1 15 . 1 1 86 86 THR HA H 86 4.810 4.810 4.519 0.291 19749 8322 1 15 . 1 1 86 86 THR C C 86 174.500 174.500 174.746 -0.246 19749 8323 1 15 . 1 1 86 86 THR CA C 86 58.700 58.700 59.902 -1.202 19749 8324 1 15 . 1 1 86 86 THR CB C 86 73.400 73.400 70.399 3.001 19749 8325 1 15 . 1 1 86 86 THR H H 86 7.260 7.260 7.595 -0.335 19749 8326 1 15 . 1 1 87 87 LEU N N 87 122.200 122.200 122.908 -0.708 19749 8327 1 15 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.884 -0.054 19749 8328 1 15 . 1 1 87 87 LEU C C 87 178.600 178.600 177.955 0.645 19749 8329 1 15 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.201 -0.101 19749 8330 1 15 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.821 0.579 19749 8331 1 15 . 1 1 87 87 LEU H H 87 9.150 9.150 8.568 0.582 19749 8332 1 15 . 1 1 88 88 GLY N N 88 105.200 105.200 105.786 -0.586 19749 8333 1 15 . 1 1 88 88 GLY C C 88 176.900 176.900 176.173 0.727 19749 8334 1 15 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.182 0.218 19749 8335 1 15 . 1 1 88 88 GLY H H 88 8.870 8.870 8.009 0.861 19749 8336 1 15 . 1 1 89 89 GLU N N 89 122.000 122.000 121.472 0.528 19749 8337 1 15 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.036 -0.106 19749 8338 1 15 . 1 1 89 89 GLU C C 89 177.600 177.600 178.542 -0.942 19749 8339 1 15 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.680 0.220 19749 8340 1 15 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.156 1.844 19749 8341 1 15 . 1 1 89 89 GLU H H 89 7.670 7.670 7.475 0.195 19749 8342 1 15 . 1 1 90 90 LEU N N 90 122.300 122.300 120.124 2.176 19749 8343 1 15 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.243 0.187 19749 8344 1 15 . 1 1 90 90 LEU C C 90 177.200 177.200 178.438 -1.238 19749 8345 1 15 . 1 1 90 90 LEU CA C 90 58.700 58.700 56.879 1.821 19749 8346 1 15 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.541 0.559 19749 8347 1 15 . 1 1 90 90 LEU H H 90 6.880 6.880 6.954 -0.074 19749 8348 1 15 . 1 1 91 91 ILE N N 91 118.800 118.800 117.490 1.310 19749 8349 1 15 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.724 -0.614 19749 8350 1 15 . 1 1 91 91 ILE C C 91 177.700 177.700 178.243 -0.543 19749 8351 1 15 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.543 -1.143 19749 8352 1 15 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.786 -1.387 19749 8353 1 15 . 1 1 91 91 ILE H H 91 7.880 7.880 7.780 0.100 19749 8354 1 15 . 1 1 92 92 GLY N N 92 103.900 103.900 108.155 -4.255 19749 8355 1 15 . 1 1 92 92 GLY C C 92 176.400 176.400 175.610 0.790 19749 8356 1 15 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.827 -0.027 19749 8357 1 15 . 1 1 92 92 GLY H H 92 7.570 7.570 7.562 0.008 19749 8358 1 15 . 1 1 93 93 LEU N N 93 123.200 123.200 121.896 1.304 19749 8359 1 15 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.263 -0.183 19749 8360 1 15 . 1 1 93 93 LEU C C 93 179.100 179.100 178.130 0.970 19749 8361 1 15 . 1 1 93 93 LEU CA C 93 57.400 57.400 56.816 0.584 19749 8362 1 15 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.583 -1.783 19749 8363 1 15 . 1 1 93 93 LEU H H 93 7.360 7.360 7.379 -0.019 19749 8364 1 15 . 1 1 94 94 TYR N N 94 114.000 114.000 117.330 -3.330 19749 8365 1 15 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.674 -0.444 19749 8366 1 15 . 1 1 94 94 TYR C C 94 175.600 175.600 177.279 -1.679 19749 8367 1 15 . 1 1 94 94 TYR CA C 94 60.200 60.200 55.810 4.390 19749 8368 1 15 . 1 1 94 94 TYR CB C 94 36.600 36.600 35.919 0.681 19749 8369 1 15 . 1 1 94 94 TYR H H 94 7.380 7.380 7.703 -0.323 19749 8370 1 15 . 1 1 95 95 ALA N N 95 123.100 123.100 120.964 2.136 19749 8371 1 15 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.264 0.096 19749 8372 1 15 . 1 1 95 95 ALA C C 95 177.300 177.300 176.769 0.531 19749 8373 1 15 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.968 0.932 19749 8374 1 15 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.665 0.335 19749 8375 1 15 . 1 1 95 95 ALA H H 95 7.330 7.330 7.624 -0.294 19749 8376 1 15 . 1 1 96 96 GLN N N 96 116.500 116.500 116.699 -0.199 19749 8377 1 15 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.841 -0.301 19749 8378 1 15 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.136 0.864 19749 8379 1 15 . 1 1 96 96 GLN CB C 96 28.600 28.600 29.447 -0.847 19749 8380 1 15 . 1 1 96 96 GLN H H 96 7.620 7.620 7.503 0.117 19749 8381 1 15 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.403 -0.163 19749 8382 1 15 . 1 1 97 97 PRO C C 97 176.800 176.800 176.964 -0.164 19749 8383 1 15 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.002 0.798 19749 8384 1 15 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.360 0.440 19749 8385 1 15 . 1 1 98 98 ASN N N 98 114.900 114.900 116.460 -1.560 19749 8386 1 15 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.404 0.076 19749 8387 1 15 . 1 1 98 98 ASN C C 98 175.100 175.100 174.253 0.847 19749 8388 1 15 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.183 0.117 19749 8389 1 15 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.358 -0.458 19749 8390 1 15 . 1 1 98 98 ASN H H 98 8.960 8.960 8.715 0.245 19749 8391 1 15 . 1 1 99 99 GLN N N 99 115.400 115.400 119.076 -3.676 19749 8392 1 15 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.342 0.158 19749 8393 1 15 . 1 1 99 99 GLN C C 99 176.100 176.100 175.108 0.992 19749 8394 1 15 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.395 -1.095 19749 8395 1 15 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.045 0.555 19749 8396 1 15 . 1 1 99 99 GLN H H 99 8.610 8.610 8.450 0.160 19749 8397 1 15 . 1 1 100 100 GLY N N 100 107.400 107.400 107.013 0.387 19749 8398 1 15 . 1 1 100 100 GLY C C 100 174.600 174.600 174.106 0.494 19749 8399 1 15 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.121 0.279 19749 8400 1 15 . 1 1 100 100 GLY H H 100 8.460 8.460 7.997 0.463 19749 8401 1 15 . 1 1 101 101 LEU N N 101 118.400 118.400 120.379 -1.979 19749 8402 1 15 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.256 0.123 19749 8403 1 15 . 1 1 101 101 LEU C C 101 178.000 178.000 178.227 -0.227 19749 8404 1 15 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.796 -1.896 19749 8405 1 15 . 1 1 101 101 LEU CB C 101 42.400 42.400 40.655 1.745 19749 8406 1 15 . 1 1 101 101 LEU H H 101 8.020 8.020 7.413 0.607 19749 8407 1 15 . 1 1 102 102 VAL N N 102 114.700 114.700 125.879 -11.179 19749 8408 1 15 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.945 -0.355 19749 8409 1 15 . 1 1 102 102 VAL C C 102 173.600 173.600 175.339 -1.739 19749 8410 1 15 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.804 -1.204 19749 8411 1 15 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.538 -1.438 19749 8412 1 15 . 1 1 102 102 VAL H H 102 7.260 7.260 9.107 -1.847 19749 8413 1 15 . 1 1 103 103 CYS N N 103 112.400 112.400 113.952 -1.552 19749 8414 1 15 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.310 -0.070 19749 8415 1 15 . 1 1 103 103 CYS C C 103 170.600 170.600 173.156 -2.556 19749 8416 1 15 . 1 1 103 103 CYS CA C 103 56.100 56.100 55.797 0.303 19749 8417 1 15 . 1 1 103 103 CYS CB C 103 29.600 29.600 29.913 -0.313 19749 8418 1 15 . 1 1 103 103 CYS H H 103 6.920 6.920 7.455 -0.535 19749 8419 1 15 . 1 1 104 104 ALA N N 104 119.600 119.600 122.053 -2.453 19749 8420 1 15 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.306 -0.096 19749 8421 1 15 . 1 1 104 104 ALA C C 104 176.300 176.300 177.439 -1.139 19749 8422 1 15 . 1 1 104 104 ALA CA C 104 51.600 51.600 51.586 0.014 19749 8423 1 15 . 1 1 104 104 ALA CB C 104 19.400 19.400 19.680 -0.280 19749 8424 1 15 . 1 1 104 104 ALA H H 104 7.840 7.840 8.005 -0.165 19749 8425 1 15 . 1 1 105 105 LEU N N 105 117.100 117.100 121.953 -4.853 19749 8426 1 15 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.624 0.156 19749 8427 1 15 . 1 1 105 105 LEU C C 105 175.400 175.400 176.219 -0.819 19749 8428 1 15 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.749 -1.149 19749 8429 1 15 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.119 -1.719 19749 8430 1 15 . 1 1 105 105 LEU H H 105 7.610 7.610 8.096 -0.486 19749 8431 1 15 . 1 1 106 106 LEU N N 106 124.700 124.700 128.217 -3.517 19749 8432 1 15 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.726 -0.126 19749 8433 1 15 . 1 1 106 106 LEU C C 106 177.600 177.600 176.126 1.474 19749 8434 1 15 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.959 0.341 19749 8435 1 15 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.924 2.076 19749 8436 1 15 . 1 1 106 106 LEU H H 106 8.160 8.160 7.892 0.268 19749 8437 1 15 . 1 1 107 107 LEU N N 107 121.400 121.400 121.762 -0.362 19749 8438 1 15 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.017 0.093 19749 8439 1 15 . 1 1 107 107 LEU CA C 107 51.700 51.700 51.389 0.311 19749 8440 1 15 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.166 1.434 19749 8441 1 15 . 1 1 107 107 LEU H H 107 7.930 7.930 7.777 0.153 19749 8442 1 15 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.919 -0.489 19749 8443 1 15 . 1 1 108 108 PRO C C 108 176.500 176.500 177.189 -0.689 19749 8444 1 15 . 1 1 108 108 PRO CA C 108 62.400 62.400 65.001 -2.601 19749 8445 1 15 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.299 0.501 19749 8446 1 16 . 1 1 10 10 HIS C C 10 175.000 175.000 174.664 0.336 19749 8447 1 16 . 1 1 10 10 HIS CA C 10 55.900 55.900 56.445 -0.545 19749 8448 1 16 . 1 1 10 10 HIS CB C 10 29.900 29.900 30.693 -0.793 19749 8449 1 16 . 1 1 11 11 MET N N 11 120.400 120.400 118.072 2.328 19749 8450 1 16 . 1 1 11 11 MET HA H 11 4.000 4.000 4.002 -0.002 19749 8451 1 16 . 1 1 11 11 MET C C 11 177.500 177.500 175.458 2.042 19749 8452 1 16 . 1 1 11 11 MET CA C 11 54.100 54.100 55.638 -1.538 19749 8453 1 16 . 1 1 11 11 MET CB C 11 31.500 31.500 31.503 -0.003 19749 8454 1 16 . 1 1 11 11 MET H H 11 7.800 7.800 8.277 -0.477 19749 8455 1 16 . 1 1 12 12 SER N N 12 118.600 118.600 116.357 2.243 19749 8456 1 16 . 1 1 12 12 SER HA H 12 3.860 3.860 4.065 -0.205 19749 8457 1 16 . 1 1 12 12 SER C C 12 173.900 173.900 175.052 -1.152 19749 8458 1 16 . 1 1 12 12 SER CA C 12 61.200 61.200 57.130 4.070 19749 8459 1 16 . 1 1 12 12 SER CB C 12 62.500 62.500 61.407 1.093 19749 8460 1 16 . 1 1 12 12 SER H H 12 8.520 8.520 8.111 0.409 19749 8461 1 16 . 1 1 13 13 TRP N N 13 113.400 113.400 119.926 -6.526 19749 8462 1 16 . 1 1 13 13 TRP HA H 13 4.890 4.890 3.891 0.999 19749 8463 1 16 . 1 1 13 13 TRP C C 13 176.000 176.000 174.426 1.574 19749 8464 1 16 . 1 1 13 13 TRP CA C 13 53.800 53.800 58.608 -4.808 19749 8465 1 16 . 1 1 13 13 TRP CB C 13 30.100 30.100 27.290 2.810 19749 8466 1 16 . 1 1 13 13 TRP H H 13 6.180 6.180 8.144 -1.964 19749 8467 1 16 . 1 1 14 14 TYR N N 14 123.200 123.200 126.027 -2.827 19749 8468 1 16 . 1 1 14 14 TYR HA H 14 5.570 5.570 4.530 1.040 19749 8469 1 16 . 1 1 14 14 TYR C C 14 174.700 174.700 174.348 0.352 19749 8470 1 16 . 1 1 14 14 TYR CA C 14 56.000 56.000 58.285 -2.284 19749 8471 1 16 . 1 1 14 14 TYR CB C 14 37.900 37.900 38.136 -0.235 19749 8472 1 16 . 1 1 14 14 TYR H H 14 7.430 7.430 6.739 0.691 19749 8473 1 16 . 1 1 15 15 HIS N N 15 126.900 126.900 126.879 0.021 19749 8474 1 16 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.693 -0.143 19749 8475 1 16 . 1 1 15 15 HIS C C 15 173.300 173.300 175.579 -2.279 19749 8476 1 16 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.898 -1.798 19749 8477 1 16 . 1 1 15 15 HIS CB C 15 30.400 30.400 32.854 -2.454 19749 8478 1 16 . 1 1 15 15 HIS H H 15 8.680 8.680 8.392 0.288 19749 8479 1 16 . 1 1 16 16 ARG N N 16 122.500 122.500 119.678 2.822 19749 8480 1 16 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.266 -0.316 19749 8481 1 16 . 1 1 16 16 ARG C C 16 176.100 176.100 175.918 0.182 19749 8482 1 16 . 1 1 16 16 ARG CA C 16 57.300 57.300 55.834 1.466 19749 8483 1 16 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.786 -0.686 19749 8484 1 16 . 1 1 16 16 ARG H H 16 7.740 7.740 8.587 -0.847 19749 8485 1 16 . 1 1 17 17 ASP N N 17 119.100 119.100 119.806 -0.706 19749 8486 1 16 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.815 -0.295 19749 8487 1 16 . 1 1 17 17 ASP C C 17 174.900 174.900 175.835 -0.935 19749 8488 1 16 . 1 1 17 17 ASP CA C 17 54.800 54.800 54.534 0.266 19749 8489 1 16 . 1 1 17 17 ASP CB C 17 39.900 39.900 39.932 -0.032 19749 8490 1 16 . 1 1 17 17 ASP H H 17 8.900 8.900 8.478 0.422 19749 8491 1 16 . 1 1 18 18 LEU N N 18 121.000 121.000 125.252 -4.252 19749 8492 1 16 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.627 -0.117 19749 8493 1 16 . 1 1 18 18 LEU C C 18 176.300 176.300 174.874 1.426 19749 8494 1 16 . 1 1 18 18 LEU CA C 18 54.500 54.500 53.872 0.628 19749 8495 1 16 . 1 1 18 18 LEU CB C 18 44.800 44.800 46.378 -1.578 19749 8496 1 16 . 1 1 18 18 LEU H H 18 7.280 7.280 8.210 -0.930 19749 8497 1 16 . 1 1 19 19 SER N N 19 123.400 123.400 120.732 2.668 19749 8498 1 16 . 1 1 19 19 SER HA H 19 4.440 4.440 4.857 -0.417 19749 8499 1 16 . 1 1 19 19 SER C C 19 173.900 173.900 175.011 -1.111 19749 8500 1 16 . 1 1 19 19 SER CA C 19 57.700 57.700 57.400 0.300 19749 8501 1 16 . 1 1 19 19 SER CB C 19 65.200 65.200 65.463 -0.263 19749 8502 1 16 . 1 1 19 19 SER H H 19 8.650 8.650 8.488 0.162 19749 8503 1 16 . 1 1 20 20 ARG N N 20 121.700 121.700 121.023 0.677 19749 8504 1 16 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.045 -0.335 19749 8505 1 16 . 1 1 20 20 ARG C C 20 178.200 178.200 178.385 -0.185 19749 8506 1 16 . 1 1 20 20 ARG CA C 20 60.600 60.600 60.029 0.571 19749 8507 1 16 . 1 1 20 20 ARG CB C 20 30.100 30.100 29.957 0.143 19749 8508 1 16 . 1 1 20 20 ARG H H 20 8.970 8.970 8.886 0.084 19749 8509 1 16 . 1 1 21 21 ALA N N 21 119.900 119.900 119.372 0.528 19749 8510 1 16 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.358 -0.318 19749 8511 1 16 . 1 1 21 21 ALA C C 21 180.600 180.600 179.484 1.116 19749 8512 1 16 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.689 0.511 19749 8513 1 16 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.112 0.188 19749 8514 1 16 . 1 1 21 21 ALA H H 21 8.670 8.670 8.476 0.194 19749 8515 1 16 . 1 1 22 22 ALA N N 22 121.000 121.000 120.513 0.487 19749 8516 1 16 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.052 0.078 19749 8517 1 16 . 1 1 22 22 ALA C C 22 180.900 180.900 179.398 1.502 19749 8518 1 16 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.492 0.208 19749 8519 1 16 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.288 0.712 19749 8520 1 16 . 1 1 22 22 ALA H H 22 7.890 7.890 7.673 0.217 19749 8521 1 16 . 1 1 23 23 ALA N N 23 121.700 121.700 121.656 0.044 19749 8522 1 16 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.943 -0.063 19749 8523 1 16 . 1 1 23 23 ALA C C 23 178.700 178.700 179.601 -0.901 19749 8524 1 16 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.020 0.080 19749 8525 1 16 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.468 0.732 19749 8526 1 16 . 1 1 23 23 ALA H H 23 8.570 8.570 7.983 0.587 19749 8527 1 16 . 1 1 24 24 GLU N N 24 116.500 116.500 117.759 -1.259 19749 8528 1 16 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.973 -0.213 19749 8529 1 16 . 1 1 24 24 GLU C C 24 178.900 178.900 178.731 0.169 19749 8530 1 16 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.067 1.433 19749 8531 1 16 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.077 -0.577 19749 8532 1 16 . 1 1 24 24 GLU H H 24 8.200 8.200 8.459 -0.259 19749 8533 1 16 . 1 1 25 25 GLU N N 25 120.000 120.000 120.971 -0.971 19749 8534 1 16 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.088 -0.028 19749 8535 1 16 . 1 1 25 25 GLU C C 25 178.400 178.400 178.733 -0.333 19749 8536 1 16 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.854 0.546 19749 8537 1 16 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.571 -0.071 19749 8538 1 16 . 1 1 25 25 GLU H H 25 7.690 7.690 7.673 0.017 19749 8539 1 16 . 1 1 26 26 LEU N N 26 120.200 120.200 121.316 -1.116 19749 8540 1 16 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.019 -0.109 19749 8541 1 16 . 1 1 26 26 LEU C C 26 180.200 180.200 178.832 1.368 19749 8542 1 16 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.551 0.649 19749 8543 1 16 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.708 0.692 19749 8544 1 16 . 1 1 26 26 LEU H H 26 7.840 7.840 7.574 0.266 19749 8545 1 16 . 1 1 27 27 LEU N N 27 117.800 117.800 118.899 -1.099 19749 8546 1 16 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.888 0.092 19749 8547 1 16 . 1 1 27 27 LEU C C 27 177.800 177.800 179.379 -1.579 19749 8548 1 16 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.998 -0.398 19749 8549 1 16 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.384 0.516 19749 8550 1 16 . 1 1 27 27 LEU H H 27 7.960 7.960 8.321 -0.361 19749 8551 1 16 . 1 1 28 28 ALA N N 28 120.600 120.600 119.094 1.506 19749 8552 1 16 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.057 -0.157 19749 8553 1 16 . 1 1 28 28 ALA C C 28 180.900 180.900 178.196 2.704 19749 8554 1 16 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.534 0.666 19749 8555 1 16 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.788 -0.888 19749 8556 1 16 . 1 1 28 28 ALA H H 28 8.160 8.160 7.806 0.354 19749 8557 1 16 . 1 1 29 29 ARG N N 29 116.200 116.200 117.527 -1.327 19749 8558 1 16 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.215 -0.255 19749 8559 1 16 . 1 1 29 29 ARG C C 29 178.000 178.000 178.327 -0.327 19749 8560 1 16 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.174 0.426 19749 8561 1 16 . 1 1 29 29 ARG CB C 29 30.300 30.300 31.009 -0.709 19749 8562 1 16 . 1 1 29 29 ARG H H 29 7.760 7.760 7.624 0.136 19749 8563 1 16 . 1 1 30 30 ALA N N 30 123.200 123.200 120.335 2.865 19749 8564 1 16 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.272 -0.072 19749 8565 1 16 . 1 1 30 30 ALA C C 30 182.000 182.000 178.812 3.188 19749 8566 1 16 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.938 0.962 19749 8567 1 16 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.199 -0.499 19749 8568 1 16 . 1 1 30 30 ALA H H 30 7.580 7.580 7.849 -0.269 19749 8569 1 16 . 1 1 31 31 GLY N N 31 102.400 102.400 107.115 -4.715 19749 8570 1 16 . 1 1 31 31 GLY C C 31 174.800 174.800 172.576 2.224 19749 8571 1 16 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.177 3.923 19749 8572 1 16 . 1 1 31 31 GLY H H 31 7.690 7.690 7.793 -0.103 19749 8573 1 16 . 1 1 32 32 ARG N N 32 121.100 121.100 124.152 -3.052 19749 8574 1 16 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.195 0.265 19749 8575 1 16 . 1 1 32 32 ARG C C 32 176.500 176.500 175.694 0.806 19749 8576 1 16 . 1 1 32 32 ARG CA C 32 55.400 55.400 56.797 -1.397 19749 8577 1 16 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.816 2.784 19749 8578 1 16 . 1 1 32 32 ARG H H 32 7.040 7.040 8.419 -1.379 19749 8579 1 16 . 1 1 33 33 ASP N N 33 126.100 126.100 124.564 1.536 19749 8580 1 16 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.513 0.257 19749 8581 1 16 . 1 1 33 33 ASP C C 33 176.800 176.800 175.167 1.633 19749 8582 1 16 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.848 1.152 19749 8583 1 16 . 1 1 33 33 ASP CB C 33 41.000 41.000 40.536 0.464 19749 8584 1 16 . 1 1 33 33 ASP H H 33 9.110 9.110 8.301 0.809 19749 8585 1 16 . 1 1 34 34 GLY N N 34 109.400 109.400 111.051 -1.651 19749 8586 1 16 . 1 1 34 34 GLY C C 34 175.800 175.800 174.625 1.175 19749 8587 1 16 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.311 0.689 19749 8588 1 16 . 1 1 34 34 GLY H H 34 9.440 9.440 8.415 1.025 19749 8589 1 16 . 1 1 35 35 SER N N 35 120.400 120.400 115.673 4.727 19749 8590 1 16 . 1 1 35 35 SER HA H 35 5.990 5.990 5.562 0.428 19749 8591 1 16 . 1 1 35 35 SER C C 35 173.400 173.400 174.203 -0.803 19749 8592 1 16 . 1 1 35 35 SER CA C 35 59.800 59.800 57.559 2.241 19749 8593 1 16 . 1 1 35 35 SER CB C 35 63.700 63.700 64.843 -1.143 19749 8594 1 16 . 1 1 35 35 SER H H 35 8.050 8.050 7.508 0.542 19749 8595 1 16 . 1 1 36 36 PHE N N 36 122.000 122.000 116.256 5.744 19749 8596 1 16 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.725 0.315 19749 8597 1 16 . 1 1 36 36 PHE C C 36 170.900 170.900 173.209 -2.309 19749 8598 1 16 . 1 1 36 36 PHE CA C 36 56.300 56.300 56.293 0.007 19749 8599 1 16 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.867 1.533 19749 8600 1 16 . 1 1 36 36 PHE H H 36 8.730 8.730 8.497 0.233 19749 8601 1 16 . 1 1 37 37 LEU N N 37 112.500 112.500 114.864 -2.364 19749 8602 1 16 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.200 -0.150 19749 8603 1 16 . 1 1 37 37 LEU C C 37 175.100 175.100 174.845 0.255 19749 8604 1 16 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.087 0.413 19749 8605 1 16 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.585 -0.385 19749 8606 1 16 . 1 1 37 37 LEU H H 37 9.000 9.000 8.757 0.243 19749 8607 1 16 . 1 1 38 38 VAL N N 38 120.200 120.200 119.308 0.892 19749 8608 1 16 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.488 -0.008 19749 8609 1 16 . 1 1 38 38 VAL C C 38 173.600 173.600 175.230 -1.630 19749 8610 1 16 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.849 0.351 19749 8611 1 16 . 1 1 38 38 VAL CB C 38 35.200 35.200 35.259 -0.059 19749 8612 1 16 . 1 1 38 38 VAL H H 38 9.830 9.830 8.899 0.931 19749 8613 1 16 . 1 1 39 39 ARG N N 39 124.000 124.000 122.224 1.776 19749 8614 1 16 . 1 1 39 39 ARG HA H 39 5.520 5.520 4.892 0.628 19749 8615 1 16 . 1 1 39 39 ARG C C 39 174.700 174.700 173.925 0.775 19749 8616 1 16 . 1 1 39 39 ARG CA C 39 52.800 52.800 54.293 -1.493 19749 8617 1 16 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.970 0.230 19749 8618 1 16 . 1 1 39 39 ARG H H 39 9.240 9.240 8.946 0.294 19749 8619 1 16 . 1 1 40 40 ASP N N 40 122.800 122.800 121.697 1.103 19749 8620 1 16 . 1 1 40 40 ASP HA H 40 4.950 4.950 4.978 -0.028 19749 8621 1 16 . 1 1 40 40 ASP C C 40 176.500 176.500 175.806 0.694 19749 8622 1 16 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.890 2.010 19749 8623 1 16 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.101 -1.201 19749 8624 1 16 . 1 1 40 40 ASP H H 40 9.060 9.060 8.686 0.374 19749 8625 1 16 . 1 1 41 41 SER N N 41 113.600 113.600 123.561 -9.961 19749 8626 1 16 . 1 1 41 41 SER HA H 41 4.200 4.200 4.710 -0.510 19749 8627 1 16 . 1 1 41 41 SER C C 41 175.700 175.700 174.678 1.022 19749 8628 1 16 . 1 1 41 41 SER CA C 41 58.400 58.400 57.807 0.593 19749 8629 1 16 . 1 1 41 41 SER CB C 41 63.900 63.900 63.100 0.800 19749 8630 1 16 . 1 1 41 41 SER H H 41 7.870 7.870 8.401 -0.531 19749 8631 1 16 . 1 1 42 42 GLU N N 42 127.200 127.200 126.542 0.658 19749 8632 1 16 . 1 1 42 42 GLU HA H 42 4.390 4.390 3.956 0.434 19749 8633 1 16 . 1 1 42 42 GLU C C 42 176.500 176.500 176.966 -0.466 19749 8634 1 16 . 1 1 42 42 GLU CA C 42 57.700 57.700 59.479 -1.779 19749 8635 1 16 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.759 -0.259 19749 8636 1 16 . 1 1 42 42 GLU H H 42 9.600 9.600 8.281 1.319 19749 8637 1 16 . 1 1 43 43 SER N N 43 113.400 113.400 114.543 -1.143 19749 8638 1 16 . 1 1 43 43 SER HA H 43 4.590 4.590 4.497 0.093 19749 8639 1 16 . 1 1 43 43 SER C C 43 174.000 174.000 173.842 0.158 19749 8640 1 16 . 1 1 43 43 SER CA C 43 59.400 59.400 58.508 0.892 19749 8641 1 16 . 1 1 43 43 SER CB C 43 65.100 65.100 61.495 3.605 19749 8642 1 16 . 1 1 43 43 SER H H 43 8.110 8.110 8.370 -0.260 19749 8643 1 16 . 1 1 44 44 VAL N N 44 123.200 123.200 120.116 3.084 19749 8644 1 16 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.297 -0.157 19749 8645 1 16 . 1 1 44 44 VAL C C 44 174.800 174.800 174.923 -0.123 19749 8646 1 16 . 1 1 44 44 VAL CA C 44 61.700 61.700 63.750 -2.050 19749 8647 1 16 . 1 1 44 44 VAL CB C 44 33.700 33.700 34.002 -0.302 19749 8648 1 16 . 1 1 44 44 VAL H H 44 7.620 7.620 7.663 -0.043 19749 8649 1 16 . 1 1 45 45 ALA N N 45 130.900 130.900 122.314 8.586 19749 8650 1 16 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.395 -0.245 19749 8651 1 16 . 1 1 45 45 ALA C C 45 178.700 178.700 176.964 1.736 19749 8652 1 16 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.319 1.381 19749 8653 1 16 . 1 1 45 45 ALA CB C 45 18.100 18.100 19.663 -1.562 19749 8654 1 16 . 1 1 45 45 ALA H H 45 8.480 8.480 8.320 0.160 19749 8655 1 16 . 1 1 46 46 GLY N N 46 111.400 111.400 108.694 2.706 19749 8656 1 16 . 1 1 46 46 GLY C C 46 171.700 171.700 172.907 -1.207 19749 8657 1 16 . 1 1 46 46 GLY CA C 46 45.400 45.400 45.276 0.124 19749 8658 1 16 . 1 1 46 46 GLY H H 46 8.600 8.600 8.223 0.377 19749 8659 1 16 . 1 1 47 47 ALA N N 47 117.600 117.600 124.607 -7.007 19749 8660 1 16 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.582 0.298 19749 8661 1 16 . 1 1 47 47 ALA C C 47 177.200 177.200 174.779 2.421 19749 8662 1 16 . 1 1 47 47 ALA CA C 47 49.800 49.800 51.362 -1.562 19749 8663 1 16 . 1 1 47 47 ALA CB C 47 21.700 21.700 22.310 -0.610 19749 8664 1 16 . 1 1 47 47 ALA H H 47 7.340 7.340 7.401 -0.061 19749 8665 1 16 . 1 1 48 48 PHE N N 48 117.100 117.100 119.258 -2.158 19749 8666 1 16 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.665 -0.295 19749 8667 1 16 . 1 1 48 48 PHE C C 48 174.100 174.100 174.522 -0.422 19749 8668 1 16 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.266 0.235 19749 8669 1 16 . 1 1 48 48 PHE CB C 48 43.900 43.900 42.949 0.951 19749 8670 1 16 . 1 1 48 48 PHE H H 48 9.160 9.160 8.464 0.696 19749 8671 1 16 . 1 1 49 49 ALA N N 49 125.600 125.600 124.615 0.985 19749 8672 1 16 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.495 -0.305 19749 8673 1 16 . 1 1 49 49 ALA C C 49 174.900 174.900 175.438 -0.538 19749 8674 1 16 . 1 1 49 49 ALA CA C 49 51.200 51.200 49.825 1.375 19749 8675 1 16 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.136 -1.736 19749 8676 1 16 . 1 1 49 49 ALA H H 49 9.630 9.630 9.282 0.348 19749 8677 1 16 . 1 1 50 50 LEU N N 50 127.100 127.100 124.696 2.404 19749 8678 1 16 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.580 -0.510 19749 8679 1 16 . 1 1 50 50 LEU C C 50 174.500 174.500 175.850 -1.350 19749 8680 1 16 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.710 0.290 19749 8681 1 16 . 1 1 50 50 LEU CB C 50 43.900 43.900 44.300 -0.400 19749 8682 1 16 . 1 1 50 50 LEU H H 50 9.350 9.350 8.615 0.735 19749 8683 1 16 . 1 1 51 51 CYS N N 51 127.300 127.300 129.109 -1.809 19749 8684 1 16 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.336 0.074 19749 8685 1 16 . 1 1 51 51 CYS C C 51 173.000 173.000 173.281 -0.281 19749 8686 1 16 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.443 0.757 19749 8687 1 16 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.154 2.246 19749 8688 1 16 . 1 1 51 51 CYS H H 51 9.300 9.300 9.103 0.197 19749 8689 1 16 . 1 1 52 52 VAL N N 52 123.100 123.100 130.309 -7.209 19749 8690 1 16 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.759 0.401 19749 8691 1 16 . 1 1 52 52 VAL C C 52 173.800 173.800 174.352 -0.552 19749 8692 1 16 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.547 -1.647 19749 8693 1 16 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.056 2.244 19749 8694 1 16 . 1 1 52 52 VAL H H 52 9.460 9.460 9.229 0.231 19749 8695 1 16 . 1 1 53 53 LEU N N 53 130.700 130.700 130.116 0.584 19749 8696 1 16 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.096 -0.116 19749 8697 1 16 . 1 1 53 53 LEU C C 53 175.200 175.200 175.057 0.143 19749 8698 1 16 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.831 0.169 19749 8699 1 16 . 1 1 53 53 LEU CB C 53 45.300 45.300 43.565 1.735 19749 8700 1 16 . 1 1 53 53 LEU H H 53 9.320 9.320 8.489 0.831 19749 8701 1 16 . 1 1 54 54 TYR N N 54 125.700 125.700 127.386 -1.686 19749 8702 1 16 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.809 0.101 19749 8703 1 16 . 1 1 54 54 TYR C C 54 175.400 175.400 173.934 1.466 19749 8704 1 16 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.042 0.658 19749 8705 1 16 . 1 1 54 54 TYR CB C 54 41.700 41.700 41.279 0.421 19749 8706 1 16 . 1 1 54 54 TYR H H 54 9.260 9.260 8.863 0.397 19749 8707 1 16 . 1 1 55 55 GLN N N 55 129.900 129.900 128.996 0.904 19749 8708 1 16 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.698 0.002 19749 8709 1 16 . 1 1 55 55 GLN C C 55 175.900 175.900 174.807 1.093 19749 8710 1 16 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.816 -0.116 19749 8711 1 16 . 1 1 55 55 GLN CB C 55 25.600 25.600 27.412 -1.812 19749 8712 1 16 . 1 1 55 55 GLN H H 55 9.750 9.750 8.931 0.819 19749 8713 1 16 . 1 1 56 56 LYS N N 56 107.600 107.600 113.780 -6.180 19749 8714 1 16 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.837 -0.397 19749 8715 1 16 . 1 1 56 56 LYS C C 56 174.800 174.800 174.917 -0.117 19749 8716 1 16 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.326 1.074 19749 8717 1 16 . 1 1 56 56 LYS CB C 56 29.800 29.800 30.407 -0.607 19749 8718 1 16 . 1 1 56 56 LYS H H 56 8.920 8.920 8.525 0.395 19749 8719 1 16 . 1 1 57 57 HIS N N 57 118.200 118.200 116.733 1.467 19749 8720 1 16 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.775 0.125 19749 8721 1 16 . 1 1 57 57 HIS C C 57 173.400 173.400 173.824 -0.424 19749 8722 1 16 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.874 -0.574 19749 8723 1 16 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.921 -0.021 19749 8724 1 16 . 1 1 57 57 HIS H H 57 7.980 7.980 7.531 0.449 19749 8725 1 16 . 1 1 58 58 VAL N N 58 124.500 124.500 126.774 -2.274 19749 8726 1 16 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.607 -0.267 19749 8727 1 16 . 1 1 58 58 VAL C C 58 175.700 175.700 175.438 0.262 19749 8728 1 16 . 1 1 58 58 VAL CA C 58 63.100 63.100 62.145 0.955 19749 8729 1 16 . 1 1 58 58 VAL CB C 58 32.000 32.000 31.807 0.193 19749 8730 1 16 . 1 1 58 58 VAL H H 58 8.800 8.800 8.590 0.210 19749 8731 1 16 . 1 1 59 59 HIS N N 59 132.200 132.200 129.049 3.151 19749 8732 1 16 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.836 -0.316 19749 8733 1 16 . 1 1 59 59 HIS C C 59 174.100 174.100 173.993 0.107 19749 8734 1 16 . 1 1 59 59 HIS CA C 59 55.700 55.700 53.801 1.899 19749 8735 1 16 . 1 1 59 59 HIS CB C 59 32.200 32.200 32.446 -0.246 19749 8736 1 16 . 1 1 59 59 HIS H H 59 9.830 9.830 9.017 0.813 19749 8737 1 16 . 1 1 60 60 THR N N 60 119.300 119.300 122.910 -3.610 19749 8738 1 16 . 1 1 60 60 THR HA H 60 5.280 5.280 5.101 0.179 19749 8739 1 16 . 1 1 60 60 THR C C 60 173.700 173.700 173.477 0.223 19749 8740 1 16 . 1 1 60 60 THR CA C 60 62.100 62.100 61.273 0.827 19749 8741 1 16 . 1 1 60 60 THR CB C 60 70.300 70.300 70.312 -0.012 19749 8742 1 16 . 1 1 60 60 THR H H 60 8.420 8.420 8.551 -0.131 19749 8743 1 16 . 1 1 61 61 TYR N N 61 127.000 127.000 124.946 2.054 19749 8744 1 16 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.842 -0.042 19749 8745 1 16 . 1 1 61 61 TYR C C 61 175.000 175.000 175.128 -0.128 19749 8746 1 16 . 1 1 61 61 TYR CA C 61 56.500 56.500 57.122 -0.622 19749 8747 1 16 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.574 1.326 19749 8748 1 16 . 1 1 61 61 TYR H H 61 9.810 9.810 8.735 1.075 19749 8749 1 16 . 1 1 62 62 ARG N N 62 124.200 124.200 125.566 -1.366 19749 8750 1 16 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.662 0.048 19749 8751 1 16 . 1 1 62 62 ARG C C 62 175.000 175.000 175.672 -0.672 19749 8752 1 16 . 1 1 62 62 ARG CA C 62 56.900 56.900 56.138 0.762 19749 8753 1 16 . 1 1 62 62 ARG CB C 62 31.500 31.500 29.807 1.693 19749 8754 1 16 . 1 1 62 62 ARG H H 62 9.240 9.240 8.765 0.475 19749 8755 1 16 . 1 1 63 63 ILE N N 63 124.100 124.100 124.979 -0.879 19749 8756 1 16 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.182 0.578 19749 8757 1 16 . 1 1 63 63 ILE C C 63 174.900 174.900 175.293 -0.393 19749 8758 1 16 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.845 -0.345 19749 8759 1 16 . 1 1 63 63 ILE CB C 63 39.600 39.600 39.296 0.304 19749 8760 1 16 . 1 1 63 63 ILE H H 63 8.810 8.810 8.439 0.371 19749 8761 1 16 . 1 1 64 64 LEU N N 64 126.200 126.200 127.667 -1.467 19749 8762 1 16 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.818 0.382 19749 8763 1 16 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.520 -0.920 19749 8764 1 16 . 1 1 64 64 LEU CB C 64 44.200 44.200 41.658 2.542 19749 8765 1 16 . 1 1 64 64 LEU H H 64 8.660 8.660 8.943 -0.283 19749 8766 1 16 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.540 0.690 19749 8767 1 16 . 1 1 65 65 PRO C C 65 177.000 177.000 176.319 0.681 19749 8768 1 16 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.585 -2.085 19749 8769 1 16 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.678 -0.378 19749 8770 1 16 . 1 1 66 66 ASP N N 66 124.500 124.500 114.759 9.741 19749 8771 1 16 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.761 0.139 19749 8772 1 16 . 1 1 66 66 ASP C C 66 177.200 177.200 176.445 0.755 19749 8773 1 16 . 1 1 66 66 ASP CA C 66 52.600 52.600 53.504 -0.904 19749 8774 1 16 . 1 1 66 66 ASP CB C 66 43.000 43.000 42.810 0.190 19749 8775 1 16 . 1 1 66 66 ASP H H 66 8.650 8.650 7.764 0.886 19749 8776 1 16 . 1 1 67 67 GLY N N 67 108.300 108.300 110.275 -1.975 19749 8777 1 16 . 1 1 67 67 GLY C C 67 174.700 174.700 173.890 0.810 19749 8778 1 16 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.461 0.440 19749 8779 1 16 . 1 1 67 67 GLY H H 67 8.420 8.420 8.590 -0.170 19749 8780 1 16 . 1 1 68 68 GLU N N 68 120.300 120.300 120.646 -0.346 19749 8781 1 16 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.497 -0.157 19749 8782 1 16 . 1 1 68 68 GLU C C 68 176.100 176.100 174.989 1.111 19749 8783 1 16 . 1 1 68 68 GLU CA C 68 56.800 56.800 56.109 0.691 19749 8784 1 16 . 1 1 68 68 GLU CB C 68 30.300 30.300 30.508 -0.208 19749 8785 1 16 . 1 1 68 68 GLU H H 68 8.580 8.580 8.603 -0.023 19749 8786 1 16 . 1 1 69 69 ASP N N 69 115.000 115.000 118.516 -3.516 19749 8787 1 16 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.724 -0.204 19749 8788 1 16 . 1 1 69 69 ASP C C 69 175.500 175.500 173.747 1.753 19749 8789 1 16 . 1 1 69 69 ASP CA C 69 55.900 55.900 53.216 2.684 19749 8790 1 16 . 1 1 69 69 ASP CB C 69 40.600 40.600 42.666 -2.066 19749 8791 1 16 . 1 1 69 69 ASP H H 69 8.360 8.360 7.763 0.597 19749 8792 1 16 . 1 1 70 70 PHE N N 70 117.200 117.200 117.942 -0.742 19749 8793 1 16 . 1 1 70 70 PHE HA H 70 4.990 4.990 4.745 0.245 19749 8794 1 16 . 1 1 70 70 PHE C C 70 175.700 175.700 175.203 0.497 19749 8795 1 16 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.949 0.651 19749 8796 1 16 . 1 1 70 70 PHE CB C 70 41.700 41.700 42.299 -0.599 19749 8797 1 16 . 1 1 70 70 PHE H H 70 8.120 8.120 8.212 -0.092 19749 8798 1 16 . 1 1 71 71 LEU N N 71 120.900 120.900 119.815 1.085 19749 8799 1 16 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.250 -0.300 19749 8800 1 16 . 1 1 71 71 LEU C C 71 175.900 175.900 175.782 0.118 19749 8801 1 16 . 1 1 71 71 LEU CA C 71 53.900 53.900 54.197 -0.297 19749 8802 1 16 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.149 3.551 19749 8803 1 16 . 1 1 71 71 LEU H H 71 9.330 9.330 8.414 0.916 19749 8804 1 16 . 1 1 72 72 ALA N N 72 121.500 121.500 127.247 -5.747 19749 8805 1 16 . 1 1 72 72 ALA HA H 72 5.210 5.210 5.050 0.160 19749 8806 1 16 . 1 1 72 72 ALA C C 72 176.900 176.900 176.346 0.554 19749 8807 1 16 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.201 1.299 19749 8808 1 16 . 1 1 72 72 ALA CB C 72 23.000 23.000 21.766 1.234 19749 8809 1 16 . 1 1 72 72 ALA H H 72 8.670 8.670 8.210 0.460 19749 8810 1 16 . 1 1 73 73 VAL N N 73 122.700 122.700 121.291 1.409 19749 8811 1 16 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.193 0.387 19749 8812 1 16 . 1 1 73 73 VAL C C 73 175.100 175.100 175.807 -0.707 19749 8813 1 16 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.845 -0.045 19749 8814 1 16 . 1 1 73 73 VAL CB C 73 33.800 33.800 32.567 1.233 19749 8815 1 16 . 1 1 73 73 VAL H H 73 9.310 9.310 8.056 1.254 19749 8816 1 16 . 1 1 74 74 GLN N N 74 128.600 128.600 126.126 2.474 19749 8817 1 16 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.653 0.057 19749 8818 1 16 . 1 1 74 74 GLN C C 74 175.900 175.900 176.413 -0.513 19749 8819 1 16 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.156 -0.056 19749 8820 1 16 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.607 2.093 19749 8821 1 16 . 1 1 74 74 GLN H H 74 9.090 9.090 8.776 0.314 19749 8822 1 16 . 1 1 75 75 THR N N 75 117.700 117.700 117.115 0.585 19749 8823 1 16 . 1 1 75 75 THR HA H 75 4.490 4.490 4.603 -0.113 19749 8824 1 16 . 1 1 75 75 THR C C 75 174.700 174.700 175.052 -0.352 19749 8825 1 16 . 1 1 75 75 THR CA C 75 62.200 62.200 62.898 -0.698 19749 8826 1 16 . 1 1 75 75 THR CB C 75 69.800 69.800 69.566 0.235 19749 8827 1 16 . 1 1 75 75 THR H H 75 8.510 8.510 8.280 0.230 19749 8828 1 16 . 1 1 76 76 SER N N 76 115.300 115.300 114.668 0.632 19749 8829 1 16 . 1 1 76 76 SER HA H 76 4.540 4.540 4.557 -0.017 19749 8830 1 16 . 1 1 76 76 SER C C 76 174.200 174.200 172.466 1.734 19749 8831 1 16 . 1 1 76 76 SER CA C 76 58.600 58.600 58.204 0.396 19749 8832 1 16 . 1 1 76 76 SER CB C 76 64.200 64.200 65.134 -0.934 19749 8833 1 16 . 1 1 76 76 SER H H 76 8.250 8.250 7.924 0.326 19749 8834 1 16 . 1 1 77 77 GLN N N 77 120.500 120.500 124.334 -3.834 19749 8835 1 16 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.303 -0.083 19749 8836 1 16 . 1 1 77 77 GLN C C 77 176.900 176.900 176.400 0.500 19749 8837 1 16 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.299 0.001 19749 8838 1 16 . 1 1 77 77 GLN CB C 77 28.900 28.900 29.145 -0.245 19749 8839 1 16 . 1 1 77 77 GLN H H 77 8.510 8.510 8.461 0.049 19749 8840 1 16 . 1 1 78 78 GLY N N 78 110.300 110.300 113.595 -3.295 19749 8841 1 16 . 1 1 78 78 GLY C C 78 173.800 173.800 173.709 0.091 19749 8842 1 16 . 1 1 78 78 GLY CA C 78 45.500 45.500 44.695 0.805 19749 8843 1 16 . 1 1 78 78 GLY H H 78 8.610 8.610 8.781 -0.171 19749 8844 1 16 . 1 1 79 79 VAL N N 79 119.500 119.500 120.439 -0.939 19749 8845 1 16 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.343 0.207 19749 8846 1 16 . 1 1 79 79 VAL CA C 79 59.500 59.500 60.570 -1.070 19749 8847 1 16 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.015 0.785 19749 8848 1 16 . 1 1 79 79 VAL H H 79 7.400 7.400 7.798 -0.398 19749 8849 1 16 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.463 -0.043 19749 8850 1 16 . 1 1 80 80 PRO C C 80 176.900 176.900 175.995 0.905 19749 8851 1 16 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.069 0.231 19749 8852 1 16 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.837 0.463 19749 8853 1 16 . 1 1 81 81 VAL N N 81 121.600 121.600 122.693 -1.093 19749 8854 1 16 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.287 -0.247 19749 8855 1 16 . 1 1 81 81 VAL C C 81 175.800 175.800 176.179 -0.379 19749 8856 1 16 . 1 1 81 81 VAL CA C 81 63.000 63.000 61.165 1.835 19749 8857 1 16 . 1 1 81 81 VAL CB C 81 32.800 32.800 33.201 -0.401 19749 8858 1 16 . 1 1 81 81 VAL H H 81 8.390 8.390 8.202 0.188 19749 8859 1 16 . 1 1 82 82 ARG N N 82 125.400 125.400 126.106 -0.706 19749 8860 1 16 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.572 -0.122 19749 8861 1 16 . 1 1 82 82 ARG C C 82 173.900 173.900 174.414 -0.514 19749 8862 1 16 . 1 1 82 82 ARG CA C 82 55.000 55.000 53.309 1.691 19749 8863 1 16 . 1 1 82 82 ARG CB C 82 32.300 32.300 32.135 0.165 19749 8864 1 16 . 1 1 82 82 ARG H H 82 8.170 8.170 8.284 -0.114 19749 8865 1 16 . 1 1 83 83 ARG N N 83 121.200 121.200 120.889 0.311 19749 8866 1 16 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.204 1.126 19749 8867 1 16 . 1 1 83 83 ARG C C 83 175.600 175.600 175.238 0.362 19749 8868 1 16 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.285 -0.784 19749 8869 1 16 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.564 1.936 19749 8870 1 16 . 1 1 83 83 ARG H H 83 8.060 8.060 8.232 -0.172 19749 8871 1 16 . 1 1 84 84 PHE N N 84 118.600 118.600 118.849 -0.249 19749 8872 1 16 . 1 1 84 84 PHE HA H 84 4.950 4.950 5.062 -0.112 19749 8873 1 16 . 1 1 84 84 PHE C C 84 175.200 175.200 176.462 -1.262 19749 8874 1 16 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.167 0.933 19749 8875 1 16 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.413 2.087 19749 8876 1 16 . 1 1 84 84 PHE H H 84 9.320 9.320 8.187 1.133 19749 8877 1 16 . 1 1 85 85 GLN N N 85 120.800 120.800 119.113 1.687 19749 8878 1 16 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.659 -0.609 19749 8879 1 16 . 1 1 85 85 GLN C C 85 176.000 176.000 176.041 -0.041 19749 8880 1 16 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.998 1.403 19749 8881 1 16 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.199 0.101 19749 8882 1 16 . 1 1 85 85 GLN H H 85 9.660 9.660 9.218 0.442 19749 8883 1 16 . 1 1 86 86 THR N N 86 103.000 103.000 112.473 -9.473 19749 8884 1 16 . 1 1 86 86 THR HA H 86 4.810 4.810 4.507 0.303 19749 8885 1 16 . 1 1 86 86 THR C C 86 174.500 174.500 174.016 0.484 19749 8886 1 16 . 1 1 86 86 THR CA C 86 58.700 58.700 59.911 -1.211 19749 8887 1 16 . 1 1 86 86 THR CB C 86 73.400 73.400 70.279 3.121 19749 8888 1 16 . 1 1 86 86 THR H H 86 7.260 7.260 7.554 -0.294 19749 8889 1 16 . 1 1 87 87 LEU N N 87 122.200 122.200 123.846 -1.646 19749 8890 1 16 . 1 1 87 87 LEU HA H 87 3.830 3.830 4.037 -0.207 19749 8891 1 16 . 1 1 87 87 LEU C C 87 178.600 178.600 178.167 0.433 19749 8892 1 16 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.434 -0.334 19749 8893 1 16 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.792 0.608 19749 8894 1 16 . 1 1 87 87 LEU H H 87 9.150 9.150 8.687 0.463 19749 8895 1 16 . 1 1 88 88 GLY N N 88 105.200 105.200 105.887 -0.687 19749 8896 1 16 . 1 1 88 88 GLY C C 88 176.900 176.900 175.626 1.274 19749 8897 1 16 . 1 1 88 88 GLY CA C 88 47.400 47.400 46.996 0.404 19749 8898 1 16 . 1 1 88 88 GLY H H 88 8.870 8.870 7.991 0.879 19749 8899 1 16 . 1 1 89 89 GLU N N 89 122.000 122.000 121.976 0.024 19749 8900 1 16 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.088 -0.159 19749 8901 1 16 . 1 1 89 89 GLU C C 89 177.600 177.600 177.872 -0.272 19749 8902 1 16 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.081 0.819 19749 8903 1 16 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.494 1.506 19749 8904 1 16 . 1 1 89 89 GLU H H 89 7.670 7.670 7.341 0.329 19749 8905 1 16 . 1 1 90 90 LEU N N 90 122.300 122.300 120.676 1.624 19749 8906 1 16 . 1 1 90 90 LEU HA H 90 2.430 2.430 1.998 0.432 19749 8907 1 16 . 1 1 90 90 LEU C C 90 177.200 177.200 178.094 -0.894 19749 8908 1 16 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.310 1.390 19749 8909 1 16 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.656 0.444 19749 8910 1 16 . 1 1 90 90 LEU H H 90 6.880 6.880 7.211 -0.331 19749 8911 1 16 . 1 1 91 91 ILE N N 91 118.800 118.800 116.711 2.089 19749 8912 1 16 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.476 -0.366 19749 8913 1 16 . 1 1 91 91 ILE C C 91 177.700 177.700 178.248 -0.548 19749 8914 1 16 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.777 -1.377 19749 8915 1 16 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.809 -0.409 19749 8916 1 16 . 1 1 91 91 ILE H H 91 7.880 7.880 7.668 0.212 19749 8917 1 16 . 1 1 92 92 GLY N N 92 103.900 103.900 108.812 -4.912 19749 8918 1 16 . 1 1 92 92 GLY C C 92 176.400 176.400 176.288 0.112 19749 8919 1 16 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.121 -0.321 19749 8920 1 16 . 1 1 92 92 GLY H H 92 7.570 7.570 7.608 -0.038 19749 8921 1 16 . 1 1 93 93 LEU N N 93 123.200 123.200 121.002 2.198 19749 8922 1 16 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.332 -0.252 19749 8923 1 16 . 1 1 93 93 LEU C C 93 179.100 179.100 179.186 -0.086 19749 8924 1 16 . 1 1 93 93 LEU CA C 93 57.400 57.400 56.917 0.483 19749 8925 1 16 . 1 1 93 93 LEU CB C 93 40.800 40.800 41.962 -1.162 19749 8926 1 16 . 1 1 93 93 LEU H H 93 7.360 7.360 7.621 -0.261 19749 8927 1 16 . 1 1 94 94 TYR N N 94 114.000 114.000 117.236 -3.236 19749 8928 1 16 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.404 -0.174 19749 8929 1 16 . 1 1 94 94 TYR C C 94 175.600 175.600 176.694 -1.094 19749 8930 1 16 . 1 1 94 94 TYR CA C 94 60.200 60.200 57.951 2.249 19749 8931 1 16 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.715 -0.115 19749 8932 1 16 . 1 1 94 94 TYR H H 94 7.380 7.380 8.072 -0.692 19749 8933 1 16 . 1 1 95 95 ALA N N 95 123.100 123.100 120.942 2.158 19749 8934 1 16 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.043 0.317 19749 8935 1 16 . 1 1 95 95 ALA C C 95 177.300 177.300 177.399 -0.099 19749 8936 1 16 . 1 1 95 95 ALA CA C 95 53.900 53.900 52.380 1.520 19749 8937 1 16 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.332 0.668 19749 8938 1 16 . 1 1 95 95 ALA H H 95 7.330 7.330 7.274 0.056 19749 8939 1 16 . 1 1 96 96 GLN N N 96 116.500 116.500 119.723 -3.223 19749 8940 1 16 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.480 0.060 19749 8941 1 16 . 1 1 96 96 GLN CA C 96 53.000 53.000 53.377 -0.377 19749 8942 1 16 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.696 -0.096 19749 8943 1 16 . 1 1 96 96 GLN H H 96 7.620 7.620 7.204 0.416 19749 8944 1 16 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.222 0.018 19749 8945 1 16 . 1 1 97 97 PRO C C 97 176.800 176.800 177.038 -0.238 19749 8946 1 16 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.043 0.757 19749 8947 1 16 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.522 0.278 19749 8948 1 16 . 1 1 98 98 ASN N N 98 114.900 114.900 118.383 -3.483 19749 8949 1 16 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.263 0.217 19749 8950 1 16 . 1 1 98 98 ASN C C 98 175.100 175.100 173.929 1.171 19749 8951 1 16 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.212 0.088 19749 8952 1 16 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.513 -0.612 19749 8953 1 16 . 1 1 98 98 ASN H H 98 8.960 8.960 8.727 0.233 19749 8954 1 16 . 1 1 99 99 GLN N N 99 115.400 115.400 118.951 -3.551 19749 8955 1 16 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.288 0.212 19749 8956 1 16 . 1 1 99 99 GLN C C 99 176.100 176.100 174.481 1.619 19749 8957 1 16 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.744 -1.444 19749 8958 1 16 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.522 0.078 19749 8959 1 16 . 1 1 99 99 GLN H H 99 8.610 8.610 8.441 0.169 19749 8960 1 16 . 1 1 100 100 GLY N N 100 107.400 107.400 107.276 0.124 19749 8961 1 16 . 1 1 100 100 GLY C C 100 174.600 174.600 173.896 0.704 19749 8962 1 16 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.181 0.219 19749 8963 1 16 . 1 1 100 100 GLY H H 100 8.460 8.460 7.933 0.527 19749 8964 1 16 . 1 1 101 101 LEU N N 101 118.400 118.400 122.061 -3.661 19749 8965 1 16 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.347 0.033 19749 8966 1 16 . 1 1 101 101 LEU C C 101 178.000 178.000 178.322 -0.322 19749 8967 1 16 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.820 -1.920 19749 8968 1 16 . 1 1 101 101 LEU CB C 101 42.400 42.400 40.776 1.624 19749 8969 1 16 . 1 1 101 101 LEU H H 101 8.020 8.020 7.615 0.405 19749 8970 1 16 . 1 1 102 102 VAL N N 102 114.700 114.700 125.574 -10.874 19749 8971 1 16 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.818 -0.228 19749 8972 1 16 . 1 1 102 102 VAL C C 102 173.600 173.600 175.920 -2.320 19749 8973 1 16 . 1 1 102 102 VAL CA C 102 63.600 63.600 65.200 -1.600 19749 8974 1 16 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.565 -1.464 19749 8975 1 16 . 1 1 102 102 VAL H H 102 7.260 7.260 8.812 -1.552 19749 8976 1 16 . 1 1 103 103 CYS N N 103 112.400 112.400 112.907 -0.507 19749 8977 1 16 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.228 0.012 19749 8978 1 16 . 1 1 103 103 CYS C C 103 170.600 170.600 173.651 -3.051 19749 8979 1 16 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.237 -1.137 19749 8980 1 16 . 1 1 103 103 CYS CB C 103 29.600 29.600 27.835 1.765 19749 8981 1 16 . 1 1 103 103 CYS H H 103 6.920 6.920 7.719 -0.799 19749 8982 1 16 . 1 1 104 104 ALA N N 104 119.600 119.600 121.124 -1.524 19749 8983 1 16 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.828 0.382 19749 8984 1 16 . 1 1 104 104 ALA C C 104 176.300 176.300 176.052 0.248 19749 8985 1 16 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.850 -1.250 19749 8986 1 16 . 1 1 104 104 ALA CB C 104 19.400 19.400 17.986 1.414 19749 8987 1 16 . 1 1 104 104 ALA H H 104 7.840 7.840 7.523 0.317 19749 8988 1 16 . 1 1 105 105 LEU N N 105 117.100 117.100 120.777 -3.677 19749 8989 1 16 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.965 -0.185 19749 8990 1 16 . 1 1 105 105 LEU C C 105 175.400 175.400 176.557 -1.157 19749 8991 1 16 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.515 -0.915 19749 8992 1 16 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.410 -2.010 19749 8993 1 16 . 1 1 105 105 LEU H H 105 7.610 7.610 8.039 -0.429 19749 8994 1 16 . 1 1 106 106 LEU N N 106 124.700 124.700 125.903 -1.203 19749 8995 1 16 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.343 0.257 19749 8996 1 16 . 1 1 106 106 LEU C C 106 177.600 177.600 177.656 -0.056 19749 8997 1 16 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.133 0.167 19749 8998 1 16 . 1 1 106 106 LEU CB C 106 46.000 46.000 42.749 3.251 19749 8999 1 16 . 1 1 106 106 LEU H H 106 8.160 8.160 8.166 -0.006 19749 9000 1 16 . 1 1 107 107 LEU N N 107 121.400 121.400 119.318 2.082 19749 9001 1 16 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.925 0.185 19749 9002 1 16 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.597 -0.897 19749 9003 1 16 . 1 1 107 107 LEU CB C 107 44.600 44.600 42.129 2.471 19749 9004 1 16 . 1 1 107 107 LEU H H 107 7.930 7.930 7.843 0.087 19749 9005 1 16 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.819 -0.389 19749 9006 1 16 . 1 1 108 108 PRO C C 108 176.500 176.500 177.107 -0.607 19749 9007 1 16 . 1 1 108 108 PRO CA C 108 62.400 62.400 62.955 -0.555 19749 9008 1 16 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.206 0.594 19749 9009 1 17 . 1 1 10 10 HIS C C 10 175.000 175.000 174.585 0.415 19749 9010 1 17 . 1 1 10 10 HIS CA C 10 55.900 55.900 56.234 -0.334 19749 9011 1 17 . 1 1 10 10 HIS CB C 10 29.900 29.900 28.087 1.813 19749 9012 1 17 . 1 1 11 11 MET N N 11 120.400 120.400 120.919 -0.519 19749 9013 1 17 . 1 1 11 11 MET HA H 11 4.000 4.000 4.294 -0.294 19749 9014 1 17 . 1 1 11 11 MET C C 11 177.500 177.500 175.198 2.302 19749 9015 1 17 . 1 1 11 11 MET CA C 11 54.100 54.100 56.198 -2.098 19749 9016 1 17 . 1 1 11 11 MET CB C 11 31.500 31.500 31.243 0.257 19749 9017 1 17 . 1 1 11 11 MET H H 11 7.800 7.800 8.297 -0.497 19749 9018 1 17 . 1 1 12 12 SER N N 12 118.600 118.600 119.031 -0.431 19749 9019 1 17 . 1 1 12 12 SER HA H 12 3.860 3.860 4.370 -0.510 19749 9020 1 17 . 1 1 12 12 SER C C 12 173.900 173.900 173.038 0.862 19749 9021 1 17 . 1 1 12 12 SER CA C 12 61.200 61.200 57.039 4.160 19749 9022 1 17 . 1 1 12 12 SER CB C 12 62.500 62.500 63.642 -1.142 19749 9023 1 17 . 1 1 12 12 SER H H 12 8.520 8.520 8.095 0.425 19749 9024 1 17 . 1 1 13 13 TRP N N 13 113.400 113.400 118.757 -5.357 19749 9025 1 17 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.746 0.144 19749 9026 1 17 . 1 1 13 13 TRP C C 13 176.000 176.000 175.218 0.782 19749 9027 1 17 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.083 -2.283 19749 9028 1 17 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.910 0.191 19749 9029 1 17 . 1 1 13 13 TRP H H 13 6.180 6.180 7.500 -1.320 19749 9030 1 17 . 1 1 14 14 TYR N N 14 123.200 123.200 124.519 -1.319 19749 9031 1 17 . 1 1 14 14 TYR HA H 14 5.570 5.570 4.847 0.723 19749 9032 1 17 . 1 1 14 14 TYR C C 14 174.700 174.700 174.854 -0.154 19749 9033 1 17 . 1 1 14 14 TYR CA C 14 56.000 56.000 58.491 -2.491 19749 9034 1 17 . 1 1 14 14 TYR CB C 14 37.900 37.900 37.713 0.187 19749 9035 1 17 . 1 1 14 14 TYR H H 14 7.430 7.430 7.009 0.421 19749 9036 1 17 . 1 1 15 15 HIS N N 15 126.900 126.900 126.803 0.097 19749 9037 1 17 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.755 -0.205 19749 9038 1 17 . 1 1 15 15 HIS C C 15 173.300 173.300 174.871 -1.571 19749 9039 1 17 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.894 -1.794 19749 9040 1 17 . 1 1 15 15 HIS CB C 15 30.400 30.400 32.377 -1.977 19749 9041 1 17 . 1 1 15 15 HIS H H 15 8.680 8.680 8.044 0.636 19749 9042 1 17 . 1 1 16 16 ARG N N 16 122.500 122.500 125.601 -3.101 19749 9043 1 17 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.880 0.070 19749 9044 1 17 . 1 1 16 16 ARG C C 16 176.100 176.100 176.410 -0.310 19749 9045 1 17 . 1 1 16 16 ARG CA C 16 57.300 57.300 59.438 -2.139 19749 9046 1 17 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.291 -0.191 19749 9047 1 17 . 1 1 16 16 ARG H H 16 7.740 7.740 8.680 -0.940 19749 9048 1 17 . 1 1 17 17 ASP N N 17 119.100 119.100 118.951 0.149 19749 9049 1 17 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.601 -0.081 19749 9050 1 17 . 1 1 17 17 ASP C C 17 174.900 174.900 175.960 -1.060 19749 9051 1 17 . 1 1 17 17 ASP CA C 17 54.800 54.800 54.834 -0.034 19749 9052 1 17 . 1 1 17 17 ASP CB C 17 39.900 39.900 39.608 0.292 19749 9053 1 17 . 1 1 17 17 ASP H H 17 8.900 8.900 8.599 0.301 19749 9054 1 17 . 1 1 18 18 LEU N N 18 121.000 121.000 121.232 -0.232 19749 9055 1 17 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.327 0.183 19749 9056 1 17 . 1 1 18 18 LEU C C 18 176.300 176.300 175.939 0.361 19749 9057 1 17 . 1 1 18 18 LEU CA C 18 54.500 54.500 55.400 -0.900 19749 9058 1 17 . 1 1 18 18 LEU CB C 18 44.800 44.800 43.328 1.472 19749 9059 1 17 . 1 1 18 18 LEU H H 18 7.280 7.280 7.701 -0.421 19749 9060 1 17 . 1 1 19 19 SER N N 19 123.400 123.400 108.931 14.469 19749 9061 1 17 . 1 1 19 19 SER HA H 19 4.440 4.440 4.237 0.203 19749 9062 1 17 . 1 1 19 19 SER C C 19 173.900 173.900 174.649 -0.749 19749 9063 1 17 . 1 1 19 19 SER CA C 19 57.700 57.700 58.846 -1.146 19749 9064 1 17 . 1 1 19 19 SER CB C 19 65.200 65.200 62.782 2.418 19749 9065 1 17 . 1 1 19 19 SER H H 19 8.650 8.650 7.946 0.704 19749 9066 1 17 . 1 1 20 20 ARG N N 20 121.700 121.700 125.489 -3.789 19749 9067 1 17 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.908 -0.198 19749 9068 1 17 . 1 1 20 20 ARG C C 20 178.200 178.200 177.849 0.351 19749 9069 1 17 . 1 1 20 20 ARG CA C 20 60.600 60.600 60.137 0.463 19749 9070 1 17 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.677 -0.577 19749 9071 1 17 . 1 1 20 20 ARG H H 20 8.970 8.970 9.045 -0.075 19749 9072 1 17 . 1 1 21 21 ALA N N 21 119.900 119.900 120.843 -0.943 19749 9073 1 17 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.037 0.003 19749 9074 1 17 . 1 1 21 21 ALA C C 21 180.600 180.600 179.546 1.054 19749 9075 1 17 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.974 0.226 19749 9076 1 17 . 1 1 21 21 ALA CB C 21 18.300 18.300 17.845 0.455 19749 9077 1 17 . 1 1 21 21 ALA H H 21 8.670 8.670 8.448 0.222 19749 9078 1 17 . 1 1 22 22 ALA N N 22 121.000 121.000 120.358 0.642 19749 9079 1 17 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.078 0.052 19749 9080 1 17 . 1 1 22 22 ALA C C 22 180.900 180.900 179.474 1.426 19749 9081 1 17 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.286 0.414 19749 9082 1 17 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.170 0.830 19749 9083 1 17 . 1 1 22 22 ALA H H 22 7.890 7.890 8.069 -0.179 19749 9084 1 17 . 1 1 23 23 ALA N N 23 121.700 121.700 122.752 -1.052 19749 9085 1 17 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.924 -0.044 19749 9086 1 17 . 1 1 23 23 ALA C C 23 178.700 178.700 179.393 -0.693 19749 9087 1 17 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.326 -0.226 19749 9088 1 17 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.534 0.666 19749 9089 1 17 . 1 1 23 23 ALA H H 23 8.570 8.570 8.028 0.541 19749 9090 1 17 . 1 1 24 24 GLU N N 24 116.500 116.500 117.412 -0.912 19749 9091 1 17 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.897 -0.137 19749 9092 1 17 . 1 1 24 24 GLU C C 24 178.900 178.900 178.646 0.254 19749 9093 1 17 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.038 1.462 19749 9094 1 17 . 1 1 24 24 GLU CB C 24 28.500 28.500 28.941 -0.441 19749 9095 1 17 . 1 1 24 24 GLU H H 24 8.200 8.200 8.338 -0.138 19749 9096 1 17 . 1 1 25 25 GLU N N 25 120.000 120.000 120.805 -0.805 19749 9097 1 17 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.129 -0.069 19749 9098 1 17 . 1 1 25 25 GLU C C 25 178.400 178.400 178.927 -0.527 19749 9099 1 17 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.611 0.789 19749 9100 1 17 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.487 0.013 19749 9101 1 17 . 1 1 25 25 GLU H H 25 7.690 7.690 7.515 0.175 19749 9102 1 17 . 1 1 26 26 LEU N N 26 120.200 120.200 119.575 0.625 19749 9103 1 17 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.002 -0.092 19749 9104 1 17 . 1 1 26 26 LEU C C 26 180.200 180.200 179.599 0.601 19749 9105 1 17 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.657 0.543 19749 9106 1 17 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.820 0.580 19749 9107 1 17 . 1 1 26 26 LEU H H 26 7.840 7.840 8.083 -0.243 19749 9108 1 17 . 1 1 27 27 LEU N N 27 117.800 117.800 118.895 -1.095 19749 9109 1 17 . 1 1 27 27 LEU HA H 27 3.980 3.980 4.083 -0.103 19749 9110 1 17 . 1 1 27 27 LEU C C 27 177.800 177.800 178.907 -1.107 19749 9111 1 17 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.418 0.182 19749 9112 1 17 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.692 0.208 19749 9113 1 17 . 1 1 27 27 LEU H H 27 7.960 7.960 7.629 0.331 19749 9114 1 17 . 1 1 28 28 ALA N N 28 120.600 120.600 119.300 1.300 19749 9115 1 17 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.041 -0.141 19749 9116 1 17 . 1 1 28 28 ALA C C 28 180.900 180.900 179.130 1.770 19749 9117 1 17 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.419 0.781 19749 9118 1 17 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.764 -0.864 19749 9119 1 17 . 1 1 28 28 ALA H H 28 8.160 8.160 7.820 0.340 19749 9120 1 17 . 1 1 29 29 ARG N N 29 116.200 116.200 116.982 -0.782 19749 9121 1 17 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.374 -0.414 19749 9122 1 17 . 1 1 29 29 ARG C C 29 178.000 178.000 177.487 0.513 19749 9123 1 17 . 1 1 29 29 ARG CA C 29 58.600 58.600 57.709 0.891 19749 9124 1 17 . 1 1 29 29 ARG CB C 29 30.300 30.300 31.003 -0.703 19749 9125 1 17 . 1 1 29 29 ARG H H 29 7.760 7.760 7.853 -0.093 19749 9126 1 17 . 1 1 30 30 ALA N N 30 123.200 123.200 120.562 2.638 19749 9127 1 17 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.351 -0.151 19749 9128 1 17 . 1 1 30 30 ALA C C 30 182.000 182.000 178.307 3.693 19749 9129 1 17 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.395 1.506 19749 9130 1 17 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.691 -0.991 19749 9131 1 17 . 1 1 30 30 ALA H H 30 7.580 7.580 7.706 -0.126 19749 9132 1 17 . 1 1 31 31 GLY N N 31 102.400 102.400 106.070 -3.670 19749 9133 1 17 . 1 1 31 31 GLY C C 31 174.800 174.800 173.275 1.525 19749 9134 1 17 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.149 3.951 19749 9135 1 17 . 1 1 31 31 GLY H H 31 7.690 7.690 7.686 0.004 19749 9136 1 17 . 1 1 32 32 ARG N N 32 121.100 121.100 124.454 -3.354 19749 9137 1 17 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.107 0.353 19749 9138 1 17 . 1 1 32 32 ARG C C 32 176.500 176.500 175.327 1.173 19749 9139 1 17 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.835 -2.435 19749 9140 1 17 . 1 1 32 32 ARG CB C 32 32.600 32.600 30.801 1.799 19749 9141 1 17 . 1 1 32 32 ARG H H 32 7.040 7.040 8.565 -1.524 19749 9142 1 17 . 1 1 33 33 ASP N N 33 126.100 126.100 118.011 8.089 19749 9143 1 17 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.684 0.086 19749 9144 1 17 . 1 1 33 33 ASP C C 33 176.800 176.800 177.541 -0.741 19749 9145 1 17 . 1 1 33 33 ASP CA C 33 56.000 56.000 55.916 0.084 19749 9146 1 17 . 1 1 33 33 ASP CB C 33 41.000 41.000 40.992 0.008 19749 9147 1 17 . 1 1 33 33 ASP H H 33 9.110 9.110 8.302 0.808 19749 9148 1 17 . 1 1 34 34 GLY N N 34 109.400 109.400 110.624 -1.224 19749 9149 1 17 . 1 1 34 34 GLY C C 34 175.800 175.800 174.649 1.151 19749 9150 1 17 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.572 0.428 19749 9151 1 17 . 1 1 34 34 GLY H H 34 9.440 9.440 8.620 0.820 19749 9152 1 17 . 1 1 35 35 SER N N 35 120.400 120.400 115.670 4.730 19749 9153 1 17 . 1 1 35 35 SER HA H 35 5.990 5.990 5.356 0.634 19749 9154 1 17 . 1 1 35 35 SER C C 35 173.400 173.400 173.800 -0.400 19749 9155 1 17 . 1 1 35 35 SER CA C 35 59.800 59.800 57.623 2.177 19749 9156 1 17 . 1 1 35 35 SER CB C 35 63.700 63.700 64.674 -0.974 19749 9157 1 17 . 1 1 35 35 SER H H 35 8.050 8.050 7.513 0.537 19749 9158 1 17 . 1 1 36 36 PHE N N 36 122.000 122.000 118.473 3.527 19749 9159 1 17 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.879 0.161 19749 9160 1 17 . 1 1 36 36 PHE C C 36 170.900 170.900 172.997 -2.097 19749 9161 1 17 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.803 0.497 19749 9162 1 17 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.539 1.861 19749 9163 1 17 . 1 1 36 36 PHE H H 36 8.730 8.730 7.819 0.911 19749 9164 1 17 . 1 1 37 37 LEU N N 37 112.500 112.500 115.344 -2.844 19749 9165 1 17 . 1 1 37 37 LEU HA H 37 5.050 5.050 4.839 0.211 19749 9166 1 17 . 1 1 37 37 LEU C C 37 175.100 175.100 174.699 0.401 19749 9167 1 17 . 1 1 37 37 LEU CA C 37 54.500 54.500 53.909 0.591 19749 9168 1 17 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.476 -0.276 19749 9169 1 17 . 1 1 37 37 LEU H H 37 9.000 9.000 8.411 0.589 19749 9170 1 17 . 1 1 38 38 VAL N N 38 120.200 120.200 120.815 -0.615 19749 9171 1 17 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.387 0.093 19749 9172 1 17 . 1 1 38 38 VAL C C 38 173.600 173.600 176.046 -2.446 19749 9173 1 17 . 1 1 38 38 VAL CA C 38 61.200 61.200 61.452 -0.252 19749 9174 1 17 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.240 0.960 19749 9175 1 17 . 1 1 38 38 VAL H H 38 9.830 9.830 9.130 0.700 19749 9176 1 17 . 1 1 39 39 ARG N N 39 124.000 124.000 124.905 -0.905 19749 9177 1 17 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.532 -0.012 19749 9178 1 17 . 1 1 39 39 ARG C C 39 174.700 174.700 174.907 -0.207 19749 9179 1 17 . 1 1 39 39 ARG CA C 39 52.800 52.800 52.989 -0.189 19749 9180 1 17 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.522 0.678 19749 9181 1 17 . 1 1 39 39 ARG H H 39 9.240 9.240 9.265 -0.025 19749 9182 1 17 . 1 1 40 40 ASP N N 40 122.800 122.800 120.716 2.084 19749 9183 1 17 . 1 1 40 40 ASP HA H 40 4.950 4.950 4.783 0.167 19749 9184 1 17 . 1 1 40 40 ASP C C 40 176.500 176.500 176.543 -0.043 19749 9185 1 17 . 1 1 40 40 ASP CA C 40 55.900 55.900 54.018 1.882 19749 9186 1 17 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.653 -1.753 19749 9187 1 17 . 1 1 40 40 ASP H H 40 9.060 9.060 7.929 1.131 19749 9188 1 17 . 1 1 41 41 SER N N 41 113.600 113.600 120.613 -7.013 19749 9189 1 17 . 1 1 41 41 SER HA H 41 4.200 4.200 4.277 -0.077 19749 9190 1 17 . 1 1 41 41 SER C C 41 175.700 175.700 174.711 0.989 19749 9191 1 17 . 1 1 41 41 SER CA C 41 58.400 58.400 58.257 0.143 19749 9192 1 17 . 1 1 41 41 SER CB C 41 63.900 63.900 63.952 -0.052 19749 9193 1 17 . 1 1 41 41 SER H H 41 7.870 7.870 8.126 -0.256 19749 9194 1 17 . 1 1 42 42 GLU N N 42 127.200 127.200 123.387 3.813 19749 9195 1 17 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.181 0.209 19749 9196 1 17 . 1 1 42 42 GLU C C 42 176.500 176.500 176.072 0.428 19749 9197 1 17 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.859 0.841 19749 9198 1 17 . 1 1 42 42 GLU CB C 42 29.500 29.500 28.058 1.442 19749 9199 1 17 . 1 1 42 42 GLU H H 42 9.600 9.600 8.727 0.873 19749 9200 1 17 . 1 1 43 43 SER N N 43 113.400 113.400 116.036 -2.636 19749 9201 1 17 . 1 1 43 43 SER HA H 43 4.590 4.590 4.106 0.484 19749 9202 1 17 . 1 1 43 43 SER C C 43 174.000 174.000 174.545 -0.545 19749 9203 1 17 . 1 1 43 43 SER CA C 43 59.400 59.400 59.761 -0.361 19749 9204 1 17 . 1 1 43 43 SER CB C 43 65.100 65.100 61.391 3.709 19749 9205 1 17 . 1 1 43 43 SER H H 43 8.110 8.110 8.550 -0.440 19749 9206 1 17 . 1 1 44 44 VAL N N 44 123.200 123.200 118.899 4.301 19749 9207 1 17 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.861 0.279 19749 9208 1 17 . 1 1 44 44 VAL C C 44 174.800 174.800 176.883 -2.083 19749 9209 1 17 . 1 1 44 44 VAL CA C 44 61.700 61.700 65.055 -3.355 19749 9210 1 17 . 1 1 44 44 VAL CB C 44 33.700 33.700 32.266 1.434 19749 9211 1 17 . 1 1 44 44 VAL H H 44 7.620 7.620 7.812 -0.192 19749 9212 1 17 . 1 1 45 45 ALA N N 45 130.900 130.900 118.889 12.011 19749 9213 1 17 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.438 -0.288 19749 9214 1 17 . 1 1 45 45 ALA C C 45 178.700 178.700 176.779 1.921 19749 9215 1 17 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.356 1.344 19749 9216 1 17 . 1 1 45 45 ALA CB C 45 18.100 18.100 19.362 -1.262 19749 9217 1 17 . 1 1 45 45 ALA H H 45 8.480 8.480 8.270 0.210 19749 9218 1 17 . 1 1 46 46 GLY N N 46 111.400 111.400 106.619 4.781 19749 9219 1 17 . 1 1 46 46 GLY C C 46 171.700 171.700 173.854 -2.154 19749 9220 1 17 . 1 1 46 46 GLY CA C 46 45.400 45.400 45.121 0.279 19749 9221 1 17 . 1 1 46 46 GLY H H 46 8.600 8.600 8.462 0.138 19749 9222 1 17 . 1 1 47 47 ALA N N 47 117.600 117.600 120.635 -3.035 19749 9223 1 17 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.469 0.411 19749 9224 1 17 . 1 1 47 47 ALA C C 47 177.200 177.200 175.811 1.389 19749 9225 1 17 . 1 1 47 47 ALA CA C 47 49.800 49.800 51.089 -1.289 19749 9226 1 17 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.322 0.378 19749 9227 1 17 . 1 1 47 47 ALA H H 47 7.340 7.340 7.271 0.069 19749 9228 1 17 . 1 1 48 48 PHE N N 48 117.100 117.100 116.979 0.121 19749 9229 1 17 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.069 0.301 19749 9230 1 17 . 1 1 48 48 PHE C C 48 174.100 174.100 174.133 -0.033 19749 9231 1 17 . 1 1 48 48 PHE CA C 48 56.500 56.500 57.030 -0.530 19749 9232 1 17 . 1 1 48 48 PHE CB C 48 43.900 43.900 44.072 -0.172 19749 9233 1 17 . 1 1 48 48 PHE H H 48 9.160 9.160 8.563 0.597 19749 9234 1 17 . 1 1 49 49 ALA N N 49 125.600 125.600 121.476 4.124 19749 9235 1 17 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.450 -0.260 19749 9236 1 17 . 1 1 49 49 ALA C C 49 174.900 174.900 175.150 -0.250 19749 9237 1 17 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.190 1.010 19749 9238 1 17 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.845 -2.445 19749 9239 1 17 . 1 1 49 49 ALA H H 49 9.630 9.630 9.148 0.482 19749 9240 1 17 . 1 1 50 50 LEU N N 50 127.100 127.100 123.203 3.897 19749 9241 1 17 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.569 -0.499 19749 9242 1 17 . 1 1 50 50 LEU C C 50 174.500 174.500 175.059 -0.559 19749 9243 1 17 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.883 0.117 19749 9244 1 17 . 1 1 50 50 LEU CB C 50 43.900 43.900 46.363 -2.463 19749 9245 1 17 . 1 1 50 50 LEU H H 50 9.350 9.350 8.441 0.909 19749 9246 1 17 . 1 1 51 51 CYS N N 51 127.300 127.300 127.670 -0.370 19749 9247 1 17 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.305 0.105 19749 9248 1 17 . 1 1 51 51 CYS C C 51 173.000 173.000 173.356 -0.356 19749 9249 1 17 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.534 -0.334 19749 9250 1 17 . 1 1 51 51 CYS CB C 51 30.400 30.400 29.135 1.265 19749 9251 1 17 . 1 1 51 51 CYS H H 51 9.300 9.300 9.077 0.223 19749 9252 1 17 . 1 1 52 52 VAL N N 52 123.100 123.100 125.654 -2.554 19749 9253 1 17 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.357 -0.197 19749 9254 1 17 . 1 1 52 52 VAL C C 52 173.800 173.800 174.422 -0.622 19749 9255 1 17 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.656 -0.756 19749 9256 1 17 . 1 1 52 52 VAL CB C 52 36.300 36.300 35.046 1.254 19749 9257 1 17 . 1 1 52 52 VAL H H 52 9.460 9.460 8.724 0.736 19749 9258 1 17 . 1 1 53 53 LEU N N 53 130.700 130.700 129.519 1.181 19749 9259 1 17 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.055 -0.075 19749 9260 1 17 . 1 1 53 53 LEU C C 53 175.200 175.200 174.427 0.773 19749 9261 1 17 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.367 0.633 19749 9262 1 17 . 1 1 53 53 LEU CB C 53 45.300 45.300 44.159 1.141 19749 9263 1 17 . 1 1 53 53 LEU H H 53 9.320 9.320 8.279 1.041 19749 9264 1 17 . 1 1 54 54 TYR N N 54 125.700 125.700 125.008 0.692 19749 9265 1 17 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.828 0.082 19749 9266 1 17 . 1 1 54 54 TYR C C 54 175.400 175.400 174.380 1.020 19749 9267 1 17 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.880 0.820 19749 9268 1 17 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.912 0.788 19749 9269 1 17 . 1 1 54 54 TYR H H 54 9.260 9.260 8.423 0.837 19749 9270 1 17 . 1 1 55 55 GLN N N 55 129.900 129.900 125.966 3.934 19749 9271 1 17 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.794 -0.094 19749 9272 1 17 . 1 1 55 55 GLN C C 55 175.900 175.900 175.660 0.240 19749 9273 1 17 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.661 0.039 19749 9274 1 17 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.174 -0.574 19749 9275 1 17 . 1 1 55 55 GLN H H 55 9.750 9.750 8.964 0.786 19749 9276 1 17 . 1 1 56 56 LYS N N 56 107.600 107.600 116.820 -9.220 19749 9277 1 17 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.967 -0.527 19749 9278 1 17 . 1 1 56 56 LYS C C 56 174.800 174.800 174.473 0.327 19749 9279 1 17 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.348 1.052 19749 9280 1 17 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.598 -1.798 19749 9281 1 17 . 1 1 56 56 LYS H H 56 8.920 8.920 8.665 0.255 19749 9282 1 17 . 1 1 57 57 HIS N N 57 118.200 118.200 116.526 1.674 19749 9283 1 17 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.803 0.097 19749 9284 1 17 . 1 1 57 57 HIS C C 57 173.400 173.400 173.571 -0.171 19749 9285 1 17 . 1 1 57 57 HIS CA C 57 54.300 54.300 55.139 -0.839 19749 9286 1 17 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.736 0.164 19749 9287 1 17 . 1 1 57 57 HIS H H 57 7.980 7.980 7.349 0.631 19749 9288 1 17 . 1 1 58 58 VAL N N 58 124.500 124.500 129.873 -5.373 19749 9289 1 17 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.524 -0.184 19749 9290 1 17 . 1 1 58 58 VAL C C 58 175.700 175.700 175.086 0.614 19749 9291 1 17 . 1 1 58 58 VAL CA C 58 63.100 63.100 62.279 0.821 19749 9292 1 17 . 1 1 58 58 VAL CB C 58 32.000 32.000 31.676 0.324 19749 9293 1 17 . 1 1 58 58 VAL H H 58 8.800 8.800 8.380 0.420 19749 9294 1 17 . 1 1 59 59 HIS N N 59 132.200 132.200 129.893 2.307 19749 9295 1 17 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.693 -0.173 19749 9296 1 17 . 1 1 59 59 HIS C C 59 174.100 174.100 173.828 0.272 19749 9297 1 17 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.379 1.321 19749 9298 1 17 . 1 1 59 59 HIS CB C 59 32.200 32.200 32.339 -0.139 19749 9299 1 17 . 1 1 59 59 HIS H H 59 9.830 9.830 8.806 1.024 19749 9300 1 17 . 1 1 60 60 THR N N 60 119.300 119.300 119.161 0.139 19749 9301 1 17 . 1 1 60 60 THR HA H 60 5.280 5.280 5.211 0.069 19749 9302 1 17 . 1 1 60 60 THR C C 60 173.700 173.700 173.883 -0.183 19749 9303 1 17 . 1 1 60 60 THR CA C 60 62.100 62.100 60.253 1.847 19749 9304 1 17 . 1 1 60 60 THR CB C 60 70.300 70.300 69.852 0.448 19749 9305 1 17 . 1 1 60 60 THR H H 60 8.420 8.420 8.149 0.271 19749 9306 1 17 . 1 1 61 61 TYR N N 61 127.000 127.000 125.624 1.376 19749 9307 1 17 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.897 -0.097 19749 9308 1 17 . 1 1 61 61 TYR C C 61 175.000 175.000 175.543 -0.543 19749 9309 1 17 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.920 -0.421 19749 9310 1 17 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.071 1.829 19749 9311 1 17 . 1 1 61 61 TYR H H 61 9.810 9.810 9.150 0.660 19749 9312 1 17 . 1 1 62 62 ARG N N 62 124.200 124.200 125.532 -1.332 19749 9313 1 17 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.633 0.077 19749 9314 1 17 . 1 1 62 62 ARG C C 62 175.000 175.000 175.563 -0.563 19749 9315 1 17 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.754 1.146 19749 9316 1 17 . 1 1 62 62 ARG CB C 62 31.500 31.500 29.291 2.209 19749 9317 1 17 . 1 1 62 62 ARG H H 62 9.240 9.240 8.762 0.478 19749 9318 1 17 . 1 1 63 63 ILE N N 63 124.100 124.100 125.467 -1.367 19749 9319 1 17 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.090 0.670 19749 9320 1 17 . 1 1 63 63 ILE C C 63 174.900 174.900 175.151 -0.251 19749 9321 1 17 . 1 1 63 63 ILE CA C 63 60.500 60.500 61.906 -1.406 19749 9322 1 17 . 1 1 63 63 ILE CB C 63 39.600 39.600 38.492 1.108 19749 9323 1 17 . 1 1 63 63 ILE H H 63 8.810 8.810 8.004 0.806 19749 9324 1 17 . 1 1 64 64 LEU N N 64 126.200 126.200 129.680 -3.480 19749 9325 1 17 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.874 0.326 19749 9326 1 17 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.791 -1.192 19749 9327 1 17 . 1 1 64 64 LEU CB C 64 44.200 44.200 41.987 2.213 19749 9328 1 17 . 1 1 64 64 LEU H H 64 8.660 8.660 8.225 0.435 19749 9329 1 17 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.802 0.428 19749 9330 1 17 . 1 1 65 65 PRO C C 65 177.000 177.000 176.523 0.477 19749 9331 1 17 . 1 1 65 65 PRO CA C 65 62.500 62.500 62.590 -0.090 19749 9332 1 17 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.733 -0.433 19749 9333 1 17 . 1 1 66 66 ASP N N 66 124.500 124.500 115.975 8.525 19749 9334 1 17 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.706 0.194 19749 9335 1 17 . 1 1 66 66 ASP C C 66 177.200 177.200 178.195 -0.995 19749 9336 1 17 . 1 1 66 66 ASP CA C 66 52.600 52.600 54.042 -1.442 19749 9337 1 17 . 1 1 66 66 ASP CB C 66 43.000 43.000 43.541 -0.541 19749 9338 1 17 . 1 1 66 66 ASP H H 66 8.650 8.650 8.117 0.533 19749 9339 1 17 . 1 1 67 67 GLY N N 67 108.300 108.300 110.872 -2.572 19749 9340 1 17 . 1 1 67 67 GLY C C 67 174.700 174.700 175.192 -0.492 19749 9341 1 17 . 1 1 67 67 GLY CA C 67 45.900 45.900 46.800 -0.900 19749 9342 1 17 . 1 1 67 67 GLY H H 67 8.420 8.420 8.760 -0.340 19749 9343 1 17 . 1 1 68 68 GLU N N 68 120.300 120.300 120.375 -0.075 19749 9344 1 17 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.598 -0.258 19749 9345 1 17 . 1 1 68 68 GLU C C 68 176.100 176.100 175.477 0.623 19749 9346 1 17 . 1 1 68 68 GLU CA C 68 56.800 56.800 55.011 1.789 19749 9347 1 17 . 1 1 68 68 GLU CB C 68 30.300 30.300 29.785 0.515 19749 9348 1 17 . 1 1 68 68 GLU H H 68 8.580 8.580 8.020 0.560 19749 9349 1 17 . 1 1 69 69 ASP N N 69 115.000 115.000 116.439 -1.439 19749 9350 1 17 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.279 0.241 19749 9351 1 17 . 1 1 69 69 ASP C C 69 175.500 175.500 173.987 1.513 19749 9352 1 17 . 1 1 69 69 ASP CA C 69 55.900 55.900 55.506 0.394 19749 9353 1 17 . 1 1 69 69 ASP CB C 69 40.600 40.600 38.884 1.716 19749 9354 1 17 . 1 1 69 69 ASP H H 69 8.360 8.360 7.874 0.486 19749 9355 1 17 . 1 1 70 70 PHE N N 70 117.200 117.200 114.684 2.516 19749 9356 1 17 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.035 -0.045 19749 9357 1 17 . 1 1 70 70 PHE C C 70 175.700 175.700 176.166 -0.466 19749 9358 1 17 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.573 1.027 19749 9359 1 17 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.942 -0.242 19749 9360 1 17 . 1 1 70 70 PHE H H 70 8.120 8.120 7.672 0.448 19749 9361 1 17 . 1 1 71 71 LEU N N 71 120.900 120.900 123.292 -2.392 19749 9362 1 17 . 1 1 71 71 LEU HA H 71 4.950 4.950 4.628 0.322 19749 9363 1 17 . 1 1 71 71 LEU C C 71 175.900 175.900 176.198 -0.298 19749 9364 1 17 . 1 1 71 71 LEU CA C 71 53.900 53.900 54.414 -0.514 19749 9365 1 17 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.119 3.581 19749 9366 1 17 . 1 1 71 71 LEU H H 71 9.330 9.330 8.908 0.422 19749 9367 1 17 . 1 1 72 72 ALA N N 72 121.500 121.500 129.035 -7.535 19749 9368 1 17 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.892 0.318 19749 9369 1 17 . 1 1 72 72 ALA C C 72 176.900 176.900 175.720 1.180 19749 9370 1 17 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.692 0.808 19749 9371 1 17 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.186 2.814 19749 9372 1 17 . 1 1 72 72 ALA H H 72 8.670 8.670 8.776 -0.106 19749 9373 1 17 . 1 1 73 73 VAL N N 73 122.700 122.700 124.593 -1.893 19749 9374 1 17 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.406 0.174 19749 9375 1 17 . 1 1 73 73 VAL C C 73 175.100 175.100 175.936 -0.836 19749 9376 1 17 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.531 0.269 19749 9377 1 17 . 1 1 73 73 VAL CB C 73 33.800 33.800 34.238 -0.438 19749 9378 1 17 . 1 1 73 73 VAL H H 73 9.310 9.310 8.393 0.917 19749 9379 1 17 . 1 1 74 74 GLN N N 74 128.600 128.600 124.901 3.699 19749 9380 1 17 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.616 0.094 19749 9381 1 17 . 1 1 74 74 GLN C C 74 175.900 175.900 175.551 0.349 19749 9382 1 17 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.551 0.549 19749 9383 1 17 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.900 1.800 19749 9384 1 17 . 1 1 74 74 GLN H H 74 9.090 9.090 8.686 0.404 19749 9385 1 17 . 1 1 75 75 THR N N 75 117.700 117.700 120.947 -3.247 19749 9386 1 17 . 1 1 75 75 THR HA H 75 4.490 4.490 4.472 0.018 19749 9387 1 17 . 1 1 75 75 THR C C 75 174.700 174.700 174.766 -0.066 19749 9388 1 17 . 1 1 75 75 THR CA C 75 62.200 62.200 62.860 -0.660 19749 9389 1 17 . 1 1 75 75 THR CB C 75 69.800 69.800 69.478 0.322 19749 9390 1 17 . 1 1 75 75 THR H H 75 8.510 8.510 8.491 0.019 19749 9391 1 17 . 1 1 76 76 SER N N 76 115.300 115.300 121.929 -6.629 19749 9392 1 17 . 1 1 76 76 SER HA H 76 4.540 4.540 4.172 0.368 19749 9393 1 17 . 1 1 76 76 SER C C 76 174.200 174.200 174.622 -0.422 19749 9394 1 17 . 1 1 76 76 SER CA C 76 58.600 58.600 61.245 -2.644 19749 9395 1 17 . 1 1 76 76 SER CB C 76 64.200 64.200 62.334 1.866 19749 9396 1 17 . 1 1 76 76 SER H H 76 8.250 8.250 9.106 -0.856 19749 9397 1 17 . 1 1 77 77 GLN N N 77 120.500 120.500 118.275 2.225 19749 9398 1 17 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.353 -0.133 19749 9399 1 17 . 1 1 77 77 GLN C C 77 176.900 176.900 175.826 1.074 19749 9400 1 17 . 1 1 77 77 GLN CA C 77 57.300 57.300 56.383 0.917 19749 9401 1 17 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.997 -0.097 19749 9402 1 17 . 1 1 77 77 GLN H H 77 8.510 8.510 8.367 0.143 19749 9403 1 17 . 1 1 78 78 GLY N N 78 110.300 110.300 109.504 0.796 19749 9404 1 17 . 1 1 78 78 GLY C C 78 173.800 173.800 173.274 0.526 19749 9405 1 17 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.349 0.151 19749 9406 1 17 . 1 1 78 78 GLY H H 78 8.610 8.610 8.287 0.323 19749 9407 1 17 . 1 1 79 79 VAL N N 79 119.500 119.500 120.292 -0.792 19749 9408 1 17 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.493 0.057 19749 9409 1 17 . 1 1 79 79 VAL CA C 79 59.500 59.500 59.069 0.430 19749 9410 1 17 . 1 1 79 79 VAL CB C 79 32.800 32.800 34.801 -2.001 19749 9411 1 17 . 1 1 79 79 VAL H H 79 7.400 7.400 7.706 -0.306 19749 9412 1 17 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.358 0.062 19749 9413 1 17 . 1 1 80 80 PRO C C 80 176.900 176.900 176.191 0.709 19749 9414 1 17 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.000 0.300 19749 9415 1 17 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.959 0.341 19749 9416 1 17 . 1 1 81 81 VAL N N 81 121.600 121.600 122.527 -0.927 19749 9417 1 17 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.000 0.040 19749 9418 1 17 . 1 1 81 81 VAL C C 81 175.800 175.800 176.436 -0.636 19749 9419 1 17 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.569 0.431 19749 9420 1 17 . 1 1 81 81 VAL CB C 81 32.800 32.800 31.745 1.054 19749 9421 1 17 . 1 1 81 81 VAL H H 81 8.390 8.390 8.133 0.257 19749 9422 1 17 . 1 1 82 82 ARG N N 82 125.400 125.400 128.866 -3.466 19749 9423 1 17 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.455 -0.005 19749 9424 1 17 . 1 1 82 82 ARG C C 82 173.900 173.900 174.405 -0.505 19749 9425 1 17 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.405 0.595 19749 9426 1 17 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.438 0.862 19749 9427 1 17 . 1 1 82 82 ARG H H 82 8.170 8.170 8.111 0.059 19749 9428 1 17 . 1 1 83 83 ARG N N 83 121.200 121.200 126.238 -5.038 19749 9429 1 17 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.955 0.375 19749 9430 1 17 . 1 1 83 83 ARG C C 83 175.600 175.600 175.633 -0.033 19749 9431 1 17 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.085 -0.585 19749 9432 1 17 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.233 2.267 19749 9433 1 17 . 1 1 83 83 ARG H H 83 8.060 8.060 8.335 -0.275 19749 9434 1 17 . 1 1 84 84 PHE N N 84 118.600 118.600 119.525 -0.925 19749 9435 1 17 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.807 0.143 19749 9436 1 17 . 1 1 84 84 PHE C C 84 175.200 175.200 176.589 -1.389 19749 9437 1 17 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.993 0.107 19749 9438 1 17 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.530 1.970 19749 9439 1 17 . 1 1 84 84 PHE H H 84 9.320 9.320 8.379 0.941 19749 9440 1 17 . 1 1 85 85 GLN N N 85 120.800 120.800 121.895 -1.095 19749 9441 1 17 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.264 -0.214 19749 9442 1 17 . 1 1 85 85 GLN C C 85 176.000 176.000 175.750 0.250 19749 9443 1 17 . 1 1 85 85 GLN CA C 85 58.400 58.400 58.693 -0.293 19749 9444 1 17 . 1 1 85 85 GLN CB C 85 30.300 30.300 29.553 0.747 19749 9445 1 17 . 1 1 85 85 GLN H H 85 9.660 9.660 9.071 0.589 19749 9446 1 17 . 1 1 86 86 THR N N 86 103.000 103.000 106.675 -3.675 19749 9447 1 17 . 1 1 86 86 THR HA H 86 4.810 4.810 4.470 0.340 19749 9448 1 17 . 1 1 86 86 THR C C 86 174.500 174.500 174.305 0.195 19749 9449 1 17 . 1 1 86 86 THR CA C 86 58.700 58.700 59.788 -1.088 19749 9450 1 17 . 1 1 86 86 THR CB C 86 73.400 73.400 70.748 2.652 19749 9451 1 17 . 1 1 86 86 THR H H 86 7.260 7.260 7.491 -0.231 19749 9452 1 17 . 1 1 87 87 LEU N N 87 122.200 122.200 122.095 0.105 19749 9453 1 17 . 1 1 87 87 LEU HA H 87 3.830 3.830 4.113 -0.283 19749 9454 1 17 . 1 1 87 87 LEU C C 87 178.600 178.600 178.452 0.148 19749 9455 1 17 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.318 -0.218 19749 9456 1 17 . 1 1 87 87 LEU CB C 87 42.400 42.400 40.905 1.495 19749 9457 1 17 . 1 1 87 87 LEU H H 87 9.150 9.150 8.588 0.562 19749 9458 1 17 . 1 1 88 88 GLY N N 88 105.200 105.200 105.793 -0.593 19749 9459 1 17 . 1 1 88 88 GLY C C 88 176.900 176.900 176.523 0.377 19749 9460 1 17 . 1 1 88 88 GLY CA C 88 47.400 47.400 46.945 0.455 19749 9461 1 17 . 1 1 88 88 GLY H H 88 8.870 8.870 8.526 0.344 19749 9462 1 17 . 1 1 89 89 GLU N N 89 122.000 122.000 121.995 0.005 19749 9463 1 17 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.025 -0.095 19749 9464 1 17 . 1 1 89 89 GLU C C 89 177.600 177.600 178.394 -0.794 19749 9465 1 17 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.621 0.279 19749 9466 1 17 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.194 1.806 19749 9467 1 17 . 1 1 89 89 GLU H H 89 7.670 7.670 7.532 0.138 19749 9468 1 17 . 1 1 90 90 LEU N N 90 122.300 122.300 120.835 1.465 19749 9469 1 17 . 1 1 90 90 LEU HA H 90 2.430 2.430 1.495 0.935 19749 9470 1 17 . 1 1 90 90 LEU C C 90 177.200 177.200 178.064 -0.864 19749 9471 1 17 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.102 1.597 19749 9472 1 17 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.414 0.686 19749 9473 1 17 . 1 1 90 90 LEU H H 90 6.880 6.880 7.298 -0.418 19749 9474 1 17 . 1 1 91 91 ILE N N 91 118.800 118.800 116.432 2.368 19749 9475 1 17 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.579 -0.469 19749 9476 1 17 . 1 1 91 91 ILE C C 91 177.700 177.700 178.292 -0.592 19749 9477 1 17 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.509 -1.109 19749 9478 1 17 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.154 -0.754 19749 9479 1 17 . 1 1 91 91 ILE H H 91 7.880 7.880 7.703 0.177 19749 9480 1 17 . 1 1 92 92 GLY N N 92 103.900 103.900 109.281 -5.381 19749 9481 1 17 . 1 1 92 92 GLY C C 92 176.400 176.400 175.844 0.556 19749 9482 1 17 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.170 -0.370 19749 9483 1 17 . 1 1 92 92 GLY H H 92 7.570 7.570 7.609 -0.039 19749 9484 1 17 . 1 1 93 93 LEU N N 93 123.200 123.200 120.559 2.641 19749 9485 1 17 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.215 -0.135 19749 9486 1 17 . 1 1 93 93 LEU C C 93 179.100 179.100 179.622 -0.522 19749 9487 1 17 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.711 -0.311 19749 9488 1 17 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.078 -1.278 19749 9489 1 17 . 1 1 93 93 LEU H H 93 7.360 7.360 7.643 -0.283 19749 9490 1 17 . 1 1 94 94 TYR N N 94 114.000 114.000 118.525 -4.525 19749 9491 1 17 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.341 -0.111 19749 9492 1 17 . 1 1 94 94 TYR C C 94 175.600 175.600 177.401 -1.801 19749 9493 1 17 . 1 1 94 94 TYR CA C 94 60.200 60.200 56.811 3.389 19749 9494 1 17 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.852 -0.252 19749 9495 1 17 . 1 1 94 94 TYR H H 94 7.380 7.380 7.676 -0.296 19749 9496 1 17 . 1 1 95 95 ALA N N 95 123.100 123.100 119.036 4.064 19749 9497 1 17 . 1 1 95 95 ALA HA H 95 4.360 4.360 3.926 0.434 19749 9498 1 17 . 1 1 95 95 ALA C C 95 177.300 177.300 176.808 0.492 19749 9499 1 17 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.512 0.388 19749 9500 1 17 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.750 0.249 19749 9501 1 17 . 1 1 95 95 ALA H H 95 7.330 7.330 7.512 -0.182 19749 9502 1 17 . 1 1 96 96 GLN N N 96 116.500 116.500 117.435 -0.935 19749 9503 1 17 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.709 -0.169 19749 9504 1 17 . 1 1 96 96 GLN CA C 96 53.000 53.000 51.918 1.082 19749 9505 1 17 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.512 0.088 19749 9506 1 17 . 1 1 96 96 GLN H H 96 7.620 7.620 7.270 0.350 19749 9507 1 17 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.261 -0.021 19749 9508 1 17 . 1 1 97 97 PRO C C 97 176.800 176.800 176.059 0.741 19749 9509 1 17 . 1 1 97 97 PRO CA C 97 62.800 62.800 63.734 -0.934 19749 9510 1 17 . 1 1 97 97 PRO CB C 97 32.800 32.800 31.357 1.444 19749 9511 1 17 . 1 1 98 98 ASN N N 98 114.900 114.900 122.681 -7.781 19749 9512 1 17 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.499 -0.019 19749 9513 1 17 . 1 1 98 98 ASN C C 98 175.100 175.100 174.999 0.101 19749 9514 1 17 . 1 1 98 98 ASN CA C 98 54.300 54.300 53.720 0.580 19749 9515 1 17 . 1 1 98 98 ASN CB C 98 36.900 36.900 39.557 -2.657 19749 9516 1 17 . 1 1 98 98 ASN H H 98 8.960 8.960 8.551 0.409 19749 9517 1 17 . 1 1 99 99 GLN N N 99 115.400 115.400 117.264 -1.864 19749 9518 1 17 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.188 0.312 19749 9519 1 17 . 1 1 99 99 GLN C C 99 176.100 176.100 174.293 1.807 19749 9520 1 17 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.876 -1.576 19749 9521 1 17 . 1 1 99 99 GLN CB C 99 29.600 29.600 28.431 1.169 19749 9522 1 17 . 1 1 99 99 GLN H H 99 8.610 8.610 8.146 0.464 19749 9523 1 17 . 1 1 100 100 GLY N N 100 107.400 107.400 109.128 -1.728 19749 9524 1 17 . 1 1 100 100 GLY C C 100 174.600 174.600 173.691 0.909 19749 9525 1 17 . 1 1 100 100 GLY CA C 100 45.400 45.400 44.886 0.514 19749 9526 1 17 . 1 1 100 100 GLY H H 100 8.460 8.460 8.262 0.198 19749 9527 1 17 . 1 1 101 101 LEU N N 101 118.400 118.400 122.992 -4.592 19749 9528 1 17 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.251 0.129 19749 9529 1 17 . 1 1 101 101 LEU C C 101 178.000 178.000 178.440 -0.440 19749 9530 1 17 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.112 -1.212 19749 9531 1 17 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.418 -0.018 19749 9532 1 17 . 1 1 101 101 LEU H H 101 8.020 8.020 7.432 0.588 19749 9533 1 17 . 1 1 102 102 VAL N N 102 114.700 114.700 122.599 -7.899 19749 9534 1 17 . 1 1 102 102 VAL HA H 102 3.590 3.590 4.039 -0.449 19749 9535 1 17 . 1 1 102 102 VAL C C 102 173.600 173.600 175.462 -1.862 19749 9536 1 17 . 1 1 102 102 VAL CA C 102 63.600 63.600 61.877 1.723 19749 9537 1 17 . 1 1 102 102 VAL CB C 102 31.100 31.100 29.106 1.994 19749 9538 1 17 . 1 1 102 102 VAL H H 102 7.260 7.260 8.469 -1.209 19749 9539 1 17 . 1 1 103 103 CYS N N 103 112.400 112.400 119.678 -7.278 19749 9540 1 17 . 1 1 103 103 CYS HA H 103 4.240 4.240 3.884 0.356 19749 9541 1 17 . 1 1 103 103 CYS C C 103 170.600 170.600 173.081 -2.481 19749 9542 1 17 . 1 1 103 103 CYS CA C 103 56.100 56.100 58.748 -2.648 19749 9543 1 17 . 1 1 103 103 CYS CB C 103 29.600 29.600 25.916 3.684 19749 9544 1 17 . 1 1 103 103 CYS H H 103 6.920 6.920 8.052 -1.132 19749 9545 1 17 . 1 1 104 104 ALA N N 104 119.600 119.600 121.025 -1.425 19749 9546 1 17 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.413 -0.203 19749 9547 1 17 . 1 1 104 104 ALA C C 104 176.300 176.300 176.768 -0.468 19749 9548 1 17 . 1 1 104 104 ALA CA C 104 51.600 51.600 51.167 0.433 19749 9549 1 17 . 1 1 104 104 ALA CB C 104 19.400 19.400 20.613 -1.213 19749 9550 1 17 . 1 1 104 104 ALA H H 104 7.840 7.840 7.728 0.112 19749 9551 1 17 . 1 1 105 105 LEU N N 105 117.100 117.100 118.808 -1.708 19749 9552 1 17 . 1 1 105 105 LEU HA H 105 3.780 3.780 4.186 -0.406 19749 9553 1 17 . 1 1 105 105 LEU C C 105 175.400 175.400 176.612 -1.212 19749 9554 1 17 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.439 -0.839 19749 9555 1 17 . 1 1 105 105 LEU CB C 105 37.400 37.400 40.124 -2.724 19749 9556 1 17 . 1 1 105 105 LEU H H 105 7.610 7.610 8.084 -0.474 19749 9557 1 17 . 1 1 106 106 LEU N N 106 124.700 124.700 126.136 -1.436 19749 9558 1 17 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.481 0.119 19749 9559 1 17 . 1 1 106 106 LEU C C 106 177.600 177.600 177.438 0.162 19749 9560 1 17 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.394 0.906 19749 9561 1 17 . 1 1 106 106 LEU CB C 106 46.000 46.000 42.986 3.014 19749 9562 1 17 . 1 1 106 106 LEU H H 106 8.160 8.160 8.513 -0.353 19749 9563 1 17 . 1 1 107 107 LEU N N 107 121.400 121.400 113.360 8.040 19749 9564 1 17 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.078 0.032 19749 9565 1 17 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.594 -0.894 19749 9566 1 17 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.044 1.556 19749 9567 1 17 . 1 1 107 107 LEU H H 107 7.930 7.930 8.038 -0.108 19749 9568 1 17 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.736 -0.306 19749 9569 1 17 . 1 1 108 108 PRO C C 108 176.500 176.500 176.099 0.401 19749 9570 1 17 . 1 1 108 108 PRO CA C 108 62.400 62.400 62.854 -0.454 19749 9571 1 17 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.190 0.610 19749 9572 1 18 . 1 1 10 10 HIS C C 10 175.000 175.000 175.084 -0.084 19749 9573 1 18 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.730 0.171 19749 9574 1 18 . 1 1 10 10 HIS CB C 10 29.900 29.900 31.104 -1.204 19749 9575 1 18 . 1 1 11 11 MET N N 11 120.400 120.400 120.031 0.369 19749 9576 1 18 . 1 1 11 11 MET HA H 11 4.000 4.000 4.570 -0.570 19749 9577 1 18 . 1 1 11 11 MET C C 11 177.500 177.500 175.094 2.406 19749 9578 1 18 . 1 1 11 11 MET CA C 11 54.100 54.100 56.361 -2.261 19749 9579 1 18 . 1 1 11 11 MET CB C 11 31.500 31.500 33.923 -2.424 19749 9580 1 18 . 1 1 11 11 MET H H 11 7.800 7.800 8.406 -0.606 19749 9581 1 18 . 1 1 12 12 SER N N 12 118.600 118.600 117.630 0.970 19749 9582 1 18 . 1 1 12 12 SER HA H 12 3.860 3.860 3.751 0.109 19749 9583 1 18 . 1 1 12 12 SER C C 12 173.900 173.900 174.687 -0.787 19749 9584 1 18 . 1 1 12 12 SER CA C 12 61.200 61.200 58.281 2.919 19749 9585 1 18 . 1 1 12 12 SER CB C 12 62.500 62.500 63.160 -0.660 19749 9586 1 18 . 1 1 12 12 SER H H 12 8.520 8.520 8.197 0.323 19749 9587 1 18 . 1 1 13 13 TRP N N 13 113.400 113.400 117.645 -4.245 19749 9588 1 18 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.648 0.242 19749 9589 1 18 . 1 1 13 13 TRP C C 13 176.000 176.000 175.401 0.599 19749 9590 1 18 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.215 -2.415 19749 9591 1 18 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.072 1.028 19749 9592 1 18 . 1 1 13 13 TRP H H 13 6.180 6.180 7.527 -1.347 19749 9593 1 18 . 1 1 14 14 TYR N N 14 123.200 123.200 123.086 0.114 19749 9594 1 18 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.524 0.046 19749 9595 1 18 . 1 1 14 14 TYR C C 14 174.700 174.700 173.662 1.038 19749 9596 1 18 . 1 1 14 14 TYR CA C 14 56.000 56.000 55.876 0.124 19749 9597 1 18 . 1 1 14 14 TYR CB C 14 37.900 37.900 38.536 -0.636 19749 9598 1 18 . 1 1 14 14 TYR H H 14 7.430 7.430 7.398 0.032 19749 9599 1 18 . 1 1 15 15 HIS N N 15 126.900 126.900 126.563 0.337 19749 9600 1 18 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.786 -0.236 19749 9601 1 18 . 1 1 15 15 HIS C C 15 173.300 173.300 175.092 -1.792 19749 9602 1 18 . 1 1 15 15 HIS CA C 15 53.100 53.100 55.156 -2.056 19749 9603 1 18 . 1 1 15 15 HIS CB C 15 30.400 30.400 32.101 -1.701 19749 9604 1 18 . 1 1 15 15 HIS H H 15 8.680 8.680 8.425 0.255 19749 9605 1 18 . 1 1 16 16 ARG N N 16 122.500 122.500 125.066 -2.566 19749 9606 1 18 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.922 0.028 19749 9607 1 18 . 1 1 16 16 ARG C C 16 176.100 176.100 177.398 -1.298 19749 9608 1 18 . 1 1 16 16 ARG CA C 16 57.300 57.300 58.376 -1.076 19749 9609 1 18 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.046 0.055 19749 9610 1 18 . 1 1 16 16 ARG H H 16 7.740 7.740 8.666 -0.926 19749 9611 1 18 . 1 1 17 17 ASP N N 17 119.100 119.100 119.990 -0.890 19749 9612 1 18 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.622 -0.102 19749 9613 1 18 . 1 1 17 17 ASP C C 17 174.900 174.900 177.003 -2.103 19749 9614 1 18 . 1 1 17 17 ASP CA C 17 54.800 54.800 54.589 0.211 19749 9615 1 18 . 1 1 17 17 ASP CB C 17 39.900 39.900 39.010 0.890 19749 9616 1 18 . 1 1 17 17 ASP H H 17 8.900 8.900 8.677 0.223 19749 9617 1 18 . 1 1 18 18 LEU N N 18 121.000 121.000 122.147 -1.147 19749 9618 1 18 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.102 0.408 19749 9619 1 18 . 1 1 18 18 LEU C C 18 176.300 176.300 175.800 0.500 19749 9620 1 18 . 1 1 18 18 LEU CA C 18 54.500 54.500 56.093 -1.593 19749 9621 1 18 . 1 1 18 18 LEU CB C 18 44.800 44.800 42.919 1.881 19749 9622 1 18 . 1 1 18 18 LEU H H 18 7.280 7.280 7.481 -0.201 19749 9623 1 18 . 1 1 19 19 SER N N 19 123.400 123.400 108.630 14.770 19749 9624 1 18 . 1 1 19 19 SER HA H 19 4.440 4.440 4.230 0.210 19749 9625 1 18 . 1 1 19 19 SER C C 19 173.900 173.900 174.545 -0.645 19749 9626 1 18 . 1 1 19 19 SER CA C 19 57.700 57.700 59.086 -1.386 19749 9627 1 18 . 1 1 19 19 SER CB C 19 65.200 65.200 63.142 2.058 19749 9628 1 18 . 1 1 19 19 SER H H 19 8.650 8.650 7.816 0.834 19749 9629 1 18 . 1 1 20 20 ARG N N 20 121.700 121.700 122.828 -1.128 19749 9630 1 18 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.904 -0.194 19749 9631 1 18 . 1 1 20 20 ARG C C 20 178.200 178.200 177.965 0.235 19749 9632 1 18 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.787 0.813 19749 9633 1 18 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.288 -0.188 19749 9634 1 18 . 1 1 20 20 ARG H H 20 8.970 8.970 8.537 0.433 19749 9635 1 18 . 1 1 21 21 ALA N N 21 119.900 119.900 120.314 -0.414 19749 9636 1 18 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.076 -0.036 19749 9637 1 18 . 1 1 21 21 ALA C C 21 180.600 180.600 179.593 1.007 19749 9638 1 18 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.957 0.243 19749 9639 1 18 . 1 1 21 21 ALA CB C 21 18.300 18.300 17.820 0.480 19749 9640 1 18 . 1 1 21 21 ALA H H 21 8.670 8.670 8.441 0.229 19749 9641 1 18 . 1 1 22 22 ALA N N 22 121.000 121.000 120.661 0.339 19749 9642 1 18 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.041 0.089 19749 9643 1 18 . 1 1 22 22 ALA C C 22 180.900 180.900 179.403 1.497 19749 9644 1 18 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.358 0.342 19749 9645 1 18 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.138 0.862 19749 9646 1 18 . 1 1 22 22 ALA H H 22 7.890 7.890 8.257 -0.366 19749 9647 1 18 . 1 1 23 23 ALA N N 23 121.700 121.700 121.686 0.014 19749 9648 1 18 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.000 -0.120 19749 9649 1 18 . 1 1 23 23 ALA C C 23 178.700 178.700 179.685 -0.985 19749 9650 1 18 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.125 -0.025 19749 9651 1 18 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.412 0.788 19749 9652 1 18 . 1 1 23 23 ALA H H 23 8.570 8.570 8.010 0.560 19749 9653 1 18 . 1 1 24 24 GLU N N 24 116.500 116.500 118.654 -2.154 19749 9654 1 18 . 1 1 24 24 GLU HA H 24 3.760 3.760 4.031 -0.271 19749 9655 1 18 . 1 1 24 24 GLU C C 24 178.900 178.900 178.971 -0.071 19749 9656 1 18 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.112 1.388 19749 9657 1 18 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.161 -0.661 19749 9658 1 18 . 1 1 24 24 GLU H H 24 8.200 8.200 8.032 0.168 19749 9659 1 18 . 1 1 25 25 GLU N N 25 120.000 120.000 120.750 -0.750 19749 9660 1 18 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.095 -0.035 19749 9661 1 18 . 1 1 25 25 GLU C C 25 178.400 178.400 179.224 -0.824 19749 9662 1 18 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.996 0.404 19749 9663 1 18 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.620 -0.120 19749 9664 1 18 . 1 1 25 25 GLU H H 25 7.690 7.690 7.712 -0.022 19749 9665 1 18 . 1 1 26 26 LEU N N 26 120.200 120.200 119.859 0.341 19749 9666 1 18 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.112 -0.202 19749 9667 1 18 . 1 1 26 26 LEU C C 26 180.200 180.200 179.344 0.856 19749 9668 1 18 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.244 0.956 19749 9669 1 18 . 1 1 26 26 LEU CB C 26 42.400 42.400 40.999 1.401 19749 9670 1 18 . 1 1 26 26 LEU H H 26 7.840 7.840 8.007 -0.167 19749 9671 1 18 . 1 1 27 27 LEU N N 27 117.800 117.800 120.951 -3.151 19749 9672 1 18 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.901 0.079 19749 9673 1 18 . 1 1 27 27 LEU C C 27 177.800 177.800 179.298 -1.498 19749 9674 1 18 . 1 1 27 27 LEU CA C 27 57.600 57.600 58.221 -0.621 19749 9675 1 18 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.240 0.660 19749 9676 1 18 . 1 1 27 27 LEU H H 27 7.960 7.960 8.298 -0.338 19749 9677 1 18 . 1 1 28 28 ALA N N 28 120.600 120.600 120.132 0.468 19749 9678 1 18 . 1 1 28 28 ALA HA H 28 3.900 3.900 3.975 -0.075 19749 9679 1 18 . 1 1 28 28 ALA C C 28 180.900 180.900 178.711 2.189 19749 9680 1 18 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.928 0.272 19749 9681 1 18 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.299 -0.399 19749 9682 1 18 . 1 1 28 28 ALA H H 28 8.160 8.160 8.120 0.040 19749 9683 1 18 . 1 1 29 29 ARG N N 29 116.200 116.200 117.218 -1.018 19749 9684 1 18 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.212 -0.252 19749 9685 1 18 . 1 1 29 29 ARG C C 29 178.000 178.000 178.130 -0.130 19749 9686 1 18 . 1 1 29 29 ARG CA C 29 58.600 58.600 57.810 0.790 19749 9687 1 18 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.521 -0.221 19749 9688 1 18 . 1 1 29 29 ARG H H 29 7.760 7.760 7.868 -0.108 19749 9689 1 18 . 1 1 30 30 ALA N N 30 123.200 123.200 119.666 3.534 19749 9690 1 18 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.338 -0.138 19749 9691 1 18 . 1 1 30 30 ALA C C 30 182.000 182.000 179.065 2.935 19749 9692 1 18 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.532 1.368 19749 9693 1 18 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.367 -0.667 19749 9694 1 18 . 1 1 30 30 ALA H H 30 7.580 7.580 7.806 -0.226 19749 9695 1 18 . 1 1 31 31 GLY N N 31 102.400 102.400 106.817 -4.417 19749 9696 1 18 . 1 1 31 31 GLY C C 31 174.800 174.800 174.344 0.456 19749 9697 1 18 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.622 3.478 19749 9698 1 18 . 1 1 31 31 GLY H H 31 7.690 7.690 7.941 -0.251 19749 9699 1 18 . 1 1 32 32 ARG N N 32 121.100 121.100 121.421 -0.321 19749 9700 1 18 . 1 1 32 32 ARG HA H 32 4.460 4.460 3.947 0.513 19749 9701 1 18 . 1 1 32 32 ARG C C 32 176.500 176.500 174.512 1.988 19749 9702 1 18 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.303 -1.903 19749 9703 1 18 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.620 2.980 19749 9704 1 18 . 1 1 32 32 ARG H H 32 7.040 7.040 8.036 -0.996 19749 9705 1 18 . 1 1 33 33 ASP N N 33 126.100 126.100 121.843 4.257 19749 9706 1 18 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.593 0.177 19749 9707 1 18 . 1 1 33 33 ASP C C 33 176.800 176.800 176.404 0.396 19749 9708 1 18 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.780 1.220 19749 9709 1 18 . 1 1 33 33 ASP CB C 33 41.000 41.000 41.117 -0.117 19749 9710 1 18 . 1 1 33 33 ASP H H 33 9.110 9.110 8.320 0.789 19749 9711 1 18 . 1 1 34 34 GLY N N 34 109.400 109.400 110.949 -1.549 19749 9712 1 18 . 1 1 34 34 GLY C C 34 175.800 175.800 174.551 1.249 19749 9713 1 18 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.824 0.176 19749 9714 1 18 . 1 1 34 34 GLY H H 34 9.440 9.440 8.773 0.667 19749 9715 1 18 . 1 1 35 35 SER N N 35 120.400 120.400 117.683 2.717 19749 9716 1 18 . 1 1 35 35 SER HA H 35 5.990 5.990 5.540 0.450 19749 9717 1 18 . 1 1 35 35 SER C C 35 173.400 173.400 174.060 -0.660 19749 9718 1 18 . 1 1 35 35 SER CA C 35 59.800 59.800 58.408 1.392 19749 9719 1 18 . 1 1 35 35 SER CB C 35 63.700 63.700 64.377 -0.677 19749 9720 1 18 . 1 1 35 35 SER H H 35 8.050 8.050 7.555 0.495 19749 9721 1 18 . 1 1 36 36 PHE N N 36 122.000 122.000 119.194 2.806 19749 9722 1 18 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.880 0.160 19749 9723 1 18 . 1 1 36 36 PHE C C 36 170.900 170.900 173.291 -2.391 19749 9724 1 18 . 1 1 36 36 PHE CA C 36 56.300 56.300 56.013 0.287 19749 9725 1 18 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.052 1.348 19749 9726 1 18 . 1 1 36 36 PHE H H 36 8.730 8.730 8.166 0.564 19749 9727 1 18 . 1 1 37 37 LEU N N 37 112.500 112.500 114.880 -2.380 19749 9728 1 18 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.089 -0.039 19749 9729 1 18 . 1 1 37 37 LEU C C 37 175.100 175.100 174.838 0.262 19749 9730 1 18 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.410 0.090 19749 9731 1 18 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.025 0.175 19749 9732 1 18 . 1 1 37 37 LEU H H 37 9.000 9.000 8.935 0.065 19749 9733 1 18 . 1 1 38 38 VAL N N 38 120.200 120.200 118.612 1.588 19749 9734 1 18 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.165 0.315 19749 9735 1 18 . 1 1 38 38 VAL C C 38 173.600 173.600 175.702 -2.102 19749 9736 1 18 . 1 1 38 38 VAL CA C 38 61.200 61.200 61.180 0.020 19749 9737 1 18 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.449 0.751 19749 9738 1 18 . 1 1 38 38 VAL H H 38 9.830 9.830 8.982 0.848 19749 9739 1 18 . 1 1 39 39 ARG N N 39 124.000 124.000 122.300 1.700 19749 9740 1 18 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.252 0.268 19749 9741 1 18 . 1 1 39 39 ARG C C 39 174.700 174.700 174.963 -0.263 19749 9742 1 18 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.431 -0.631 19749 9743 1 18 . 1 1 39 39 ARG CB C 39 34.200 34.200 34.753 -0.553 19749 9744 1 18 . 1 1 39 39 ARG H H 39 9.240 9.240 9.038 0.202 19749 9745 1 18 . 1 1 40 40 ASP N N 40 122.800 122.800 121.002 1.798 19749 9746 1 18 . 1 1 40 40 ASP HA H 40 4.950 4.950 4.891 0.059 19749 9747 1 18 . 1 1 40 40 ASP C C 40 176.500 176.500 176.094 0.406 19749 9748 1 18 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.873 2.027 19749 9749 1 18 . 1 1 40 40 ASP CB C 40 40.900 40.900 41.482 -0.582 19749 9750 1 18 . 1 1 40 40 ASP H H 40 9.060 9.060 8.121 0.939 19749 9751 1 18 . 1 1 41 41 SER N N 41 113.600 113.600 120.175 -6.575 19749 9752 1 18 . 1 1 41 41 SER HA H 41 4.200 4.200 4.351 -0.151 19749 9753 1 18 . 1 1 41 41 SER C C 41 175.700 175.700 174.891 0.809 19749 9754 1 18 . 1 1 41 41 SER CA C 41 58.400 58.400 58.755 -0.355 19749 9755 1 18 . 1 1 41 41 SER CB C 41 63.900 63.900 63.995 -0.094 19749 9756 1 18 . 1 1 41 41 SER H H 41 7.870 7.870 8.357 -0.487 19749 9757 1 18 . 1 1 42 42 GLU N N 42 127.200 127.200 122.078 5.122 19749 9758 1 18 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.146 0.244 19749 9759 1 18 . 1 1 42 42 GLU C C 42 176.500 176.500 176.117 0.383 19749 9760 1 18 . 1 1 42 42 GLU CA C 42 57.700 57.700 56.082 1.618 19749 9761 1 18 . 1 1 42 42 GLU CB C 42 29.500 29.500 27.278 2.222 19749 9762 1 18 . 1 1 42 42 GLU H H 42 9.600 9.600 8.496 1.104 19749 9763 1 18 . 1 1 43 43 SER N N 43 113.400 113.400 117.343 -3.943 19749 9764 1 18 . 1 1 43 43 SER HA H 43 4.590 4.590 4.149 0.441 19749 9765 1 18 . 1 1 43 43 SER C C 43 174.000 174.000 174.601 -0.601 19749 9766 1 18 . 1 1 43 43 SER CA C 43 59.400 59.400 58.841 0.559 19749 9767 1 18 . 1 1 43 43 SER CB C 43 65.100 65.100 62.536 2.564 19749 9768 1 18 . 1 1 43 43 SER H H 43 8.110 8.110 8.473 -0.363 19749 9769 1 18 . 1 1 44 44 VAL N N 44 123.200 123.200 118.961 4.239 19749 9770 1 18 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.212 -0.072 19749 9771 1 18 . 1 1 44 44 VAL C C 44 174.800 174.800 176.509 -1.709 19749 9772 1 18 . 1 1 44 44 VAL CA C 44 61.700 61.700 63.841 -2.141 19749 9773 1 18 . 1 1 44 44 VAL CB C 44 33.700 33.700 32.646 1.054 19749 9774 1 18 . 1 1 44 44 VAL H H 44 7.620 7.620 8.116 -0.496 19749 9775 1 18 . 1 1 45 45 ALA N N 45 130.900 130.900 121.789 9.111 19749 9776 1 18 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.377 -0.227 19749 9777 1 18 . 1 1 45 45 ALA C C 45 178.700 178.700 177.248 1.452 19749 9778 1 18 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.457 1.243 19749 9779 1 18 . 1 1 45 45 ALA CB C 45 18.100 18.100 19.099 -0.999 19749 9780 1 18 . 1 1 45 45 ALA H H 45 8.480 8.480 7.994 0.486 19749 9781 1 18 . 1 1 46 46 GLY N N 46 111.400 111.400 106.134 5.266 19749 9782 1 18 . 1 1 46 46 GLY C C 46 171.700 171.700 174.077 -2.377 19749 9783 1 18 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.883 0.518 19749 9784 1 18 . 1 1 46 46 GLY H H 46 8.600 8.600 8.485 0.115 19749 9785 1 18 . 1 1 47 47 ALA N N 47 117.600 117.600 121.291 -3.691 19749 9786 1 18 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.472 0.408 19749 9787 1 18 . 1 1 47 47 ALA C C 47 177.200 177.200 175.980 1.220 19749 9788 1 18 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.899 -1.099 19749 9789 1 18 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.214 0.486 19749 9790 1 18 . 1 1 47 47 ALA H H 47 7.340 7.340 7.456 -0.116 19749 9791 1 18 . 1 1 48 48 PHE N N 48 117.100 117.100 117.990 -0.890 19749 9792 1 18 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.293 0.077 19749 9793 1 18 . 1 1 48 48 PHE C C 48 174.100 174.100 174.764 -0.664 19749 9794 1 18 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.771 -0.271 19749 9795 1 18 . 1 1 48 48 PHE CB C 48 43.900 43.900 42.091 1.809 19749 9796 1 18 . 1 1 48 48 PHE H H 48 9.160 9.160 8.780 0.380 19749 9797 1 18 . 1 1 49 49 ALA N N 49 125.600 125.600 124.312 1.288 19749 9798 1 18 . 1 1 49 49 ALA HA H 49 5.190 5.190 4.895 0.295 19749 9799 1 18 . 1 1 49 49 ALA C C 49 174.900 174.900 175.388 -0.488 19749 9800 1 18 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.405 0.795 19749 9801 1 18 . 1 1 49 49 ALA CB C 49 20.400 20.400 21.439 -1.039 19749 9802 1 18 . 1 1 49 49 ALA H H 49 9.630 9.630 8.755 0.875 19749 9803 1 18 . 1 1 50 50 LEU N N 50 127.100 127.100 126.309 0.791 19749 9804 1 18 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.311 -0.241 19749 9805 1 18 . 1 1 50 50 LEU C C 50 174.500 174.500 175.547 -1.047 19749 9806 1 18 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.806 0.194 19749 9807 1 18 . 1 1 50 50 LEU CB C 50 43.900 43.900 44.540 -0.640 19749 9808 1 18 . 1 1 50 50 LEU H H 50 9.350 9.350 8.405 0.945 19749 9809 1 18 . 1 1 51 51 CYS N N 51 127.300 127.300 128.700 -1.400 19749 9810 1 18 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.202 0.208 19749 9811 1 18 . 1 1 51 51 CYS C C 51 173.000 173.000 173.266 -0.266 19749 9812 1 18 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.228 0.972 19749 9813 1 18 . 1 1 51 51 CYS CB C 51 30.400 30.400 27.905 2.495 19749 9814 1 18 . 1 1 51 51 CYS H H 51 9.300 9.300 9.180 0.120 19749 9815 1 18 . 1 1 52 52 VAL N N 52 123.100 123.100 129.810 -6.710 19749 9816 1 18 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.920 0.240 19749 9817 1 18 . 1 1 52 52 VAL C C 52 173.800 173.800 174.154 -0.354 19749 9818 1 18 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.944 -1.044 19749 9819 1 18 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.806 1.494 19749 9820 1 18 . 1 1 52 52 VAL H H 52 9.460 9.460 9.114 0.346 19749 9821 1 18 . 1 1 53 53 LEU N N 53 130.700 130.700 129.731 0.969 19749 9822 1 18 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.069 -0.089 19749 9823 1 18 . 1 1 53 53 LEU C C 53 175.200 175.200 174.444 0.756 19749 9824 1 18 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.399 0.601 19749 9825 1 18 . 1 1 53 53 LEU CB C 53 45.300 45.300 44.112 1.188 19749 9826 1 18 . 1 1 53 53 LEU H H 53 9.320 9.320 8.673 0.647 19749 9827 1 18 . 1 1 54 54 TYR N N 54 125.700 125.700 124.919 0.781 19749 9828 1 18 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.697 0.213 19749 9829 1 18 . 1 1 54 54 TYR C C 54 175.400 175.400 174.133 1.267 19749 9830 1 18 . 1 1 54 54 TYR CA C 54 58.700 58.700 58.820 -0.120 19749 9831 1 18 . 1 1 54 54 TYR CB C 54 41.700 41.700 42.287 -0.587 19749 9832 1 18 . 1 1 54 54 TYR H H 54 9.260 9.260 8.593 0.667 19749 9833 1 18 . 1 1 55 55 GLN N N 55 129.900 129.900 124.709 5.191 19749 9834 1 18 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.657 0.043 19749 9835 1 18 . 1 1 55 55 GLN C C 55 175.900 175.900 175.305 0.595 19749 9836 1 18 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.746 -0.046 19749 9837 1 18 . 1 1 55 55 GLN CB C 55 25.600 25.600 25.956 -0.356 19749 9838 1 18 . 1 1 55 55 GLN H H 55 9.750 9.750 8.508 1.242 19749 9839 1 18 . 1 1 56 56 LYS N N 56 107.600 107.600 116.224 -8.624 19749 9840 1 18 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.871 -0.431 19749 9841 1 18 . 1 1 56 56 LYS C C 56 174.800 174.800 175.067 -0.267 19749 9842 1 18 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.356 1.044 19749 9843 1 18 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.463 -1.663 19749 9844 1 18 . 1 1 56 56 LYS H H 56 8.920 8.920 8.189 0.731 19749 9845 1 18 . 1 1 57 57 HIS N N 57 118.200 118.200 117.142 1.058 19749 9846 1 18 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.734 0.166 19749 9847 1 18 . 1 1 57 57 HIS C C 57 173.400 173.400 173.618 -0.218 19749 9848 1 18 . 1 1 57 57 HIS CA C 57 54.300 54.300 55.228 -0.928 19749 9849 1 18 . 1 1 57 57 HIS CB C 57 31.900 31.900 32.265 -0.365 19749 9850 1 18 . 1 1 57 57 HIS H H 57 7.980 7.980 7.850 0.130 19749 9851 1 18 . 1 1 58 58 VAL N N 58 124.500 124.500 127.919 -3.419 19749 9852 1 18 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.330 0.010 19749 9853 1 18 . 1 1 58 58 VAL C C 58 175.700 175.700 175.435 0.265 19749 9854 1 18 . 1 1 58 58 VAL CA C 58 63.100 63.100 62.272 0.828 19749 9855 1 18 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.157 -0.157 19749 9856 1 18 . 1 1 58 58 VAL H H 58 8.800 8.800 8.340 0.460 19749 9857 1 18 . 1 1 59 59 HIS N N 59 132.200 132.200 126.694 5.506 19749 9858 1 18 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.720 -0.200 19749 9859 1 18 . 1 1 59 59 HIS C C 59 174.100 174.100 173.508 0.592 19749 9860 1 18 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.249 1.451 19749 9861 1 18 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.233 -1.033 19749 9862 1 18 . 1 1 59 59 HIS H H 59 9.830 9.830 8.879 0.951 19749 9863 1 18 . 1 1 60 60 THR N N 60 119.300 119.300 123.196 -3.896 19749 9864 1 18 . 1 1 60 60 THR HA H 60 5.280 5.280 5.227 0.053 19749 9865 1 18 . 1 1 60 60 THR C C 60 173.700 173.700 173.337 0.363 19749 9866 1 18 . 1 1 60 60 THR CA C 60 62.100 62.100 61.505 0.595 19749 9867 1 18 . 1 1 60 60 THR CB C 60 70.300 70.300 70.102 0.198 19749 9868 1 18 . 1 1 60 60 THR H H 60 8.420 8.420 8.615 -0.195 19749 9869 1 18 . 1 1 61 61 TYR N N 61 127.000 127.000 126.672 0.328 19749 9870 1 18 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.796 0.004 19749 9871 1 18 . 1 1 61 61 TYR C C 61 175.000 175.000 175.529 -0.529 19749 9872 1 18 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.577 -0.077 19749 9873 1 18 . 1 1 61 61 TYR CB C 61 40.900 40.900 38.928 1.972 19749 9874 1 18 . 1 1 61 61 TYR H H 61 9.810 9.810 8.783 1.027 19749 9875 1 18 . 1 1 62 62 ARG N N 62 124.200 124.200 124.417 -0.217 19749 9876 1 18 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.637 0.073 19749 9877 1 18 . 1 1 62 62 ARG C C 62 175.000 175.000 176.206 -1.206 19749 9878 1 18 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.379 1.521 19749 9879 1 18 . 1 1 62 62 ARG CB C 62 31.500 31.500 29.291 2.209 19749 9880 1 18 . 1 1 62 62 ARG H H 62 9.240 9.240 8.687 0.553 19749 9881 1 18 . 1 1 63 63 ILE N N 63 124.100 124.100 125.836 -1.736 19749 9882 1 18 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.335 0.425 19749 9883 1 18 . 1 1 63 63 ILE C C 63 174.900 174.900 175.512 -0.612 19749 9884 1 18 . 1 1 63 63 ILE CA C 63 60.500 60.500 62.159 -1.659 19749 9885 1 18 . 1 1 63 63 ILE CB C 63 39.600 39.600 37.621 1.979 19749 9886 1 18 . 1 1 63 63 ILE H H 63 8.810 8.810 8.201 0.609 19749 9887 1 18 . 1 1 64 64 LEU N N 64 126.200 126.200 124.536 1.664 19749 9888 1 18 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.156 0.044 19749 9889 1 18 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.396 0.204 19749 9890 1 18 . 1 1 64 64 LEU CB C 64 44.200 44.200 41.742 2.458 19749 9891 1 18 . 1 1 64 64 LEU H H 64 8.660 8.660 8.615 0.045 19749 9892 1 18 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.583 0.647 19749 9893 1 18 . 1 1 65 65 PRO C C 65 177.000 177.000 177.147 -0.147 19749 9894 1 18 . 1 1 65 65 PRO CA C 65 62.500 62.500 63.326 -0.826 19749 9895 1 18 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.548 -0.248 19749 9896 1 18 . 1 1 66 66 ASP N N 66 124.500 124.500 116.702 7.798 19749 9897 1 18 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.336 0.564 19749 9898 1 18 . 1 1 66 66 ASP C C 66 177.200 177.200 176.739 0.461 19749 9899 1 18 . 1 1 66 66 ASP CA C 66 52.600 52.600 54.200 -1.600 19749 9900 1 18 . 1 1 66 66 ASP CB C 66 43.000 43.000 41.485 1.515 19749 9901 1 18 . 1 1 66 66 ASP H H 66 8.650 8.650 8.283 0.367 19749 9902 1 18 . 1 1 67 67 GLY N N 67 108.300 108.300 112.217 -3.917 19749 9903 1 18 . 1 1 67 67 GLY C C 67 174.700 174.700 173.769 0.931 19749 9904 1 18 . 1 1 67 67 GLY CA C 67 45.900 45.900 44.776 1.124 19749 9905 1 18 . 1 1 67 67 GLY H H 67 8.420 8.420 8.345 0.075 19749 9906 1 18 . 1 1 68 68 GLU N N 68 120.300 120.300 121.428 -1.128 19749 9907 1 18 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.402 -0.062 19749 9908 1 18 . 1 1 68 68 GLU C C 68 176.100 176.100 176.799 -0.699 19749 9909 1 18 . 1 1 68 68 GLU CA C 68 56.800 56.800 55.221 1.579 19749 9910 1 18 . 1 1 68 68 GLU CB C 68 30.300 30.300 30.807 -0.507 19749 9911 1 18 . 1 1 68 68 GLU H H 68 8.580 8.580 8.309 0.271 19749 9912 1 18 . 1 1 69 69 ASP N N 69 115.000 115.000 118.525 -3.525 19749 9913 1 18 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.428 0.092 19749 9914 1 18 . 1 1 69 69 ASP C C 69 175.500 175.500 175.140 0.360 19749 9915 1 18 . 1 1 69 69 ASP CA C 69 55.900 55.900 56.074 -0.174 19749 9916 1 18 . 1 1 69 69 ASP CB C 69 40.600 40.600 40.394 0.206 19749 9917 1 18 . 1 1 69 69 ASP H H 69 8.360 8.360 8.643 -0.283 19749 9918 1 18 . 1 1 70 70 PHE N N 70 117.200 117.200 115.705 1.495 19749 9919 1 18 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.208 -0.218 19749 9920 1 18 . 1 1 70 70 PHE C C 70 175.700 175.700 174.132 1.568 19749 9921 1 18 . 1 1 70 70 PHE CA C 70 57.600 57.600 55.829 1.771 19749 9922 1 18 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.099 0.601 19749 9923 1 18 . 1 1 70 70 PHE H H 70 8.120 8.120 7.301 0.819 19749 9924 1 18 . 1 1 71 71 LEU N N 71 120.900 120.900 117.689 3.211 19749 9925 1 18 . 1 1 71 71 LEU HA H 71 4.950 4.950 4.897 0.053 19749 9926 1 18 . 1 1 71 71 LEU C C 71 175.900 175.900 175.608 0.292 19749 9927 1 18 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.683 0.217 19749 9928 1 18 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.908 2.792 19749 9929 1 18 . 1 1 71 71 LEU H H 71 9.330 9.330 8.892 0.438 19749 9930 1 18 . 1 1 72 72 ALA N N 72 121.500 121.500 126.376 -4.876 19749 9931 1 18 . 1 1 72 72 ALA HA H 72 5.210 5.210 5.019 0.191 19749 9932 1 18 . 1 1 72 72 ALA C C 72 176.900 176.900 175.885 1.015 19749 9933 1 18 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.333 1.167 19749 9934 1 18 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.920 2.080 19749 9935 1 18 . 1 1 72 72 ALA H H 72 8.670 8.670 8.684 -0.014 19749 9936 1 18 . 1 1 73 73 VAL N N 73 122.700 122.700 121.613 1.087 19749 9937 1 18 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.351 0.229 19749 9938 1 18 . 1 1 73 73 VAL C C 73 175.100 175.100 175.036 0.064 19749 9939 1 18 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.203 0.597 19749 9940 1 18 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.811 -0.011 19749 9941 1 18 . 1 1 73 73 VAL H H 73 9.310 9.310 8.467 0.843 19749 9942 1 18 . 1 1 74 74 GLN N N 74 128.600 128.600 126.555 2.045 19749 9943 1 18 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.706 0.004 19749 9944 1 18 . 1 1 74 74 GLN C C 74 175.900 175.900 175.939 -0.039 19749 9945 1 18 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.709 0.390 19749 9946 1 18 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.479 2.221 19749 9947 1 18 . 1 1 74 74 GLN H H 74 9.090 9.090 8.585 0.505 19749 9948 1 18 . 1 1 75 75 THR N N 75 117.700 117.700 114.343 3.357 19749 9949 1 18 . 1 1 75 75 THR HA H 75 4.490 4.490 4.309 0.181 19749 9950 1 18 . 1 1 75 75 THR C C 75 174.700 174.700 174.464 0.236 19749 9951 1 18 . 1 1 75 75 THR CA C 75 62.200 62.200 64.300 -2.100 19749 9952 1 18 . 1 1 75 75 THR CB C 75 69.800 69.800 69.163 0.637 19749 9953 1 18 . 1 1 75 75 THR H H 75 8.510 8.510 8.224 0.286 19749 9954 1 18 . 1 1 76 76 SER N N 76 115.300 115.300 114.505 0.795 19749 9955 1 18 . 1 1 76 76 SER HA H 76 4.540 4.540 4.788 -0.248 19749 9956 1 18 . 1 1 76 76 SER C C 76 174.200 174.200 173.404 0.796 19749 9957 1 18 . 1 1 76 76 SER CA C 76 58.600 58.600 57.269 1.331 19749 9958 1 18 . 1 1 76 76 SER CB C 76 64.200 64.200 66.305 -2.105 19749 9959 1 18 . 1 1 76 76 SER H H 76 8.250 8.250 8.023 0.227 19749 9960 1 18 . 1 1 77 77 GLN N N 77 120.500 120.500 122.457 -1.957 19749 9961 1 18 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.304 -0.084 19749 9962 1 18 . 1 1 77 77 GLN C C 77 176.900 176.900 177.128 -0.228 19749 9963 1 18 . 1 1 77 77 GLN CA C 77 57.300 57.300 56.964 0.336 19749 9964 1 18 . 1 1 77 77 GLN CB C 77 28.900 28.900 29.181 -0.281 19749 9965 1 18 . 1 1 77 77 GLN H H 77 8.510 8.510 8.604 -0.094 19749 9966 1 18 . 1 1 78 78 GLY N N 78 110.300 110.300 113.441 -3.141 19749 9967 1 18 . 1 1 78 78 GLY C C 78 173.800 173.800 173.594 0.206 19749 9968 1 18 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.179 0.321 19749 9969 1 18 . 1 1 78 78 GLY H H 78 8.610 8.610 8.905 -0.295 19749 9970 1 18 . 1 1 79 79 VAL N N 79 119.500 119.500 116.677 2.823 19749 9971 1 18 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.583 -0.033 19749 9972 1 18 . 1 1 79 79 VAL CA C 79 59.500 59.500 58.360 1.140 19749 9973 1 18 . 1 1 79 79 VAL CB C 79 32.800 32.800 33.581 -0.781 19749 9974 1 18 . 1 1 79 79 VAL H H 79 7.400 7.400 7.618 -0.218 19749 9975 1 18 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.607 -0.187 19749 9976 1 18 . 1 1 80 80 PRO C C 80 176.900 176.900 176.287 0.613 19749 9977 1 18 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.789 0.511 19749 9978 1 18 . 1 1 80 80 PRO CB C 80 32.300 32.300 30.989 1.310 19749 9979 1 18 . 1 1 81 81 VAL N N 81 121.600 121.600 122.441 -0.841 19749 9980 1 18 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.057 -0.017 19749 9981 1 18 . 1 1 81 81 VAL C C 81 175.800 175.800 176.309 -0.509 19749 9982 1 18 . 1 1 81 81 VAL CA C 81 63.000 63.000 61.217 1.783 19749 9983 1 18 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.445 0.355 19749 9984 1 18 . 1 1 81 81 VAL H H 81 8.390 8.390 8.057 0.333 19749 9985 1 18 . 1 1 82 82 ARG N N 82 125.400 125.400 122.524 2.876 19749 9986 1 18 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.341 0.109 19749 9987 1 18 . 1 1 82 82 ARG C C 82 173.900 173.900 174.786 -0.886 19749 9988 1 18 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.781 0.219 19749 9989 1 18 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.249 1.051 19749 9990 1 18 . 1 1 82 82 ARG H H 82 8.170 8.170 8.323 -0.153 19749 9991 1 18 . 1 1 83 83 ARG N N 83 121.200 121.200 123.795 -2.595 19749 9992 1 18 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.329 1.001 19749 9993 1 18 . 1 1 83 83 ARG C C 83 175.600 175.600 175.322 0.278 19749 9994 1 18 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.880 -1.379 19749 9995 1 18 . 1 1 83 83 ARG CB C 83 33.500 33.500 30.875 2.625 19749 9996 1 18 . 1 1 83 83 ARG H H 83 8.060 8.060 8.230 -0.170 19749 9997 1 18 . 1 1 84 84 PHE N N 84 118.600 118.600 121.223 -2.623 19749 9998 1 18 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.789 0.161 19749 9999 1 18 . 1 1 84 84 PHE C C 84 175.200 175.200 174.955 0.245 19749 10000 1 18 . 1 1 84 84 PHE CA C 84 57.100 57.100 57.194 -0.094 19749 10001 1 18 . 1 1 84 84 PHE CB C 84 44.500 44.500 41.898 2.602 19749 10002 1 18 . 1 1 84 84 PHE H H 84 9.320 9.320 8.383 0.937 19749 10003 1 18 . 1 1 85 85 GLN N N 85 120.800 120.800 120.144 0.656 19749 10004 1 18 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.595 -0.545 19749 10005 1 18 . 1 1 85 85 GLN C C 85 176.000 176.000 176.171 -0.171 19749 10006 1 18 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.414 1.986 19749 10007 1 18 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.645 -0.345 19749 10008 1 18 . 1 1 85 85 GLN H H 85 9.660 9.660 8.916 0.744 19749 10009 1 18 . 1 1 86 86 THR N N 86 103.000 103.000 114.849 -11.849 19749 10010 1 18 . 1 1 86 86 THR HA H 86 4.810 4.810 4.512 0.298 19749 10011 1 18 . 1 1 86 86 THR C C 86 174.500 174.500 173.712 0.788 19749 10012 1 18 . 1 1 86 86 THR CA C 86 58.700 58.700 60.525 -1.825 19749 10013 1 18 . 1 1 86 86 THR CB C 86 73.400 73.400 71.542 1.858 19749 10014 1 18 . 1 1 86 86 THR H H 86 7.260 7.260 7.809 -0.549 19749 10015 1 18 . 1 1 87 87 LEU N N 87 122.200 122.200 125.910 -3.710 19749 10016 1 18 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.972 -0.142 19749 10017 1 18 . 1 1 87 87 LEU C C 87 178.600 178.600 178.114 0.486 19749 10018 1 18 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.340 -0.240 19749 10019 1 18 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.334 1.066 19749 10020 1 18 . 1 1 87 87 LEU H H 87 9.150 9.150 8.716 0.434 19749 10021 1 18 . 1 1 88 88 GLY N N 88 105.200 105.200 105.494 -0.294 19749 10022 1 18 . 1 1 88 88 GLY C C 88 176.900 176.900 176.131 0.769 19749 10023 1 18 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.005 0.395 19749 10024 1 18 . 1 1 88 88 GLY H H 88 8.870 8.870 8.622 0.248 19749 10025 1 18 . 1 1 89 89 GLU N N 89 122.000 122.000 121.816 0.184 19749 10026 1 18 . 1 1 89 89 GLU HA H 89 3.930 3.930 3.949 -0.019 19749 10027 1 18 . 1 1 89 89 GLU C C 89 177.600 177.600 178.425 -0.825 19749 10028 1 18 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.480 0.420 19749 10029 1 18 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.321 1.679 19749 10030 1 18 . 1 1 89 89 GLU H H 89 7.670 7.670 7.427 0.243 19749 10031 1 18 . 1 1 90 90 LEU N N 90 122.300 122.300 120.745 1.555 19749 10032 1 18 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.278 0.152 19749 10033 1 18 . 1 1 90 90 LEU C C 90 177.200 177.200 178.089 -0.889 19749 10034 1 18 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.411 1.289 19749 10035 1 18 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.490 0.610 19749 10036 1 18 . 1 1 90 90 LEU H H 90 6.880 6.880 6.865 0.015 19749 10037 1 18 . 1 1 91 91 ILE N N 91 118.800 118.800 117.456 1.344 19749 10038 1 18 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.394 -0.284 19749 10039 1 18 . 1 1 91 91 ILE C C 91 177.700 177.700 178.037 -0.337 19749 10040 1 18 . 1 1 91 91 ILE CA C 91 61.400 61.400 64.807 -3.407 19749 10041 1 18 . 1 1 91 91 ILE CB C 91 35.400 35.400 37.098 -1.698 19749 10042 1 18 . 1 1 91 91 ILE H H 91 7.880 7.880 7.396 0.484 19749 10043 1 18 . 1 1 92 92 GLY N N 92 103.900 103.900 108.694 -4.794 19749 10044 1 18 . 1 1 92 92 GLY C C 92 176.400 176.400 175.574 0.826 19749 10045 1 18 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.050 -0.250 19749 10046 1 18 . 1 1 92 92 GLY H H 92 7.570 7.570 7.711 -0.141 19749 10047 1 18 . 1 1 93 93 LEU N N 93 123.200 123.200 121.332 1.868 19749 10048 1 18 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.077 0.003 19749 10049 1 18 . 1 1 93 93 LEU C C 93 179.100 179.100 178.728 0.372 19749 10050 1 18 . 1 1 93 93 LEU CA C 93 57.400 57.400 56.901 0.499 19749 10051 1 18 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.251 -1.451 19749 10052 1 18 . 1 1 93 93 LEU H H 93 7.360 7.360 7.659 -0.299 19749 10053 1 18 . 1 1 94 94 TYR N N 94 114.000 114.000 117.435 -3.435 19749 10054 1 18 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.761 -0.531 19749 10055 1 18 . 1 1 94 94 TYR C C 94 175.600 175.600 177.501 -1.901 19749 10056 1 18 . 1 1 94 94 TYR CA C 94 60.200 60.200 57.301 2.899 19749 10057 1 18 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.391 0.209 19749 10058 1 18 . 1 1 94 94 TYR H H 94 7.380 7.380 8.024 -0.644 19749 10059 1 18 . 1 1 95 95 ALA N N 95 123.100 123.100 121.184 1.916 19749 10060 1 18 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.172 0.188 19749 10061 1 18 . 1 1 95 95 ALA C C 95 177.300 177.300 177.456 -0.156 19749 10062 1 18 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.518 0.382 19749 10063 1 18 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.761 0.239 19749 10064 1 18 . 1 1 95 95 ALA H H 95 7.330 7.330 7.424 -0.094 19749 10065 1 18 . 1 1 96 96 GLN N N 96 116.500 116.500 118.696 -2.196 19749 10066 1 18 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.728 -0.188 19749 10067 1 18 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.654 0.346 19749 10068 1 18 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.961 -0.361 19749 10069 1 18 . 1 1 96 96 GLN H H 96 7.620 7.620 7.372 0.248 19749 10070 1 18 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.389 -0.149 19749 10071 1 18 . 1 1 97 97 PRO C C 97 176.800 176.800 177.058 -0.258 19749 10072 1 18 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.666 0.134 19749 10073 1 18 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.450 0.350 19749 10074 1 18 . 1 1 98 98 ASN N N 98 114.900 114.900 115.547 -0.647 19749 10075 1 18 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.527 -0.047 19749 10076 1 18 . 1 1 98 98 ASN C C 98 175.100 175.100 174.582 0.518 19749 10077 1 18 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.526 -0.226 19749 10078 1 18 . 1 1 98 98 ASN CB C 98 36.900 36.900 36.647 0.253 19749 10079 1 18 . 1 1 98 98 ASN H H 98 8.960 8.960 8.742 0.218 19749 10080 1 18 . 1 1 99 99 GLN N N 99 115.400 115.400 116.818 -1.418 19749 10081 1 18 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.454 0.046 19749 10082 1 18 . 1 1 99 99 GLN C C 99 176.100 176.100 175.567 0.533 19749 10083 1 18 . 1 1 99 99 GLN CA C 99 54.300 54.300 56.183 -1.883 19749 10084 1 18 . 1 1 99 99 GLN CB C 99 29.600 29.600 30.139 -0.539 19749 10085 1 18 . 1 1 99 99 GLN H H 99 8.610 8.610 8.294 0.316 19749 10086 1 18 . 1 1 100 100 GLY N N 100 107.400 107.400 106.758 0.642 19749 10087 1 18 . 1 1 100 100 GLY C C 100 174.600 174.600 173.248 1.352 19749 10088 1 18 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.013 0.388 19749 10089 1 18 . 1 1 100 100 GLY H H 100 8.460 8.460 7.974 0.486 19749 10090 1 18 . 1 1 101 101 LEU N N 101 118.400 118.400 121.515 -3.115 19749 10091 1 18 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.183 0.197 19749 10092 1 18 . 1 1 101 101 LEU C C 101 178.000 178.000 178.042 -0.042 19749 10093 1 18 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.395 -1.494 19749 10094 1 18 . 1 1 101 101 LEU CB C 101 42.400 42.400 40.383 2.017 19749 10095 1 18 . 1 1 101 101 LEU H H 101 8.020 8.020 7.513 0.507 19749 10096 1 18 . 1 1 102 102 VAL N N 102 114.700 114.700 124.936 -10.236 19749 10097 1 18 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.897 -0.307 19749 10098 1 18 . 1 1 102 102 VAL C C 102 173.600 173.600 175.474 -1.874 19749 10099 1 18 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.963 -1.363 19749 10100 1 18 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.487 -1.387 19749 10101 1 18 . 1 1 102 102 VAL H H 102 7.260 7.260 8.617 -1.357 19749 10102 1 18 . 1 1 103 103 CYS N N 103 112.400 112.400 117.540 -5.140 19749 10103 1 18 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.036 0.204 19749 10104 1 18 . 1 1 103 103 CYS C C 103 170.600 170.600 173.156 -2.556 19749 10105 1 18 . 1 1 103 103 CYS CA C 103 56.100 56.100 56.948 -0.848 19749 10106 1 18 . 1 1 103 103 CYS CB C 103 29.600 29.600 29.863 -0.263 19749 10107 1 18 . 1 1 103 103 CYS H H 103 6.920 6.920 7.698 -0.778 19749 10108 1 18 . 1 1 104 104 ALA N N 104 119.600 119.600 127.338 -7.738 19749 10109 1 18 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.089 0.121 19749 10110 1 18 . 1 1 104 104 ALA C C 104 176.300 176.300 177.145 -0.845 19749 10111 1 18 . 1 1 104 104 ALA CA C 104 51.600 51.600 51.622 -0.022 19749 10112 1 18 . 1 1 104 104 ALA CB C 104 19.400 19.400 19.608 -0.208 19749 10113 1 18 . 1 1 104 104 ALA H H 104 7.840 7.840 7.980 -0.140 19749 10114 1 18 . 1 1 105 105 LEU N N 105 117.100 117.100 123.316 -6.216 19749 10115 1 18 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.714 0.066 19749 10116 1 18 . 1 1 105 105 LEU C C 105 175.400 175.400 176.271 -0.871 19749 10117 1 18 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.428 -0.828 19749 10118 1 18 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.290 -1.890 19749 10119 1 18 . 1 1 105 105 LEU H H 105 7.610 7.610 7.997 -0.387 19749 10120 1 18 . 1 1 106 106 LEU N N 106 124.700 124.700 127.758 -3.058 19749 10121 1 18 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.597 0.003 19749 10122 1 18 . 1 1 106 106 LEU C C 106 177.600 177.600 176.322 1.278 19749 10123 1 18 . 1 1 106 106 LEU CA C 106 56.300 56.300 55.719 0.581 19749 10124 1 18 . 1 1 106 106 LEU CB C 106 46.000 46.000 44.076 1.924 19749 10125 1 18 . 1 1 106 106 LEU H H 106 8.160 8.160 8.165 -0.005 19749 10126 1 18 . 1 1 107 107 LEU N N 107 121.400 121.400 118.009 3.391 19749 10127 1 18 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.933 0.177 19749 10128 1 18 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.048 -0.348 19749 10129 1 18 . 1 1 107 107 LEU CB C 107 44.600 44.600 44.553 0.047 19749 10130 1 18 . 1 1 107 107 LEU H H 107 7.930 7.930 7.958 -0.028 19749 10131 1 18 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.803 -0.373 19749 10132 1 18 . 1 1 108 108 PRO C C 108 176.500 176.500 177.283 -0.783 19749 10133 1 18 . 1 1 108 108 PRO CA C 108 62.400 62.400 64.262 -1.862 19749 10134 1 18 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.868 0.932 19749 10135 1 19 . 1 1 10 10 HIS C C 10 175.000 175.000 176.986 -1.986 19749 10136 1 19 . 1 1 10 10 HIS CA C 10 55.900 55.900 58.151 -2.252 19749 10137 1 19 . 1 1 10 10 HIS CB C 10 29.900 29.900 29.999 -0.099 19749 10138 1 19 . 1 1 11 11 MET N N 11 120.400 120.400 117.052 3.348 19749 10139 1 19 . 1 1 11 11 MET HA H 11 4.000 4.000 4.044 -0.044 19749 10140 1 19 . 1 1 11 11 MET C C 11 177.500 177.500 175.129 2.371 19749 10141 1 19 . 1 1 11 11 MET CA C 11 54.100 54.100 57.351 -3.251 19749 10142 1 19 . 1 1 11 11 MET CB C 11 31.500 31.500 31.684 -0.184 19749 10143 1 19 . 1 1 11 11 MET H H 11 7.800 7.800 8.137 -0.337 19749 10144 1 19 . 1 1 12 12 SER N N 12 118.600 118.600 113.546 5.054 19749 10145 1 19 . 1 1 12 12 SER HA H 12 3.860 3.860 4.246 -0.386 19749 10146 1 19 . 1 1 12 12 SER C C 12 173.900 173.900 172.844 1.056 19749 10147 1 19 . 1 1 12 12 SER CA C 12 61.200 61.200 57.633 3.567 19749 10148 1 19 . 1 1 12 12 SER CB C 12 62.500 62.500 64.728 -2.228 19749 10149 1 19 . 1 1 12 12 SER H H 12 8.520 8.520 7.936 0.584 19749 10150 1 19 . 1 1 13 13 TRP N N 13 113.400 113.400 119.639 -6.239 19749 10151 1 19 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.724 0.166 19749 10152 1 19 . 1 1 13 13 TRP C C 13 176.000 176.000 175.493 0.507 19749 10153 1 19 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.359 -2.559 19749 10154 1 19 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.698 0.402 19749 10155 1 19 . 1 1 13 13 TRP H H 13 6.180 6.180 7.509 -1.329 19749 10156 1 19 . 1 1 14 14 TYR N N 14 123.200 123.200 124.582 -1.382 19749 10157 1 19 . 1 1 14 14 TYR HA H 14 5.570 5.570 4.736 0.834 19749 10158 1 19 . 1 1 14 14 TYR C C 14 174.700 174.700 174.834 -0.134 19749 10159 1 19 . 1 1 14 14 TYR CA C 14 56.000 56.000 57.150 -1.150 19749 10160 1 19 . 1 1 14 14 TYR CB C 14 37.900 37.900 37.373 0.527 19749 10161 1 19 . 1 1 14 14 TYR H H 14 7.430 7.430 7.337 0.093 19749 10162 1 19 . 1 1 15 15 HIS N N 15 126.900 126.900 129.171 -2.271 19749 10163 1 19 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.705 -0.155 19749 10164 1 19 . 1 1 15 15 HIS C C 15 173.300 173.300 174.760 -1.460 19749 10165 1 19 . 1 1 15 15 HIS CA C 15 53.100 53.100 55.041 -1.941 19749 10166 1 19 . 1 1 15 15 HIS CB C 15 30.400 30.400 30.037 0.363 19749 10167 1 19 . 1 1 15 15 HIS H H 15 8.680 8.680 8.555 0.125 19749 10168 1 19 . 1 1 16 16 ARG N N 16 122.500 122.500 122.434 0.066 19749 10169 1 19 . 1 1 16 16 ARG HA H 16 3.950 3.950 3.628 0.322 19749 10170 1 19 . 1 1 16 16 ARG C C 16 176.100 176.100 175.515 0.585 19749 10171 1 19 . 1 1 16 16 ARG CA C 16 57.300 57.300 59.049 -1.749 19749 10172 1 19 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.110 -0.010 19749 10173 1 19 . 1 1 16 16 ARG H H 16 7.740 7.740 7.901 -0.161 19749 10174 1 19 . 1 1 17 17 ASP N N 17 119.100 119.100 117.192 1.908 19749 10175 1 19 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.772 -0.253 19749 10176 1 19 . 1 1 17 17 ASP C C 17 174.900 174.900 174.924 -0.024 19749 10177 1 19 . 1 1 17 17 ASP CA C 17 54.800 54.800 53.271 1.529 19749 10178 1 19 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.974 -1.074 19749 10179 1 19 . 1 1 17 17 ASP H H 17 8.900 8.900 7.788 1.112 19749 10180 1 19 . 1 1 18 18 LEU N N 18 121.000 121.000 124.935 -3.935 19749 10181 1 19 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.543 -0.033 19749 10182 1 19 . 1 1 18 18 LEU C C 18 176.300 176.300 175.591 0.709 19749 10183 1 19 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.379 0.121 19749 10184 1 19 . 1 1 18 18 LEU CB C 18 44.800 44.800 43.486 1.314 19749 10185 1 19 . 1 1 18 18 LEU H H 18 7.280 7.280 8.329 -1.048 19749 10186 1 19 . 1 1 19 19 SER N N 19 123.400 123.400 109.554 13.846 19749 10187 1 19 . 1 1 19 19 SER HA H 19 4.440 4.440 4.204 0.236 19749 10188 1 19 . 1 1 19 19 SER C C 19 173.900 173.900 174.610 -0.710 19749 10189 1 19 . 1 1 19 19 SER CA C 19 57.700 57.700 58.705 -1.005 19749 10190 1 19 . 1 1 19 19 SER CB C 19 65.200 65.200 63.480 1.720 19749 10191 1 19 . 1 1 19 19 SER H H 19 8.650 8.650 7.878 0.772 19749 10192 1 19 . 1 1 20 20 ARG N N 20 121.700 121.700 124.978 -3.278 19749 10193 1 19 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.912 -0.202 19749 10194 1 19 . 1 1 20 20 ARG C C 20 178.200 178.200 177.600 0.600 19749 10195 1 19 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.876 0.724 19749 10196 1 19 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.466 -0.366 19749 10197 1 19 . 1 1 20 20 ARG H H 20 8.970 8.970 8.534 0.436 19749 10198 1 19 . 1 1 21 21 ALA N N 21 119.900 119.900 121.216 -1.316 19749 10199 1 19 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.015 0.025 19749 10200 1 19 . 1 1 21 21 ALA C C 21 180.600 180.600 179.228 1.372 19749 10201 1 19 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.998 0.202 19749 10202 1 19 . 1 1 21 21 ALA CB C 21 18.300 18.300 17.947 0.353 19749 10203 1 19 . 1 1 21 21 ALA H H 21 8.670 8.670 8.326 0.344 19749 10204 1 19 . 1 1 22 22 ALA N N 22 121.000 121.000 120.644 0.356 19749 10205 1 19 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.008 0.122 19749 10206 1 19 . 1 1 22 22 ALA C C 22 180.900 180.900 179.371 1.529 19749 10207 1 19 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.152 0.548 19749 10208 1 19 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.258 0.742 19749 10209 1 19 . 1 1 22 22 ALA H H 22 7.890 7.890 8.355 -0.465 19749 10210 1 19 . 1 1 23 23 ALA N N 23 121.700 121.700 122.712 -1.012 19749 10211 1 19 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.907 -0.027 19749 10212 1 19 . 1 1 23 23 ALA C C 23 178.700 178.700 179.010 -0.310 19749 10213 1 19 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.214 -0.114 19749 10214 1 19 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.308 0.892 19749 10215 1 19 . 1 1 23 23 ALA H H 23 8.570 8.570 8.156 0.414 19749 10216 1 19 . 1 1 24 24 GLU N N 24 116.500 116.500 119.931 -3.431 19749 10217 1 19 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.984 -0.224 19749 10218 1 19 . 1 1 24 24 GLU C C 24 178.900 178.900 178.755 0.145 19749 10219 1 19 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.429 1.071 19749 10220 1 19 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.694 -1.194 19749 10221 1 19 . 1 1 24 24 GLU H H 24 8.200 8.200 8.330 -0.130 19749 10222 1 19 . 1 1 25 25 GLU N N 25 120.000 120.000 119.468 0.532 19749 10223 1 19 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.085 -0.025 19749 10224 1 19 . 1 1 25 25 GLU C C 25 178.400 178.400 178.847 -0.447 19749 10225 1 19 . 1 1 25 25 GLU CA C 25 59.400 59.400 59.048 0.352 19749 10226 1 19 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.719 -0.219 19749 10227 1 19 . 1 1 25 25 GLU H H 25 7.690 7.690 7.777 -0.087 19749 10228 1 19 . 1 1 26 26 LEU N N 26 120.200 120.200 121.458 -1.258 19749 10229 1 19 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.062 -0.152 19749 10230 1 19 . 1 1 26 26 LEU C C 26 180.200 180.200 178.701 1.499 19749 10231 1 19 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.818 0.382 19749 10232 1 19 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.871 0.529 19749 10233 1 19 . 1 1 26 26 LEU H H 26 7.840 7.840 7.805 0.035 19749 10234 1 19 . 1 1 27 27 LEU N N 27 117.800 117.800 117.992 -0.192 19749 10235 1 19 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.962 0.018 19749 10236 1 19 . 1 1 27 27 LEU C C 27 177.800 177.800 179.014 -1.214 19749 10237 1 19 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.658 -0.058 19749 10238 1 19 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.177 0.723 19749 10239 1 19 . 1 1 27 27 LEU H H 27 7.960 7.960 8.155 -0.195 19749 10240 1 19 . 1 1 28 28 ALA N N 28 120.600 120.600 122.225 -1.625 19749 10241 1 19 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.124 -0.224 19749 10242 1 19 . 1 1 28 28 ALA C C 28 180.900 180.900 179.471 1.429 19749 10243 1 19 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.996 0.204 19749 10244 1 19 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.694 -0.794 19749 10245 1 19 . 1 1 28 28 ALA H H 28 8.160 8.160 7.763 0.397 19749 10246 1 19 . 1 1 29 29 ARG N N 29 116.200 116.200 119.031 -2.831 19749 10247 1 19 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.095 -0.135 19749 10248 1 19 . 1 1 29 29 ARG C C 29 178.000 178.000 178.014 -0.014 19749 10249 1 19 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.682 -0.082 19749 10250 1 19 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.280 0.020 19749 10251 1 19 . 1 1 29 29 ARG H H 29 7.760 7.760 8.486 -0.726 19749 10252 1 19 . 1 1 30 30 ALA N N 30 123.200 123.200 121.413 1.787 19749 10253 1 19 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.434 -0.234 19749 10254 1 19 . 1 1 30 30 ALA C C 30 182.000 182.000 179.259 2.741 19749 10255 1 19 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.197 1.703 19749 10256 1 19 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.352 -0.652 19749 10257 1 19 . 1 1 30 30 ALA H H 30 7.580 7.580 7.898 -0.318 19749 10258 1 19 . 1 1 31 31 GLY N N 31 102.400 102.400 105.507 -3.107 19749 10259 1 19 . 1 1 31 31 GLY C C 31 174.800 174.800 175.097 -0.297 19749 10260 1 19 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.804 3.296 19749 10261 1 19 . 1 1 31 31 GLY H H 31 7.690 7.690 7.892 -0.202 19749 10262 1 19 . 1 1 32 32 ARG N N 32 121.100 121.100 119.636 1.464 19749 10263 1 19 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.097 0.363 19749 10264 1 19 . 1 1 32 32 ARG C C 32 176.500 176.500 174.130 2.370 19749 10265 1 19 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.786 -2.386 19749 10266 1 19 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.555 3.046 19749 10267 1 19 . 1 1 32 32 ARG H H 32 7.040 7.040 8.360 -1.320 19749 10268 1 19 . 1 1 33 33 ASP N N 33 126.100 126.100 115.851 10.249 19749 10269 1 19 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.695 0.075 19749 10270 1 19 . 1 1 33 33 ASP C C 33 176.800 176.800 176.034 0.766 19749 10271 1 19 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.960 1.040 19749 10272 1 19 . 1 1 33 33 ASP CB C 33 41.000 41.000 43.200 -2.200 19749 10273 1 19 . 1 1 33 33 ASP H H 33 9.110 9.110 7.767 1.343 19749 10274 1 19 . 1 1 34 34 GLY N N 34 109.400 109.400 112.021 -2.621 19749 10275 1 19 . 1 1 34 34 GLY C C 34 175.800 175.800 174.733 1.067 19749 10276 1 19 . 1 1 34 34 GLY CA C 34 46.000 46.000 46.224 -0.224 19749 10277 1 19 . 1 1 34 34 GLY H H 34 9.440 9.440 8.497 0.943 19749 10278 1 19 . 1 1 35 35 SER N N 35 120.400 120.400 117.442 2.958 19749 10279 1 19 . 1 1 35 35 SER HA H 35 5.990 5.990 5.805 0.185 19749 10280 1 19 . 1 1 35 35 SER C C 35 173.400 173.400 174.166 -0.766 19749 10281 1 19 . 1 1 35 35 SER CA C 35 59.800 59.800 58.045 1.754 19749 10282 1 19 . 1 1 35 35 SER CB C 35 63.700 63.700 64.509 -0.809 19749 10283 1 19 . 1 1 35 35 SER H H 35 8.050 8.050 8.032 0.018 19749 10284 1 19 . 1 1 36 36 PHE N N 36 122.000 122.000 118.290 3.710 19749 10285 1 19 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.850 0.190 19749 10286 1 19 . 1 1 36 36 PHE C C 36 170.900 170.900 173.065 -2.165 19749 10287 1 19 . 1 1 36 36 PHE CA C 36 56.300 56.300 56.164 0.136 19749 10288 1 19 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.880 1.520 19749 10289 1 19 . 1 1 36 36 PHE H H 36 8.730 8.730 8.814 -0.084 19749 10290 1 19 . 1 1 37 37 LEU N N 37 112.500 112.500 115.921 -3.421 19749 10291 1 19 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.131 -0.081 19749 10292 1 19 . 1 1 37 37 LEU C C 37 175.100 175.100 174.706 0.394 19749 10293 1 19 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.187 0.313 19749 10294 1 19 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.424 -0.224 19749 10295 1 19 . 1 1 37 37 LEU H H 37 9.000 9.000 8.900 0.100 19749 10296 1 19 . 1 1 38 38 VAL N N 38 120.200 120.200 118.912 1.288 19749 10297 1 19 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.339 0.141 19749 10298 1 19 . 1 1 38 38 VAL C C 38 173.600 173.600 175.507 -1.907 19749 10299 1 19 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.957 0.243 19749 10300 1 19 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.701 0.499 19749 10301 1 19 . 1 1 38 38 VAL H H 38 9.830 9.830 8.315 1.515 19749 10302 1 19 . 1 1 39 39 ARG N N 39 124.000 124.000 121.367 2.633 19749 10303 1 19 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.183 0.337 19749 10304 1 19 . 1 1 39 39 ARG C C 39 174.700 174.700 174.152 0.548 19749 10305 1 19 . 1 1 39 39 ARG CA C 39 52.800 52.800 54.495 -1.695 19749 10306 1 19 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.381 0.819 19749 10307 1 19 . 1 1 39 39 ARG H H 39 9.240 9.240 9.265 -0.025 19749 10308 1 19 . 1 1 40 40 ASP N N 40 122.800 122.800 120.441 2.359 19749 10309 1 19 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.146 -0.196 19749 10310 1 19 . 1 1 40 40 ASP C C 40 176.500 176.500 176.281 0.219 19749 10311 1 19 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.612 2.288 19749 10312 1 19 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.769 -1.869 19749 10313 1 19 . 1 1 40 40 ASP H H 40 9.060 9.060 8.220 0.840 19749 10314 1 19 . 1 1 41 41 SER N N 41 113.600 113.600 118.380 -4.780 19749 10315 1 19 . 1 1 41 41 SER HA H 41 4.200 4.200 4.405 -0.205 19749 10316 1 19 . 1 1 41 41 SER C C 41 175.700 175.700 174.884 0.816 19749 10317 1 19 . 1 1 41 41 SER CA C 41 58.400 58.400 59.348 -0.948 19749 10318 1 19 . 1 1 41 41 SER CB C 41 63.900 63.900 63.723 0.177 19749 10319 1 19 . 1 1 41 41 SER H H 41 7.870 7.870 8.099 -0.229 19749 10320 1 19 . 1 1 42 42 GLU N N 42 127.200 127.200 122.147 5.053 19749 10321 1 19 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.356 0.034 19749 10322 1 19 . 1 1 42 42 GLU C C 42 176.500 176.500 176.174 0.326 19749 10323 1 19 . 1 1 42 42 GLU CA C 42 57.700 57.700 57.274 0.426 19749 10324 1 19 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.936 -0.436 19749 10325 1 19 . 1 1 42 42 GLU H H 42 9.600 9.600 8.860 0.740 19749 10326 1 19 . 1 1 43 43 SER N N 43 113.400 113.400 114.106 -0.706 19749 10327 1 19 . 1 1 43 43 SER HA H 43 4.590 4.590 4.553 0.037 19749 10328 1 19 . 1 1 43 43 SER C C 43 174.000 174.000 173.806 0.194 19749 10329 1 19 . 1 1 43 43 SER CA C 43 59.400 59.400 58.698 0.702 19749 10330 1 19 . 1 1 43 43 SER CB C 43 65.100 65.100 64.464 0.636 19749 10331 1 19 . 1 1 43 43 SER H H 43 8.110 8.110 7.970 0.140 19749 10332 1 19 . 1 1 44 44 VAL N N 44 123.200 123.200 121.562 1.638 19749 10333 1 19 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.279 -0.139 19749 10334 1 19 . 1 1 44 44 VAL C C 44 174.800 174.800 174.931 -0.131 19749 10335 1 19 . 1 1 44 44 VAL CA C 44 61.700 61.700 61.135 0.565 19749 10336 1 19 . 1 1 44 44 VAL CB C 44 33.700 33.700 31.586 2.114 19749 10337 1 19 . 1 1 44 44 VAL H H 44 7.620 7.620 7.826 -0.206 19749 10338 1 19 . 1 1 45 45 ALA N N 45 130.900 130.900 129.647 1.253 19749 10339 1 19 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.149 0.001 19749 10340 1 19 . 1 1 45 45 ALA C C 45 178.700 178.700 178.547 0.153 19749 10341 1 19 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.578 1.122 19749 10342 1 19 . 1 1 45 45 ALA CB C 45 18.100 18.100 19.018 -0.918 19749 10343 1 19 . 1 1 45 45 ALA H H 45 8.480 8.480 8.538 -0.058 19749 10344 1 19 . 1 1 46 46 GLY N N 46 111.400 111.400 111.141 0.259 19749 10345 1 19 . 1 1 46 46 GLY C C 46 171.700 171.700 173.894 -2.194 19749 10346 1 19 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.673 0.727 19749 10347 1 19 . 1 1 46 46 GLY H H 46 8.600 8.600 8.588 0.012 19749 10348 1 19 . 1 1 47 47 ALA N N 47 117.600 117.600 122.586 -4.986 19749 10349 1 19 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.428 0.452 19749 10350 1 19 . 1 1 47 47 ALA C C 47 177.200 177.200 175.324 1.876 19749 10351 1 19 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.894 -1.094 19749 10352 1 19 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.063 0.637 19749 10353 1 19 . 1 1 47 47 ALA H H 47 7.340 7.340 7.252 0.088 19749 10354 1 19 . 1 1 48 48 PHE N N 48 117.100 117.100 117.206 -0.106 19749 10355 1 19 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.526 -0.156 19749 10356 1 19 . 1 1 48 48 PHE C C 48 174.100 174.100 174.218 -0.118 19749 10357 1 19 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.572 -0.072 19749 10358 1 19 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.969 -0.069 19749 10359 1 19 . 1 1 48 48 PHE H H 48 9.160 9.160 8.001 1.159 19749 10360 1 19 . 1 1 49 49 ALA N N 49 125.600 125.600 120.654 4.946 19749 10361 1 19 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.224 -0.034 19749 10362 1 19 . 1 1 49 49 ALA C C 49 174.900 174.900 175.004 -0.104 19749 10363 1 19 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.357 0.843 19749 10364 1 19 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.813 -2.413 19749 10365 1 19 . 1 1 49 49 ALA H H 49 9.630 9.630 9.040 0.590 19749 10366 1 19 . 1 1 50 50 LEU N N 50 127.100 127.100 123.091 4.009 19749 10367 1 19 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.373 -0.303 19749 10368 1 19 . 1 1 50 50 LEU C C 50 174.500 174.500 175.284 -0.784 19749 10369 1 19 . 1 1 50 50 LEU CA C 50 54.000 54.000 54.060 -0.060 19749 10370 1 19 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.567 -1.667 19749 10371 1 19 . 1 1 50 50 LEU H H 50 9.350 9.350 8.511 0.839 19749 10372 1 19 . 1 1 51 51 CYS N N 51 127.300 127.300 128.633 -1.333 19749 10373 1 19 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.274 0.136 19749 10374 1 19 . 1 1 51 51 CYS C C 51 173.000 173.000 172.953 0.047 19749 10375 1 19 . 1 1 51 51 CYS CA C 51 57.200 57.200 56.624 0.576 19749 10376 1 19 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.583 1.817 19749 10377 1 19 . 1 1 51 51 CYS H H 51 9.300 9.300 9.071 0.229 19749 10378 1 19 . 1 1 52 52 VAL N N 52 123.100 123.100 129.370 -6.270 19749 10379 1 19 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.929 0.231 19749 10380 1 19 . 1 1 52 52 VAL C C 52 173.800 173.800 173.944 -0.144 19749 10381 1 19 . 1 1 52 52 VAL CA C 52 59.900 59.900 60.839 -0.939 19749 10382 1 19 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.583 1.717 19749 10383 1 19 . 1 1 52 52 VAL H H 52 9.460 9.460 8.934 0.526 19749 10384 1 19 . 1 1 53 53 LEU N N 53 130.700 130.700 130.584 0.116 19749 10385 1 19 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.321 -0.341 19749 10386 1 19 . 1 1 53 53 LEU C C 53 175.200 175.200 174.120 1.080 19749 10387 1 19 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.169 0.831 19749 10388 1 19 . 1 1 53 53 LEU CB C 53 45.300 45.300 43.909 1.391 19749 10389 1 19 . 1 1 53 53 LEU H H 53 9.320 9.320 8.639 0.681 19749 10390 1 19 . 1 1 54 54 TYR N N 54 125.700 125.700 126.950 -1.250 19749 10391 1 19 . 1 1 54 54 TYR HA H 54 4.910 4.910 5.046 -0.136 19749 10392 1 19 . 1 1 54 54 TYR C C 54 175.400 175.400 174.751 0.649 19749 10393 1 19 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.084 1.616 19749 10394 1 19 . 1 1 54 54 TYR CB C 54 41.700 41.700 42.094 -0.394 19749 10395 1 19 . 1 1 54 54 TYR H H 54 9.260 9.260 8.646 0.614 19749 10396 1 19 . 1 1 55 55 GLN N N 55 129.900 129.900 127.917 1.983 19749 10397 1 19 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.629 0.071 19749 10398 1 19 . 1 1 55 55 GLN C C 55 175.900 175.900 174.949 0.951 19749 10399 1 19 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.709 -0.009 19749 10400 1 19 . 1 1 55 55 GLN CB C 55 25.600 25.600 27.255 -1.655 19749 10401 1 19 . 1 1 55 55 GLN H H 55 9.750 9.750 8.732 1.018 19749 10402 1 19 . 1 1 56 56 LYS N N 56 107.600 107.600 112.770 -5.170 19749 10403 1 19 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.916 -0.476 19749 10404 1 19 . 1 1 56 56 LYS C C 56 174.800 174.800 175.081 -0.281 19749 10405 1 19 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.880 0.520 19749 10406 1 19 . 1 1 56 56 LYS CB C 56 29.800 29.800 30.663 -0.863 19749 10407 1 19 . 1 1 56 56 LYS H H 56 8.920 8.920 8.419 0.501 19749 10408 1 19 . 1 1 57 57 HIS N N 57 118.200 118.200 118.280 -0.080 19749 10409 1 19 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.783 0.117 19749 10410 1 19 . 1 1 57 57 HIS C C 57 173.400 173.400 173.767 -0.367 19749 10411 1 19 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.472 -0.172 19749 10412 1 19 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.587 0.312 19749 10413 1 19 . 1 1 57 57 HIS H H 57 7.980 7.980 7.906 0.074 19749 10414 1 19 . 1 1 58 58 VAL N N 58 124.500 124.500 126.753 -2.253 19749 10415 1 19 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.910 -0.570 19749 10416 1 19 . 1 1 58 58 VAL C C 58 175.700 175.700 175.439 0.261 19749 10417 1 19 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.452 1.648 19749 10418 1 19 . 1 1 58 58 VAL CB C 58 32.000 32.000 31.450 0.550 19749 10419 1 19 . 1 1 58 58 VAL H H 58 8.800 8.800 8.806 -0.006 19749 10420 1 19 . 1 1 59 59 HIS N N 59 132.200 132.200 128.779 3.421 19749 10421 1 19 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.887 -0.367 19749 10422 1 19 . 1 1 59 59 HIS C C 59 174.100 174.100 173.480 0.620 19749 10423 1 19 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.351 1.349 19749 10424 1 19 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.403 -1.203 19749 10425 1 19 . 1 1 59 59 HIS H H 59 9.830 9.830 8.442 1.388 19749 10426 1 19 . 1 1 60 60 THR N N 60 119.300 119.300 121.855 -2.555 19749 10427 1 19 . 1 1 60 60 THR HA H 60 5.280 5.280 4.954 0.326 19749 10428 1 19 . 1 1 60 60 THR C C 60 173.700 173.700 173.768 -0.068 19749 10429 1 19 . 1 1 60 60 THR CA C 60 62.100 62.100 61.842 0.258 19749 10430 1 19 . 1 1 60 60 THR CB C 60 70.300 70.300 69.832 0.468 19749 10431 1 19 . 1 1 60 60 THR H H 60 8.420 8.420 8.146 0.274 19749 10432 1 19 . 1 1 61 61 TYR N N 61 127.000 127.000 126.597 0.403 19749 10433 1 19 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.792 0.008 19749 10434 1 19 . 1 1 61 61 TYR C C 61 175.000 175.000 175.520 -0.520 19749 10435 1 19 . 1 1 61 61 TYR CA C 61 56.500 56.500 57.171 -0.671 19749 10436 1 19 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.053 1.847 19749 10437 1 19 . 1 1 61 61 TYR H H 61 9.810 9.810 9.033 0.777 19749 10438 1 19 . 1 1 62 62 ARG N N 62 124.200 124.200 123.506 0.694 19749 10439 1 19 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.604 0.106 19749 10440 1 19 . 1 1 62 62 ARG C C 62 175.000 175.000 175.883 -0.883 19749 10441 1 19 . 1 1 62 62 ARG CA C 62 56.900 56.900 57.099 -0.199 19749 10442 1 19 . 1 1 62 62 ARG CB C 62 31.500 31.500 31.374 0.126 19749 10443 1 19 . 1 1 62 62 ARG H H 62 9.240 9.240 8.800 0.440 19749 10444 1 19 . 1 1 63 63 ILE N N 63 124.100 124.100 120.965 3.135 19749 10445 1 19 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.730 0.030 19749 10446 1 19 . 1 1 63 63 ILE C C 63 174.900 174.900 174.379 0.521 19749 10447 1 19 . 1 1 63 63 ILE CA C 63 60.500 60.500 60.703 -0.203 19749 10448 1 19 . 1 1 63 63 ILE CB C 63 39.600 39.600 40.525 -0.925 19749 10449 1 19 . 1 1 63 63 ILE H H 63 8.810 8.810 8.076 0.734 19749 10450 1 19 . 1 1 64 64 LEU N N 64 126.200 126.200 128.475 -2.275 19749 10451 1 19 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.947 0.253 19749 10452 1 19 . 1 1 64 64 LEU CA C 64 51.600 51.600 52.036 -0.436 19749 10453 1 19 . 1 1 64 64 LEU CB C 64 44.200 44.200 43.149 1.051 19749 10454 1 19 . 1 1 64 64 LEU H H 64 8.660 8.660 8.467 0.193 19749 10455 1 19 . 1 1 65 65 PRO HA H 65 5.230 5.230 5.186 0.044 19749 10456 1 19 . 1 1 65 65 PRO C C 65 177.000 177.000 176.358 0.642 19749 10457 1 19 . 1 1 65 65 PRO CA C 65 62.500 62.500 61.877 0.623 19749 10458 1 19 . 1 1 65 65 PRO CB C 65 32.300 32.300 31.501 0.799 19749 10459 1 19 . 1 1 66 66 ASP N N 66 124.500 124.500 125.495 -0.995 19749 10460 1 19 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.625 0.275 19749 10461 1 19 . 1 1 66 66 ASP C C 66 177.200 177.200 177.172 0.028 19749 10462 1 19 . 1 1 66 66 ASP CA C 66 52.600 52.600 53.749 -1.149 19749 10463 1 19 . 1 1 66 66 ASP CB C 66 43.000 43.000 41.705 1.295 19749 10464 1 19 . 1 1 66 66 ASP H H 66 8.650 8.650 8.193 0.457 19749 10465 1 19 . 1 1 67 67 GLY N N 67 108.300 108.300 109.557 -1.257 19749 10466 1 19 . 1 1 67 67 GLY C C 67 174.700 174.700 173.785 0.915 19749 10467 1 19 . 1 1 67 67 GLY CA C 67 45.900 45.900 46.029 -0.129 19749 10468 1 19 . 1 1 67 67 GLY H H 67 8.420 8.420 8.767 -0.347 19749 10469 1 19 . 1 1 68 68 GLU N N 68 120.300 120.300 122.262 -1.962 19749 10470 1 19 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.421 -0.081 19749 10471 1 19 . 1 1 68 68 GLU C C 68 176.100 176.100 176.434 -0.334 19749 10472 1 19 . 1 1 68 68 GLU CA C 68 56.800 56.800 56.725 0.075 19749 10473 1 19 . 1 1 68 68 GLU CB C 68 30.300 30.300 31.864 -1.564 19749 10474 1 19 . 1 1 68 68 GLU H H 68 8.580 8.580 8.385 0.195 19749 10475 1 19 . 1 1 69 69 ASP N N 69 115.000 115.000 118.864 -3.864 19749 10476 1 19 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.684 -0.164 19749 10477 1 19 . 1 1 69 69 ASP C C 69 175.500 175.500 174.511 0.989 19749 10478 1 19 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.532 1.368 19749 10479 1 19 . 1 1 69 69 ASP CB C 69 40.600 40.600 42.045 -1.445 19749 10480 1 19 . 1 1 69 69 ASP H H 69 8.360 8.360 8.522 -0.162 19749 10481 1 19 . 1 1 70 70 PHE N N 70 117.200 117.200 118.479 -1.279 19749 10482 1 19 . 1 1 70 70 PHE HA H 70 4.990 4.990 4.747 0.243 19749 10483 1 19 . 1 1 70 70 PHE C C 70 175.700 175.700 174.080 1.620 19749 10484 1 19 . 1 1 70 70 PHE CA C 70 57.600 57.600 56.849 0.751 19749 10485 1 19 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.285 0.415 19749 10486 1 19 . 1 1 70 70 PHE H H 70 8.120 8.120 7.864 0.256 19749 10487 1 19 . 1 1 71 71 LEU N N 71 120.900 120.900 123.820 -2.920 19749 10488 1 19 . 1 1 71 71 LEU HA H 71 4.950 4.950 4.618 0.332 19749 10489 1 19 . 1 1 71 71 LEU C C 71 175.900 175.900 175.150 0.750 19749 10490 1 19 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.763 0.137 19749 10491 1 19 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.080 3.620 19749 10492 1 19 . 1 1 71 71 LEU H H 71 9.330 9.330 8.310 1.020 19749 10493 1 19 . 1 1 72 72 ALA N N 72 121.500 121.500 127.291 -5.791 19749 10494 1 19 . 1 1 72 72 ALA HA H 72 5.210 5.210 5.046 0.164 19749 10495 1 19 . 1 1 72 72 ALA C C 72 176.900 176.900 175.959 0.941 19749 10496 1 19 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.240 1.260 19749 10497 1 19 . 1 1 72 72 ALA CB C 72 23.000 23.000 21.476 1.524 19749 10498 1 19 . 1 1 72 72 ALA H H 72 8.670 8.670 8.582 0.088 19749 10499 1 19 . 1 1 73 73 VAL N N 73 122.700 122.700 121.917 0.783 19749 10500 1 19 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.470 0.110 19749 10501 1 19 . 1 1 73 73 VAL C C 73 175.100 175.100 175.562 -0.462 19749 10502 1 19 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.089 0.711 19749 10503 1 19 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.607 0.193 19749 10504 1 19 . 1 1 73 73 VAL H H 73 9.310 9.310 7.949 1.361 19749 10505 1 19 . 1 1 74 74 GLN N N 74 128.600 128.600 125.913 2.687 19749 10506 1 19 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.778 -0.068 19749 10507 1 19 . 1 1 74 74 GLN C C 74 175.900 175.900 175.305 0.595 19749 10508 1 19 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.412 -0.312 19749 10509 1 19 . 1 1 74 74 GLN CB C 74 29.700 29.700 30.141 -0.441 19749 10510 1 19 . 1 1 74 74 GLN H H 74 9.090 9.090 8.921 0.169 19749 10511 1 19 . 1 1 75 75 THR N N 75 117.700 117.700 116.630 1.070 19749 10512 1 19 . 1 1 75 75 THR HA H 75 4.490 4.490 4.441 0.049 19749 10513 1 19 . 1 1 75 75 THR C C 75 174.700 174.700 174.922 -0.222 19749 10514 1 19 . 1 1 75 75 THR CA C 75 62.200 62.200 62.466 -0.266 19749 10515 1 19 . 1 1 75 75 THR CB C 75 69.800 69.800 69.751 0.049 19749 10516 1 19 . 1 1 75 75 THR H H 75 8.510 8.510 8.544 -0.034 19749 10517 1 19 . 1 1 76 76 SER N N 76 115.300 115.300 116.705 -1.405 19749 10518 1 19 . 1 1 76 76 SER HA H 76 4.540 4.540 3.974 0.566 19749 10519 1 19 . 1 1 76 76 SER C C 76 174.200 174.200 174.889 -0.689 19749 10520 1 19 . 1 1 76 76 SER CA C 76 58.600 58.600 60.561 -1.961 19749 10521 1 19 . 1 1 76 76 SER CB C 76 64.200 64.200 62.156 2.045 19749 10522 1 19 . 1 1 76 76 SER H H 76 8.250 8.250 8.417 -0.167 19749 10523 1 19 . 1 1 77 77 GLN N N 77 120.500 120.500 120.396 0.104 19749 10524 1 19 . 1 1 77 77 GLN HA H 77 4.220 4.220 3.993 0.227 19749 10525 1 19 . 1 1 77 77 GLN C C 77 176.900 176.900 175.880 1.020 19749 10526 1 19 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.634 -0.334 19749 10527 1 19 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.285 0.615 19749 10528 1 19 . 1 1 77 77 GLN H H 77 8.510 8.510 8.697 -0.187 19749 10529 1 19 . 1 1 78 78 GLY N N 78 110.300 110.300 106.718 3.582 19749 10530 1 19 . 1 1 78 78 GLY C C 78 173.800 173.800 173.865 -0.065 19749 10531 1 19 . 1 1 78 78 GLY CA C 78 45.500 45.500 44.727 0.773 19749 10532 1 19 . 1 1 78 78 GLY H H 78 8.610 8.610 8.021 0.589 19749 10533 1 19 . 1 1 79 79 VAL N N 79 119.500 119.500 120.245 -0.745 19749 10534 1 19 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.576 -0.026 19749 10535 1 19 . 1 1 79 79 VAL CA C 79 59.500 59.500 59.376 0.124 19749 10536 1 19 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.252 0.548 19749 10537 1 19 . 1 1 79 79 VAL H H 79 7.400 7.400 7.545 -0.145 19749 10538 1 19 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.356 0.064 19749 10539 1 19 . 1 1 80 80 PRO C C 80 176.900 176.900 176.382 0.518 19749 10540 1 19 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.984 0.316 19749 10541 1 19 . 1 1 80 80 PRO CB C 80 32.300 32.300 32.010 0.290 19749 10542 1 19 . 1 1 81 81 VAL N N 81 121.600 121.600 121.994 -0.394 19749 10543 1 19 . 1 1 81 81 VAL HA H 81 4.040 4.040 3.896 0.144 19749 10544 1 19 . 1 1 81 81 VAL C C 81 175.800 175.800 176.347 -0.547 19749 10545 1 19 . 1 1 81 81 VAL CA C 81 63.000 63.000 63.114 -0.114 19749 10546 1 19 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.157 0.642 19749 10547 1 19 . 1 1 81 81 VAL H H 81 8.390 8.390 8.183 0.207 19749 10548 1 19 . 1 1 82 82 ARG N N 82 125.400 125.400 128.455 -3.055 19749 10549 1 19 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.667 -0.217 19749 10550 1 19 . 1 1 82 82 ARG C C 82 173.900 173.900 174.935 -1.035 19749 10551 1 19 . 1 1 82 82 ARG CA C 82 55.000 55.000 53.864 1.137 19749 10552 1 19 . 1 1 82 82 ARG CB C 82 32.300 32.300 30.612 1.688 19749 10553 1 19 . 1 1 82 82 ARG H H 82 8.170 8.170 8.695 -0.525 19749 10554 1 19 . 1 1 83 83 ARG N N 83 121.200 121.200 125.028 -3.828 19749 10555 1 19 . 1 1 83 83 ARG HA H 83 5.330 5.330 5.234 0.096 19749 10556 1 19 . 1 1 83 83 ARG C C 83 175.600 175.600 176.106 -0.506 19749 10557 1 19 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.336 -0.836 19749 10558 1 19 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.361 2.139 19749 10559 1 19 . 1 1 83 83 ARG H H 83 8.060 8.060 8.719 -0.659 19749 10560 1 19 . 1 1 84 84 PHE N N 84 118.600 118.600 121.478 -2.878 19749 10561 1 19 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.991 -0.041 19749 10562 1 19 . 1 1 84 84 PHE C C 84 175.200 175.200 174.544 0.656 19749 10563 1 19 . 1 1 84 84 PHE CA C 84 57.100 57.100 55.471 1.629 19749 10564 1 19 . 1 1 84 84 PHE CB C 84 44.500 44.500 40.816 3.684 19749 10565 1 19 . 1 1 84 84 PHE H H 84 9.320 9.320 8.490 0.830 19749 10566 1 19 . 1 1 85 85 GLN N N 85 120.800 120.800 121.728 -0.928 19749 10567 1 19 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.430 -0.380 19749 10568 1 19 . 1 1 85 85 GLN C C 85 176.000 176.000 175.905 0.095 19749 10569 1 19 . 1 1 85 85 GLN CA C 85 58.400 58.400 55.767 2.632 19749 10570 1 19 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.750 -0.450 19749 10571 1 19 . 1 1 85 85 GLN H H 85 9.660 9.660 8.996 0.664 19749 10572 1 19 . 1 1 86 86 THR N N 86 103.000 103.000 112.946 -9.946 19749 10573 1 19 . 1 1 86 86 THR HA H 86 4.810 4.810 4.544 0.266 19749 10574 1 19 . 1 1 86 86 THR C C 86 174.500 174.500 174.429 0.071 19749 10575 1 19 . 1 1 86 86 THR CA C 86 58.700 58.700 60.546 -1.846 19749 10576 1 19 . 1 1 86 86 THR CB C 86 73.400 73.400 70.537 2.863 19749 10577 1 19 . 1 1 86 86 THR H H 86 7.260 7.260 7.921 -0.661 19749 10578 1 19 . 1 1 87 87 LEU N N 87 122.200 122.200 127.757 -5.557 19749 10579 1 19 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.740 0.090 19749 10580 1 19 . 1 1 87 87 LEU C C 87 178.600 178.600 177.479 1.121 19749 10581 1 19 . 1 1 87 87 LEU CA C 87 57.100 57.100 56.931 0.169 19749 10582 1 19 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.720 0.680 19749 10583 1 19 . 1 1 87 87 LEU H H 87 9.150 9.150 8.824 0.326 19749 10584 1 19 . 1 1 88 88 GLY N N 88 105.200 105.200 105.823 -0.623 19749 10585 1 19 . 1 1 88 88 GLY C C 88 176.900 176.900 176.020 0.880 19749 10586 1 19 . 1 1 88 88 GLY CA C 88 47.400 47.400 46.998 0.402 19749 10587 1 19 . 1 1 88 88 GLY H H 88 8.870 8.870 8.131 0.739 19749 10588 1 19 . 1 1 89 89 GLU N N 89 122.000 122.000 122.091 -0.091 19749 10589 1 19 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.010 -0.080 19749 10590 1 19 . 1 1 89 89 GLU C C 89 177.600 177.600 178.458 -0.858 19749 10591 1 19 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.456 0.444 19749 10592 1 19 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.382 1.618 19749 10593 1 19 . 1 1 89 89 GLU H H 89 7.670 7.670 7.598 0.072 19749 10594 1 19 . 1 1 90 90 LEU N N 90 122.300 122.300 121.330 0.970 19749 10595 1 19 . 1 1 90 90 LEU HA H 90 2.430 2.430 3.803 -1.373 19749 10596 1 19 . 1 1 90 90 LEU C C 90 177.200 177.200 178.354 -1.154 19749 10597 1 19 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.892 0.808 19749 10598 1 19 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.140 0.960 19749 10599 1 19 . 1 1 90 90 LEU H H 90 6.880 6.880 6.819 0.061 19749 10600 1 19 . 1 1 91 91 ILE N N 91 118.800 118.800 116.813 1.987 19749 10601 1 19 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.603 -0.493 19749 10602 1 19 . 1 1 91 91 ILE C C 91 177.700 177.700 178.466 -0.766 19749 10603 1 19 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.821 -1.421 19749 10604 1 19 . 1 1 91 91 ILE CB C 91 35.400 35.400 35.863 -0.463 19749 10605 1 19 . 1 1 91 91 ILE H H 91 7.880 7.880 7.507 0.373 19749 10606 1 19 . 1 1 92 92 GLY N N 92 103.900 103.900 108.726 -4.826 19749 10607 1 19 . 1 1 92 92 GLY C C 92 176.400 176.400 175.969 0.431 19749 10608 1 19 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.025 -0.225 19749 10609 1 19 . 1 1 92 92 GLY H H 92 7.570 7.570 7.749 -0.179 19749 10610 1 19 . 1 1 93 93 LEU N N 93 123.200 123.200 121.619 1.581 19749 10611 1 19 . 1 1 93 93 LEU HA H 93 4.080 4.080 3.899 0.181 19749 10612 1 19 . 1 1 93 93 LEU C C 93 179.100 179.100 179.163 -0.063 19749 10613 1 19 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.554 -0.154 19749 10614 1 19 . 1 1 93 93 LEU CB C 93 40.800 40.800 41.861 -1.061 19749 10615 1 19 . 1 1 93 93 LEU H H 93 7.360 7.360 7.841 -0.481 19749 10616 1 19 . 1 1 94 94 TYR N N 94 114.000 114.000 116.236 -2.236 19749 10617 1 19 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.380 -0.150 19749 10618 1 19 . 1 1 94 94 TYR C C 94 175.600 175.600 177.607 -2.007 19749 10619 1 19 . 1 1 94 94 TYR CA C 94 60.200 60.200 59.270 0.930 19749 10620 1 19 . 1 1 94 94 TYR CB C 94 36.600 36.600 37.146 -0.546 19749 10621 1 19 . 1 1 94 94 TYR H H 94 7.380 7.380 7.931 -0.551 19749 10622 1 19 . 1 1 95 95 ALA N N 95 123.100 123.100 121.154 1.946 19749 10623 1 19 . 1 1 95 95 ALA HA H 95 4.360 4.360 3.933 0.427 19749 10624 1 19 . 1 1 95 95 ALA C C 95 177.300 177.300 177.533 -0.233 19749 10625 1 19 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.226 0.674 19749 10626 1 19 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.775 0.225 19749 10627 1 19 . 1 1 95 95 ALA H H 95 7.330 7.330 7.727 -0.397 19749 10628 1 19 . 1 1 96 96 GLN N N 96 116.500 116.500 118.658 -2.158 19749 10629 1 19 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.532 0.008 19749 10630 1 19 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.658 0.342 19749 10631 1 19 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.652 -0.052 19749 10632 1 19 . 1 1 96 96 GLN H H 96 7.620 7.620 7.425 0.195 19749 10633 1 19 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.372 -0.132 19749 10634 1 19 . 1 1 97 97 PRO C C 97 176.800 176.800 176.831 -0.031 19749 10635 1 19 . 1 1 97 97 PRO CA C 97 62.800 62.800 61.971 0.829 19749 10636 1 19 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.330 0.470 19749 10637 1 19 . 1 1 98 98 ASN N N 98 114.900 114.900 117.303 -2.403 19749 10638 1 19 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.299 0.181 19749 10639 1 19 . 1 1 98 98 ASN C C 98 175.100 175.100 174.115 0.985 19749 10640 1 19 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.253 0.047 19749 10641 1 19 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.536 -0.636 19749 10642 1 19 . 1 1 98 98 ASN H H 98 8.960 8.960 8.727 0.233 19749 10643 1 19 . 1 1 99 99 GLN N N 99 115.400 115.400 118.126 -2.726 19749 10644 1 19 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.535 -0.035 19749 10645 1 19 . 1 1 99 99 GLN C C 99 176.100 176.100 175.443 0.657 19749 10646 1 19 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.702 -1.402 19749 10647 1 19 . 1 1 99 99 GLN CB C 99 29.600 29.600 30.379 -0.779 19749 10648 1 19 . 1 1 99 99 GLN H H 99 8.610 8.610 8.555 0.055 19749 10649 1 19 . 1 1 100 100 GLY N N 100 107.400 107.400 107.407 -0.007 19749 10650 1 19 . 1 1 100 100 GLY C C 100 174.600 174.600 173.537 1.063 19749 10651 1 19 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.470 -0.070 19749 10652 1 19 . 1 1 100 100 GLY H H 100 8.460 8.460 8.093 0.367 19749 10653 1 19 . 1 1 101 101 LEU N N 101 118.400 118.400 120.436 -2.036 19749 10654 1 19 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.406 -0.026 19749 10655 1 19 . 1 1 101 101 LEU C C 101 178.000 178.000 178.781 -0.781 19749 10656 1 19 . 1 1 101 101 LEU CA C 101 52.900 52.900 53.866 -0.966 19749 10657 1 19 . 1 1 101 101 LEU CB C 101 42.400 42.400 42.517 -0.117 19749 10658 1 19 . 1 1 101 101 LEU H H 101 8.020 8.020 7.517 0.503 19749 10659 1 19 . 1 1 102 102 VAL N N 102 114.700 114.700 117.886 -3.186 19749 10660 1 19 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.971 -0.381 19749 10661 1 19 . 1 1 102 102 VAL C C 102 173.600 173.600 175.801 -2.201 19749 10662 1 19 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.221 -0.621 19749 10663 1 19 . 1 1 102 102 VAL CB C 102 31.100 31.100 32.022 -0.921 19749 10664 1 19 . 1 1 102 102 VAL H H 102 7.260 7.260 8.507 -1.247 19749 10665 1 19 . 1 1 103 103 CYS N N 103 112.400 112.400 113.631 -1.231 19749 10666 1 19 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.393 -0.153 19749 10667 1 19 . 1 1 103 103 CYS C C 103 170.600 170.600 173.175 -2.575 19749 10668 1 19 . 1 1 103 103 CYS CA C 103 56.100 56.100 56.491 -0.391 19749 10669 1 19 . 1 1 103 103 CYS CB C 103 29.600 29.600 29.736 -0.136 19749 10670 1 19 . 1 1 103 103 CYS H H 103 6.920 6.920 7.550 -0.630 19749 10671 1 19 . 1 1 104 104 ALA N N 104 119.600 119.600 122.441 -2.841 19749 10672 1 19 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.121 0.089 19749 10673 1 19 . 1 1 104 104 ALA C C 104 176.300 176.300 177.433 -1.133 19749 10674 1 19 . 1 1 104 104 ALA CA C 104 51.600 51.600 51.856 -0.256 19749 10675 1 19 . 1 1 104 104 ALA CB C 104 19.400 19.400 19.443 -0.043 19749 10676 1 19 . 1 1 104 104 ALA H H 104 7.840 7.840 7.983 -0.143 19749 10677 1 19 . 1 1 105 105 LEU N N 105 117.100 117.100 122.428 -5.328 19749 10678 1 19 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.616 0.164 19749 10679 1 19 . 1 1 105 105 LEU C C 105 175.400 175.400 176.336 -0.936 19749 10680 1 19 . 1 1 105 105 LEU CA C 105 53.600 53.600 55.038 -1.438 19749 10681 1 19 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.468 -2.068 19749 10682 1 19 . 1 1 105 105 LEU H H 105 7.610 7.610 7.936 -0.326 19749 10683 1 19 . 1 1 106 106 LEU N N 106 124.700 124.700 128.280 -3.580 19749 10684 1 19 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.707 -0.107 19749 10685 1 19 . 1 1 106 106 LEU C C 106 177.600 177.600 176.130 1.470 19749 10686 1 19 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.155 0.145 19749 10687 1 19 . 1 1 106 106 LEU CB C 106 46.000 46.000 44.635 1.365 19749 10688 1 19 . 1 1 106 106 LEU H H 106 8.160 8.160 8.002 0.158 19749 10689 1 19 . 1 1 107 107 LEU N N 107 121.400 121.400 121.957 -0.557 19749 10690 1 19 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.012 0.098 19749 10691 1 19 . 1 1 107 107 LEU CA C 107 51.700 51.700 51.795 -0.095 19749 10692 1 19 . 1 1 107 107 LEU CB C 107 44.600 44.600 44.289 0.311 19749 10693 1 19 . 1 1 107 107 LEU H H 107 7.930 7.930 8.287 -0.357 19749 10694 1 19 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.611 -1.181 19749 10695 1 19 . 1 1 108 108 PRO C C 108 176.500 176.500 176.386 0.114 19749 10696 1 19 . 1 1 108 108 PRO CA C 108 62.400 62.400 61.401 0.999 19749 10697 1 19 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.758 1.042 19749 10698 1 20 . 1 1 10 10 HIS C C 10 175.000 175.000 176.522 -1.522 19749 10699 1 20 . 1 1 10 10 HIS CA C 10 55.900 55.900 56.191 -0.291 19749 10700 1 20 . 1 1 10 10 HIS CB C 10 29.900 29.900 30.478 -0.578 19749 10701 1 20 . 1 1 11 11 MET N N 11 120.400 120.400 117.317 3.083 19749 10702 1 20 . 1 1 11 11 MET HA H 11 4.000 4.000 4.295 -0.295 19749 10703 1 20 . 1 1 11 11 MET C C 11 177.500 177.500 175.734 1.766 19749 10704 1 20 . 1 1 11 11 MET CA C 11 54.100 54.100 56.666 -2.566 19749 10705 1 20 . 1 1 11 11 MET CB C 11 31.500 31.500 32.000 -0.500 19749 10706 1 20 . 1 1 11 11 MET H H 11 7.800 7.800 8.821 -1.021 19749 10707 1 20 . 1 1 12 12 SER N N 12 118.600 118.600 115.723 2.877 19749 10708 1 20 . 1 1 12 12 SER HA H 12 3.860 3.860 4.402 -0.542 19749 10709 1 20 . 1 1 12 12 SER C C 12 173.900 173.900 175.672 -1.772 19749 10710 1 20 . 1 1 12 12 SER CA C 12 61.200 61.200 61.116 0.084 19749 10711 1 20 . 1 1 12 12 SER CB C 12 62.500 62.500 63.802 -1.302 19749 10712 1 20 . 1 1 12 12 SER H H 12 8.520 8.520 7.972 0.548 19749 10713 1 20 . 1 1 13 13 TRP N N 13 113.400 113.400 118.736 -5.336 19749 10714 1 20 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.282 0.608 19749 10715 1 20 . 1 1 13 13 TRP C C 13 176.000 176.000 173.556 2.444 19749 10716 1 20 . 1 1 13 13 TRP CA C 13 53.800 53.800 59.532 -5.732 19749 10717 1 20 . 1 1 13 13 TRP CB C 13 30.100 30.100 28.935 1.165 19749 10718 1 20 . 1 1 13 13 TRP H H 13 6.180 6.180 7.623 -1.443 19749 10719 1 20 . 1 1 14 14 TYR N N 14 123.200 123.200 122.197 1.003 19749 10720 1 20 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.508 0.062 19749 10721 1 20 . 1 1 14 14 TYR C C 14 174.700 174.700 174.622 0.078 19749 10722 1 20 . 1 1 14 14 TYR CA C 14 56.000 56.000 56.048 -0.048 19749 10723 1 20 . 1 1 14 14 TYR CB C 14 37.900 37.900 39.314 -1.414 19749 10724 1 20 . 1 1 14 14 TYR H H 14 7.430 7.430 7.397 0.033 19749 10725 1 20 . 1 1 15 15 HIS N N 15 126.900 126.900 127.505 -0.605 19749 10726 1 20 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.839 -0.289 19749 10727 1 20 . 1 1 15 15 HIS C C 15 173.300 173.300 174.146 -0.846 19749 10728 1 20 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.941 -1.841 19749 10729 1 20 . 1 1 15 15 HIS CB C 15 30.400 30.400 31.803 -1.403 19749 10730 1 20 . 1 1 15 15 HIS H H 15 8.680 8.680 7.818 0.862 19749 10731 1 20 . 1 1 16 16 ARG N N 16 122.500 122.500 125.266 -2.766 19749 10732 1 20 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.016 -0.066 19749 10733 1 20 . 1 1 16 16 ARG C C 16 176.100 176.100 175.962 0.138 19749 10734 1 20 . 1 1 16 16 ARG CA C 16 57.300 57.300 56.287 1.013 19749 10735 1 20 . 1 1 16 16 ARG CB C 16 30.100 30.100 31.308 -1.208 19749 10736 1 20 . 1 1 16 16 ARG H H 16 7.740 7.740 8.860 -1.120 19749 10737 1 20 . 1 1 17 17 ASP N N 17 119.100 119.100 118.927 0.173 19749 10738 1 20 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.063 0.457 19749 10739 1 20 . 1 1 17 17 ASP C C 17 174.900 174.900 174.057 0.843 19749 10740 1 20 . 1 1 17 17 ASP CA C 17 54.800 54.800 55.005 -0.205 19749 10741 1 20 . 1 1 17 17 ASP CB C 17 39.900 39.900 38.603 1.297 19749 10742 1 20 . 1 1 17 17 ASP H H 17 8.900 8.900 8.318 0.582 19749 10743 1 20 . 1 1 18 18 LEU N N 18 121.000 121.000 120.913 0.087 19749 10744 1 20 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.648 -0.138 19749 10745 1 20 . 1 1 18 18 LEU C C 18 176.300 176.300 175.511 0.789 19749 10746 1 20 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.057 0.443 19749 10747 1 20 . 1 1 18 18 LEU CB C 18 44.800 44.800 44.464 0.336 19749 10748 1 20 . 1 1 18 18 LEU H H 18 7.280 7.280 7.386 -0.106 19749 10749 1 20 . 1 1 19 19 SER N N 19 123.400 123.400 119.704 3.696 19749 10750 1 20 . 1 1 19 19 SER HA H 19 4.440 4.440 4.454 -0.014 19749 10751 1 20 . 1 1 19 19 SER C C 19 173.900 173.900 175.711 -1.811 19749 10752 1 20 . 1 1 19 19 SER CA C 19 57.700 57.700 57.805 -0.105 19749 10753 1 20 . 1 1 19 19 SER CB C 19 65.200 65.200 63.970 1.230 19749 10754 1 20 . 1 1 19 19 SER H H 19 8.650 8.650 8.610 0.040 19749 10755 1 20 . 1 1 20 20 ARG N N 20 121.700 121.700 124.915 -3.215 19749 10756 1 20 . 1 1 20 20 ARG HA H 20 3.710 3.710 3.799 -0.089 19749 10757 1 20 . 1 1 20 20 ARG C C 20 178.200 178.200 178.202 -0.002 19749 10758 1 20 . 1 1 20 20 ARG CA C 20 60.600 60.600 60.823 -0.223 19749 10759 1 20 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.167 -0.067 19749 10760 1 20 . 1 1 20 20 ARG H H 20 8.970 8.970 8.849 0.121 19749 10761 1 20 . 1 1 21 21 ALA N N 21 119.900 119.900 121.516 -1.616 19749 10762 1 20 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.091 -0.051 19749 10763 1 20 . 1 1 21 21 ALA C C 21 180.600 180.600 179.533 1.067 19749 10764 1 20 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.779 0.421 19749 10765 1 20 . 1 1 21 21 ALA CB C 21 18.300 18.300 17.862 0.438 19749 10766 1 20 . 1 1 21 21 ALA H H 21 8.670 8.670 8.491 0.179 19749 10767 1 20 . 1 1 22 22 ALA N N 22 121.000 121.000 120.272 0.728 19749 10768 1 20 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.153 -0.023 19749 10769 1 20 . 1 1 22 22 ALA C C 22 180.900 180.900 179.583 1.317 19749 10770 1 20 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.418 0.282 19749 10771 1 20 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.213 0.787 19749 10772 1 20 . 1 1 22 22 ALA H H 22 7.890 7.890 8.325 -0.435 19749 10773 1 20 . 1 1 23 23 ALA N N 23 121.700 121.700 121.876 -0.176 19749 10774 1 20 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.990 -0.110 19749 10775 1 20 . 1 1 23 23 ALA C C 23 178.700 178.700 179.315 -0.615 19749 10776 1 20 . 1 1 23 23 ALA CA C 23 55.100 55.100 54.787 0.313 19749 10777 1 20 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.226 0.974 19749 10778 1 20 . 1 1 23 23 ALA H H 23 8.570 8.570 8.040 0.530 19749 10779 1 20 . 1 1 24 24 GLU N N 24 116.500 116.500 119.734 -3.234 19749 10780 1 20 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.819 -0.059 19749 10781 1 20 . 1 1 24 24 GLU C C 24 178.900 178.900 178.398 0.502 19749 10782 1 20 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.802 0.698 19749 10783 1 20 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.403 -0.903 19749 10784 1 20 . 1 1 24 24 GLU H H 24 8.200 8.200 8.475 -0.275 19749 10785 1 20 . 1 1 25 25 GLU N N 25 120.000 120.000 119.452 0.548 19749 10786 1 20 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.025 0.035 19749 10787 1 20 . 1 1 25 25 GLU C C 25 178.400 178.400 178.814 -0.414 19749 10788 1 20 . 1 1 25 25 GLU CA C 25 59.400 59.400 59.119 0.281 19749 10789 1 20 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.596 -0.096 19749 10790 1 20 . 1 1 25 25 GLU H H 25 7.690 7.690 7.587 0.103 19749 10791 1 20 . 1 1 26 26 LEU N N 26 120.200 120.200 121.149 -0.949 19749 10792 1 20 . 1 1 26 26 LEU HA H 26 3.910 3.910 3.909 0.001 19749 10793 1 20 . 1 1 26 26 LEU C C 26 180.200 180.200 178.522 1.678 19749 10794 1 20 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.927 0.273 19749 10795 1 20 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.734 0.666 19749 10796 1 20 . 1 1 26 26 LEU H H 26 7.840 7.840 7.569 0.271 19749 10797 1 20 . 1 1 27 27 LEU N N 27 117.800 117.800 118.568 -0.768 19749 10798 1 20 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.809 0.171 19749 10799 1 20 . 1 1 27 27 LEU C C 27 177.800 177.800 178.984 -1.184 19749 10800 1 20 . 1 1 27 27 LEU CA C 27 57.600 57.600 58.010 -0.409 19749 10801 1 20 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.167 0.733 19749 10802 1 20 . 1 1 27 27 LEU H H 27 7.960 7.960 8.060 -0.100 19749 10803 1 20 . 1 1 28 28 ALA N N 28 120.600 120.600 121.174 -0.574 19749 10804 1 20 . 1 1 28 28 ALA HA H 28 3.900 3.900 3.996 -0.096 19749 10805 1 20 . 1 1 28 28 ALA C C 28 180.900 180.900 178.775 2.125 19749 10806 1 20 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.886 0.314 19749 10807 1 20 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.312 -0.412 19749 10808 1 20 . 1 1 28 28 ALA H H 28 8.160 8.160 7.986 0.174 19749 10809 1 20 . 1 1 29 29 ARG N N 29 116.200 116.200 116.346 -0.146 19749 10810 1 20 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.235 -0.275 19749 10811 1 20 . 1 1 29 29 ARG C C 29 178.000 178.000 177.831 0.169 19749 10812 1 20 . 1 1 29 29 ARG CA C 29 58.600 58.600 57.913 0.687 19749 10813 1 20 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.766 -0.466 19749 10814 1 20 . 1 1 29 29 ARG H H 29 7.760 7.760 7.818 -0.058 19749 10815 1 20 . 1 1 30 30 ALA N N 30 123.200 123.200 120.506 2.694 19749 10816 1 20 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.418 -0.218 19749 10817 1 20 . 1 1 30 30 ALA C C 30 182.000 182.000 178.650 3.350 19749 10818 1 20 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.352 1.548 19749 10819 1 20 . 1 1 30 30 ALA CB C 30 18.700 18.700 18.911 -0.211 19749 10820 1 20 . 1 1 30 30 ALA H H 30 7.580 7.580 7.797 -0.217 19749 10821 1 20 . 1 1 31 31 GLY N N 31 102.400 102.400 105.684 -3.284 19749 10822 1 20 . 1 1 31 31 GLY C C 31 174.800 174.800 174.876 -0.076 19749 10823 1 20 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.923 3.177 19749 10824 1 20 . 1 1 31 31 GLY H H 31 7.690 7.690 7.840 -0.150 19749 10825 1 20 . 1 1 32 32 ARG N N 32 121.100 121.100 119.428 1.672 19749 10826 1 20 . 1 1 32 32 ARG HA H 32 4.460 4.460 3.904 0.556 19749 10827 1 20 . 1 1 32 32 ARG C C 32 176.500 176.500 173.897 2.603 19749 10828 1 20 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.501 -2.101 19749 10829 1 20 . 1 1 32 32 ARG CB C 32 32.600 32.600 29.488 3.111 19749 10830 1 20 . 1 1 32 32 ARG H H 32 7.040 7.040 8.164 -1.124 19749 10831 1 20 . 1 1 33 33 ASP N N 33 126.100 126.100 117.345 8.755 19749 10832 1 20 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.775 -0.005 19749 10833 1 20 . 1 1 33 33 ASP C C 33 176.800 176.800 175.910 0.890 19749 10834 1 20 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.806 1.194 19749 10835 1 20 . 1 1 33 33 ASP CB C 33 41.000 41.000 42.139 -1.139 19749 10836 1 20 . 1 1 33 33 ASP H H 33 9.110 9.110 7.940 1.170 19749 10837 1 20 . 1 1 34 34 GLY N N 34 109.400 109.400 114.208 -4.808 19749 10838 1 20 . 1 1 34 34 GLY C C 34 175.800 175.800 174.608 1.192 19749 10839 1 20 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.837 0.162 19749 10840 1 20 . 1 1 34 34 GLY H H 34 9.440 9.440 8.857 0.583 19749 10841 1 20 . 1 1 35 35 SER N N 35 120.400 120.400 117.829 2.571 19749 10842 1 20 . 1 1 35 35 SER HA H 35 5.990 5.990 5.435 0.555 19749 10843 1 20 . 1 1 35 35 SER C C 35 173.400 173.400 174.091 -0.691 19749 10844 1 20 . 1 1 35 35 SER CA C 35 59.800 59.800 58.329 1.471 19749 10845 1 20 . 1 1 35 35 SER CB C 35 63.700 63.700 63.248 0.452 19749 10846 1 20 . 1 1 35 35 SER H H 35 8.050 8.050 7.770 0.280 19749 10847 1 20 . 1 1 36 36 PHE N N 36 122.000 122.000 122.045 -0.045 19749 10848 1 20 . 1 1 36 36 PHE HA H 36 6.040 6.040 6.087 -0.047 19749 10849 1 20 . 1 1 36 36 PHE C C 36 170.900 170.900 173.496 -2.596 19749 10850 1 20 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.322 0.978 19749 10851 1 20 . 1 1 36 36 PHE CB C 36 44.400 44.400 43.240 1.160 19749 10852 1 20 . 1 1 36 36 PHE H H 36 8.730 8.730 8.567 0.163 19749 10853 1 20 . 1 1 37 37 LEU N N 37 112.500 112.500 114.337 -1.837 19749 10854 1 20 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.003 0.047 19749 10855 1 20 . 1 1 37 37 LEU C C 37 175.100 175.100 174.339 0.761 19749 10856 1 20 . 1 1 37 37 LEU CA C 37 54.500 54.500 53.929 0.571 19749 10857 1 20 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.728 -0.528 19749 10858 1 20 . 1 1 37 37 LEU H H 37 9.000 9.000 8.613 0.387 19749 10859 1 20 . 1 1 38 38 VAL N N 38 120.200 120.200 119.214 0.986 19749 10860 1 20 . 1 1 38 38 VAL HA H 38 5.480 5.480 4.717 0.763 19749 10861 1 20 . 1 1 38 38 VAL C C 38 173.600 173.600 174.459 -0.859 19749 10862 1 20 . 1 1 38 38 VAL CA C 38 61.200 61.200 60.596 0.604 19749 10863 1 20 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.047 1.153 19749 10864 1 20 . 1 1 38 38 VAL H H 38 9.830 9.830 8.046 1.784 19749 10865 1 20 . 1 1 39 39 ARG N N 39 124.000 124.000 125.941 -1.941 19749 10866 1 20 . 1 1 39 39 ARG HA H 39 5.520 5.520 4.686 0.834 19749 10867 1 20 . 1 1 39 39 ARG C C 39 174.700 174.700 174.051 0.649 19749 10868 1 20 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.127 -0.327 19749 10869 1 20 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.370 0.830 19749 10870 1 20 . 1 1 39 39 ARG H H 39 9.240 9.240 9.004 0.236 19749 10871 1 20 . 1 1 40 40 ASP N N 40 122.800 122.800 121.029 1.771 19749 10872 1 20 . 1 1 40 40 ASP HA H 40 4.950 4.950 4.883 0.067 19749 10873 1 20 . 1 1 40 40 ASP C C 40 176.500 176.500 175.863 0.637 19749 10874 1 20 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.629 2.272 19749 10875 1 20 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.434 -1.534 19749 10876 1 20 . 1 1 40 40 ASP H H 40 9.060 9.060 7.897 1.163 19749 10877 1 20 . 1 1 41 41 SER N N 41 113.600 113.600 121.274 -7.674 19749 10878 1 20 . 1 1 41 41 SER HA H 41 4.200 4.200 4.162 0.038 19749 10879 1 20 . 1 1 41 41 SER C C 41 175.700 175.700 175.119 0.581 19749 10880 1 20 . 1 1 41 41 SER CA C 41 58.400 58.400 59.465 -1.065 19749 10881 1 20 . 1 1 41 41 SER CB C 41 63.900 63.900 63.796 0.104 19749 10882 1 20 . 1 1 41 41 SER H H 41 7.870 7.870 7.888 -0.018 19749 10883 1 20 . 1 1 42 42 GLU N N 42 127.200 127.200 120.819 6.381 19749 10884 1 20 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.163 0.227 19749 10885 1 20 . 1 1 42 42 GLU C C 42 176.500 176.500 176.759 -0.259 19749 10886 1 20 . 1 1 42 42 GLU CA C 42 57.700 57.700 57.413 0.287 19749 10887 1 20 . 1 1 42 42 GLU CB C 42 29.500 29.500 30.003 -0.503 19749 10888 1 20 . 1 1 42 42 GLU H H 42 9.600 9.600 8.472 1.128 19749 10889 1 20 . 1 1 43 43 SER N N 43 113.400 113.400 114.687 -1.287 19749 10890 1 20 . 1 1 43 43 SER HA H 43 4.590 4.590 4.562 0.028 19749 10891 1 20 . 1 1 43 43 SER C C 43 174.000 174.000 172.749 1.251 19749 10892 1 20 . 1 1 43 43 SER CA C 43 59.400 59.400 58.602 0.798 19749 10893 1 20 . 1 1 43 43 SER CB C 43 65.100 65.100 62.954 2.146 19749 10894 1 20 . 1 1 43 43 SER H H 43 8.110 8.110 7.852 0.258 19749 10895 1 20 . 1 1 44 44 VAL N N 44 123.200 123.200 124.976 -1.776 19749 10896 1 20 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.242 -0.102 19749 10897 1 20 . 1 1 44 44 VAL C C 44 174.800 174.800 175.068 -0.268 19749 10898 1 20 . 1 1 44 44 VAL CA C 44 61.700 61.700 62.122 -0.422 19749 10899 1 20 . 1 1 44 44 VAL CB C 44 33.700 33.700 33.523 0.177 19749 10900 1 20 . 1 1 44 44 VAL H H 44 7.620 7.620 7.903 -0.283 19749 10901 1 20 . 1 1 45 45 ALA N N 45 130.900 130.900 125.117 5.783 19749 10902 1 20 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.408 -0.258 19749 10903 1 20 . 1 1 45 45 ALA C C 45 178.700 178.700 177.285 1.415 19749 10904 1 20 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.470 1.230 19749 10905 1 20 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.210 -0.110 19749 10906 1 20 . 1 1 45 45 ALA H H 45 8.480 8.480 8.461 0.019 19749 10907 1 20 . 1 1 46 46 GLY N N 46 111.400 111.400 106.438 4.962 19749 10908 1 20 . 1 1 46 46 GLY C C 46 171.700 171.700 172.829 -1.129 19749 10909 1 20 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.642 0.759 19749 10910 1 20 . 1 1 46 46 GLY H H 46 8.600 8.600 7.273 1.327 19749 10911 1 20 . 1 1 47 47 ALA N N 47 117.600 117.600 125.362 -7.762 19749 10912 1 20 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.810 0.070 19749 10913 1 20 . 1 1 47 47 ALA C C 47 177.200 177.200 175.263 1.937 19749 10914 1 20 . 1 1 47 47 ALA CA C 47 49.800 49.800 51.237 -1.437 19749 10915 1 20 . 1 1 47 47 ALA CB C 47 21.700 21.700 22.182 -0.482 19749 10916 1 20 . 1 1 47 47 ALA H H 47 7.340 7.340 7.680 -0.340 19749 10917 1 20 . 1 1 48 48 PHE N N 48 117.100 117.100 122.138 -5.038 19749 10918 1 20 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.181 0.189 19749 10919 1 20 . 1 1 48 48 PHE C C 48 174.100 174.100 174.129 -0.029 19749 10920 1 20 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.541 -0.041 19749 10921 1 20 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.038 0.862 19749 10922 1 20 . 1 1 48 48 PHE H H 48 9.160 9.160 8.680 0.480 19749 10923 1 20 . 1 1 49 49 ALA N N 49 125.600 125.600 123.669 1.931 19749 10924 1 20 . 1 1 49 49 ALA HA H 49 5.190 5.190 4.929 0.261 19749 10925 1 20 . 1 1 49 49 ALA C C 49 174.900 174.900 175.246 -0.346 19749 10926 1 20 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.284 0.916 19749 10927 1 20 . 1 1 49 49 ALA CB C 49 20.400 20.400 21.182 -0.782 19749 10928 1 20 . 1 1 49 49 ALA H H 49 9.630 9.630 8.986 0.644 19749 10929 1 20 . 1 1 50 50 LEU N N 50 127.100 127.100 125.705 1.395 19749 10930 1 20 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.670 -0.600 19749 10931 1 20 . 1 1 50 50 LEU C C 50 174.500 174.500 175.505 -1.005 19749 10932 1 20 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.312 0.688 19749 10933 1 20 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.498 -1.598 19749 10934 1 20 . 1 1 50 50 LEU H H 50 9.350 9.350 8.478 0.872 19749 10935 1 20 . 1 1 51 51 CYS N N 51 127.300 127.300 125.850 1.450 19749 10936 1 20 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.745 -0.335 19749 10937 1 20 . 1 1 51 51 CYS C C 51 173.000 173.000 173.516 -0.516 19749 10938 1 20 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.735 -0.535 19749 10939 1 20 . 1 1 51 51 CYS CB C 51 30.400 30.400 31.641 -1.241 19749 10940 1 20 . 1 1 51 51 CYS H H 51 9.300 9.300 8.645 0.655 19749 10941 1 20 . 1 1 52 52 VAL N N 52 123.100 123.100 124.226 -1.126 19749 10942 1 20 . 1 1 52 52 VAL HA H 52 5.160 5.160 4.831 0.329 19749 10943 1 20 . 1 1 52 52 VAL C C 52 173.800 173.800 174.635 -0.835 19749 10944 1 20 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.977 -2.077 19749 10945 1 20 . 1 1 52 52 VAL CB C 52 36.300 36.300 33.633 2.667 19749 10946 1 20 . 1 1 52 52 VAL H H 52 9.460 9.460 8.738 0.722 19749 10947 1 20 . 1 1 53 53 LEU N N 53 130.700 130.700 130.254 0.446 19749 10948 1 20 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.601 -0.621 19749 10949 1 20 . 1 1 53 53 LEU C C 53 175.200 175.200 174.548 0.652 19749 10950 1 20 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.017 0.983 19749 10951 1 20 . 1 1 53 53 LEU CB C 53 45.300 45.300 44.854 0.446 19749 10952 1 20 . 1 1 53 53 LEU H H 53 9.320 9.320 8.869 0.451 19749 10953 1 20 . 1 1 54 54 TYR N N 54 125.700 125.700 126.651 -0.951 19749 10954 1 20 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.730 0.180 19749 10955 1 20 . 1 1 54 54 TYR C C 54 175.400 175.400 174.272 1.128 19749 10956 1 20 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.798 0.902 19749 10957 1 20 . 1 1 54 54 TYR CB C 54 41.700 41.700 40.092 1.608 19749 10958 1 20 . 1 1 54 54 TYR H H 54 9.260 9.260 8.839 0.421 19749 10959 1 20 . 1 1 55 55 GLN N N 55 129.900 129.900 127.423 2.477 19749 10960 1 20 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.875 -0.175 19749 10961 1 20 . 1 1 55 55 GLN C C 55 175.900 175.900 175.113 0.787 19749 10962 1 20 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.834 -0.134 19749 10963 1 20 . 1 1 55 55 GLN CB C 55 25.600 25.600 25.855 -0.255 19749 10964 1 20 . 1 1 55 55 GLN H H 55 9.750 9.750 8.399 1.351 19749 10965 1 20 . 1 1 56 56 LYS N N 56 107.600 107.600 113.690 -6.090 19749 10966 1 20 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.894 -0.454 19749 10967 1 20 . 1 1 56 56 LYS C C 56 174.800 174.800 175.386 -0.586 19749 10968 1 20 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.640 0.760 19749 10969 1 20 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.255 -1.454 19749 10970 1 20 . 1 1 56 56 LYS H H 56 8.920 8.920 8.778 0.142 19749 10971 1 20 . 1 1 57 57 HIS N N 57 118.200 118.200 118.692 -0.492 19749 10972 1 20 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.809 0.091 19749 10973 1 20 . 1 1 57 57 HIS C C 57 173.400 173.400 173.365 0.035 19749 10974 1 20 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.835 -0.535 19749 10975 1 20 . 1 1 57 57 HIS CB C 57 31.900 31.900 30.578 1.322 19749 10976 1 20 . 1 1 57 57 HIS H H 57 7.980 7.980 7.382 0.598 19749 10977 1 20 . 1 1 58 58 VAL N N 58 124.500 124.500 128.791 -4.291 19749 10978 1 20 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.602 -0.262 19749 10979 1 20 . 1 1 58 58 VAL C C 58 175.700 175.700 174.785 0.915 19749 10980 1 20 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.569 1.531 19749 10981 1 20 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.447 -0.447 19749 10982 1 20 . 1 1 58 58 VAL H H 58 8.800 8.800 8.440 0.360 19749 10983 1 20 . 1 1 59 59 HIS N N 59 132.200 132.200 128.524 3.676 19749 10984 1 20 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.824 -0.304 19749 10985 1 20 . 1 1 59 59 HIS C C 59 174.100 174.100 173.529 0.571 19749 10986 1 20 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.112 1.588 19749 10987 1 20 . 1 1 59 59 HIS CB C 59 32.200 32.200 33.357 -1.157 19749 10988 1 20 . 1 1 59 59 HIS H H 59 9.830 9.830 8.728 1.102 19749 10989 1 20 . 1 1 60 60 THR N N 60 119.300 119.300 116.423 2.877 19749 10990 1 20 . 1 1 60 60 THR HA H 60 5.280 5.280 5.064 0.216 19749 10991 1 20 . 1 1 60 60 THR C C 60 173.700 173.700 173.427 0.273 19749 10992 1 20 . 1 1 60 60 THR CA C 60 62.100 62.100 59.849 2.251 19749 10993 1 20 . 1 1 60 60 THR CB C 60 70.300 70.300 70.190 0.110 19749 10994 1 20 . 1 1 60 60 THR H H 60 8.420 8.420 7.823 0.597 19749 10995 1 20 . 1 1 61 61 TYR N N 61 127.000 127.000 123.165 3.835 19749 10996 1 20 . 1 1 61 61 TYR HA H 61 4.800 4.800 5.074 -0.274 19749 10997 1 20 . 1 1 61 61 TYR C C 61 175.000 175.000 175.397 -0.397 19749 10998 1 20 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.243 0.257 19749 10999 1 20 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.674 1.226 19749 11000 1 20 . 1 1 61 61 TYR H H 61 9.810 9.810 9.009 0.801 19749 11001 1 20 . 1 1 62 62 ARG N N 62 124.200 124.200 123.805 0.395 19749 11002 1 20 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.645 0.065 19749 11003 1 20 . 1 1 62 62 ARG C C 62 175.000 175.000 175.659 -0.659 19749 11004 1 20 . 1 1 62 62 ARG CA C 62 56.900 56.900 55.500 1.400 19749 11005 1 20 . 1 1 62 62 ARG CB C 62 31.500 31.500 29.283 2.217 19749 11006 1 20 . 1 1 62 62 ARG H H 62 9.240 9.240 8.677 0.563 19749 11007 1 20 . 1 1 63 63 ILE N N 63 124.100 124.100 126.335 -2.235 19749 11008 1 20 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.622 0.138 19749 11009 1 20 . 1 1 63 63 ILE C C 63 174.900 174.900 175.474 -0.574 19749 11010 1 20 . 1 1 63 63 ILE CA C 63 60.500 60.500 61.783 -1.283 19749 11011 1 20 . 1 1 63 63 ILE CB C 63 39.600 39.600 38.183 1.417 19749 11012 1 20 . 1 1 63 63 ILE H H 63 8.810 8.810 8.110 0.700 19749 11013 1 20 . 1 1 64 64 LEU N N 64 126.200 126.200 123.171 3.029 19749 11014 1 20 . 1 1 64 64 LEU HA H 64 5.200 5.200 5.100 0.100 19749 11015 1 20 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.503 0.097 19749 11016 1 20 . 1 1 64 64 LEU CB C 64 44.200 44.200 41.822 2.378 19749 11017 1 20 . 1 1 64 64 LEU H H 64 8.660 8.660 8.130 0.530 19749 11018 1 20 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.289 0.941 19749 11019 1 20 . 1 1 65 65 PRO C C 65 177.000 177.000 177.480 -0.480 19749 11020 1 20 . 1 1 65 65 PRO CA C 65 62.500 62.500 64.734 -2.234 19749 11021 1 20 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.298 0.002 19749 11022 1 20 . 1 1 66 66 ASP N N 66 124.500 124.500 115.941 8.559 19749 11023 1 20 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.294 0.606 19749 11024 1 20 . 1 1 66 66 ASP C C 66 177.200 177.200 177.057 0.143 19749 11025 1 20 . 1 1 66 66 ASP CA C 66 52.600 52.600 55.664 -3.064 19749 11026 1 20 . 1 1 66 66 ASP CB C 66 43.000 43.000 39.262 3.738 19749 11027 1 20 . 1 1 66 66 ASP H H 66 8.650 8.650 8.387 0.263 19749 11028 1 20 . 1 1 67 67 GLY N N 67 108.300 108.300 108.578 -0.278 19749 11029 1 20 . 1 1 67 67 GLY C C 67 174.700 174.700 175.239 -0.539 19749 11030 1 20 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.213 0.687 19749 11031 1 20 . 1 1 67 67 GLY H H 67 8.420 8.420 8.028 0.392 19749 11032 1 20 . 1 1 68 68 GLU N N 68 120.300 120.300 117.598 2.702 19749 11033 1 20 . 1 1 68 68 GLU HA H 68 4.340 4.340 3.804 0.536 19749 11034 1 20 . 1 1 68 68 GLU C C 68 176.100 176.100 176.074 0.026 19749 11035 1 20 . 1 1 68 68 GLU CA C 68 56.800 56.800 58.700 -1.900 19749 11036 1 20 . 1 1 68 68 GLU CB C 68 30.300 30.300 28.054 2.246 19749 11037 1 20 . 1 1 68 68 GLU H H 68 8.580 8.580 8.454 0.126 19749 11038 1 20 . 1 1 69 69 ASP N N 69 115.000 115.000 119.585 -4.585 19749 11039 1 20 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.574 -0.054 19749 11040 1 20 . 1 1 69 69 ASP C C 69 175.500 175.500 175.479 0.021 19749 11041 1 20 . 1 1 69 69 ASP CA C 69 55.900 55.900 56.132 -0.232 19749 11042 1 20 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.730 -1.130 19749 11043 1 20 . 1 1 69 69 ASP H H 69 8.360 8.360 8.128 0.232 19749 11044 1 20 . 1 1 70 70 PHE N N 70 117.200 117.200 114.197 3.003 19749 11045 1 20 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.198 -0.208 19749 11046 1 20 . 1 1 70 70 PHE C C 70 175.700 175.700 174.401 1.299 19749 11047 1 20 . 1 1 70 70 PHE CA C 70 57.600 57.600 54.449 3.151 19749 11048 1 20 . 1 1 70 70 PHE CB C 70 41.700 41.700 40.978 0.722 19749 11049 1 20 . 1 1 70 70 PHE H H 70 8.120 8.120 7.522 0.598 19749 11050 1 20 . 1 1 71 71 LEU N N 71 120.900 120.900 118.636 2.264 19749 11051 1 20 . 1 1 71 71 LEU HA H 71 4.950 4.950 4.793 0.157 19749 11052 1 20 . 1 1 71 71 LEU C C 71 175.900 175.900 175.340 0.560 19749 11053 1 20 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.631 0.269 19749 11054 1 20 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.637 3.063 19749 11055 1 20 . 1 1 71 71 LEU H H 71 9.330 9.330 8.580 0.750 19749 11056 1 20 . 1 1 72 72 ALA N N 72 121.500 121.500 127.764 -6.264 19749 11057 1 20 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.993 0.217 19749 11058 1 20 . 1 1 72 72 ALA C C 72 176.900 176.900 176.726 0.174 19749 11059 1 20 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.745 0.756 19749 11060 1 20 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.421 2.579 19749 11061 1 20 . 1 1 72 72 ALA H H 72 8.670 8.670 8.310 0.360 19749 11062 1 20 . 1 1 73 73 VAL N N 73 122.700 122.700 124.907 -2.207 19749 11063 1 20 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.273 0.307 19749 11064 1 20 . 1 1 73 73 VAL C C 73 175.100 175.100 175.764 -0.664 19749 11065 1 20 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.940 -0.140 19749 11066 1 20 . 1 1 73 73 VAL CB C 73 33.800 33.800 32.331 1.469 19749 11067 1 20 . 1 1 73 73 VAL H H 73 9.310 9.310 8.146 1.164 19749 11068 1 20 . 1 1 74 74 GLN N N 74 128.600 128.600 129.035 -0.435 19749 11069 1 20 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.583 0.127 19749 11070 1 20 . 1 1 74 74 GLN C C 74 175.900 175.900 176.313 -0.413 19749 11071 1 20 . 1 1 74 74 GLN CA C 74 55.100 55.100 55.407 -0.307 19749 11072 1 20 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.356 2.344 19749 11073 1 20 . 1 1 74 74 GLN H H 74 9.090 9.090 9.060 0.030 19749 11074 1 20 . 1 1 75 75 THR N N 75 117.700 117.700 120.619 -2.919 19749 11075 1 20 . 1 1 75 75 THR HA H 75 4.490 4.490 4.407 0.083 19749 11076 1 20 . 1 1 75 75 THR C C 75 174.700 174.700 174.690 0.010 19749 11077 1 20 . 1 1 75 75 THR CA C 75 62.200 62.200 65.383 -3.183 19749 11078 1 20 . 1 1 75 75 THR CB C 75 69.800 69.800 69.282 0.518 19749 11079 1 20 . 1 1 75 75 THR H H 75 8.510 8.510 8.342 0.168 19749 11080 1 20 . 1 1 76 76 SER N N 76 115.300 115.300 114.223 1.077 19749 11081 1 20 . 1 1 76 76 SER HA H 76 4.540 4.540 4.783 -0.243 19749 11082 1 20 . 1 1 76 76 SER C C 76 174.200 174.200 173.214 0.986 19749 11083 1 20 . 1 1 76 76 SER CA C 76 58.600 58.600 57.670 0.930 19749 11084 1 20 . 1 1 76 76 SER CB C 76 64.200 64.200 65.373 -1.173 19749 11085 1 20 . 1 1 76 76 SER H H 76 8.250 8.250 8.272 -0.022 19749 11086 1 20 . 1 1 77 77 GLN N N 77 120.500 120.500 124.562 -4.062 19749 11087 1 20 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.189 0.031 19749 11088 1 20 . 1 1 77 77 GLN C C 77 176.900 176.900 176.264 0.636 19749 11089 1 20 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.363 -0.063 19749 11090 1 20 . 1 1 77 77 GLN CB C 77 28.900 28.900 27.838 1.062 19749 11091 1 20 . 1 1 77 77 GLN H H 77 8.510 8.510 8.865 -0.355 19749 11092 1 20 . 1 1 78 78 GLY N N 78 110.300 110.300 110.838 -0.538 19749 11093 1 20 . 1 1 78 78 GLY C C 78 173.800 173.800 173.913 -0.113 19749 11094 1 20 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.152 0.348 19749 11095 1 20 . 1 1 78 78 GLY H H 78 8.610 8.610 8.474 0.136 19749 11096 1 20 . 1 1 79 79 VAL N N 79 119.500 119.500 123.974 -4.474 19749 11097 1 20 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.454 0.096 19749 11098 1 20 . 1 1 79 79 VAL CA C 79 59.500 59.500 59.782 -0.282 19749 11099 1 20 . 1 1 79 79 VAL CB C 79 32.800 32.800 33.233 -0.434 19749 11100 1 20 . 1 1 79 79 VAL H H 79 7.400 7.400 7.903 -0.503 19749 11101 1 20 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.304 0.116 19749 11102 1 20 . 1 1 80 80 PRO C C 80 176.900 176.900 175.977 0.923 19749 11103 1 20 . 1 1 80 80 PRO CA C 80 63.300 63.300 63.430 -0.130 19749 11104 1 20 . 1 1 80 80 PRO CB C 80 32.300 32.300 29.991 2.309 19749 11105 1 20 . 1 1 81 81 VAL N N 81 121.600 121.600 124.102 -2.502 19749 11106 1 20 . 1 1 81 81 VAL HA H 81 4.040 4.040 3.763 0.277 19749 11107 1 20 . 1 1 81 81 VAL C C 81 175.800 175.800 176.193 -0.393 19749 11108 1 20 . 1 1 81 81 VAL CA C 81 63.000 63.000 63.894 -0.894 19749 11109 1 20 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.675 0.125 19749 11110 1 20 . 1 1 81 81 VAL H H 81 8.390 8.390 7.954 0.436 19749 11111 1 20 . 1 1 82 82 ARG N N 82 125.400 125.400 128.423 -3.023 19749 11112 1 20 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.569 -0.119 19749 11113 1 20 . 1 1 82 82 ARG C C 82 173.900 173.900 174.756 -0.856 19749 11114 1 20 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.791 0.209 19749 11115 1 20 . 1 1 82 82 ARG CB C 82 32.300 32.300 32.026 0.274 19749 11116 1 20 . 1 1 82 82 ARG H H 82 8.170 8.170 8.448 -0.278 19749 11117 1 20 . 1 1 83 83 ARG N N 83 121.200 121.200 122.296 -1.096 19749 11118 1 20 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.525 0.805 19749 11119 1 20 . 1 1 83 83 ARG C C 83 175.600 175.600 175.233 0.367 19749 11120 1 20 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.578 -1.078 19749 11121 1 20 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.788 1.712 19749 11122 1 20 . 1 1 83 83 ARG H H 83 8.060 8.060 8.341 -0.281 19749 11123 1 20 . 1 1 84 84 PHE N N 84 118.600 118.600 120.211 -1.611 19749 11124 1 20 . 1 1 84 84 PHE HA H 84 4.950 4.950 5.034 -0.084 19749 11125 1 20 . 1 1 84 84 PHE C C 84 175.200 175.200 174.790 0.410 19749 11126 1 20 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.996 0.104 19749 11127 1 20 . 1 1 84 84 PHE CB C 84 44.500 44.500 43.127 1.373 19749 11128 1 20 . 1 1 84 84 PHE H H 84 9.320 9.320 8.460 0.860 19749 11129 1 20 . 1 1 85 85 GLN N N 85 120.800 120.800 118.720 2.080 19749 11130 1 20 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.731 -0.681 19749 11131 1 20 . 1 1 85 85 GLN C C 85 176.000 176.000 175.380 0.620 19749 11132 1 20 . 1 1 85 85 GLN CA C 85 58.400 58.400 55.475 2.925 19749 11133 1 20 . 1 1 85 85 GLN CB C 85 30.300 30.300 32.220 -1.920 19749 11134 1 20 . 1 1 85 85 GLN H H 85 9.660 9.660 8.982 0.678 19749 11135 1 20 . 1 1 86 86 THR N N 86 103.000 103.000 115.387 -12.387 19749 11136 1 20 . 1 1 86 86 THR HA H 86 4.810 4.810 4.661 0.149 19749 11137 1 20 . 1 1 86 86 THR C C 86 174.500 174.500 174.381 0.119 19749 11138 1 20 . 1 1 86 86 THR CA C 86 58.700 58.700 61.403 -2.703 19749 11139 1 20 . 1 1 86 86 THR CB C 86 73.400 73.400 71.543 1.857 19749 11140 1 20 . 1 1 86 86 THR H H 86 7.260 7.260 7.990 -0.730 19749 11141 1 20 . 1 1 87 87 LEU N N 87 122.200 122.200 125.987 -3.787 19749 11142 1 20 . 1 1 87 87 LEU HA H 87 3.830 3.830 4.042 -0.212 19749 11143 1 20 . 1 1 87 87 LEU C C 87 178.600 178.600 178.524 0.076 19749 11144 1 20 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.733 -0.633 19749 11145 1 20 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.843 0.557 19749 11146 1 20 . 1 1 87 87 LEU H H 87 9.150 9.150 8.870 0.280 19749 11147 1 20 . 1 1 88 88 GLY N N 88 105.200 105.200 105.578 -0.378 19749 11148 1 20 . 1 1 88 88 GLY C C 88 176.900 176.900 176.080 0.820 19749 11149 1 20 . 1 1 88 88 GLY CA C 88 47.400 47.400 46.894 0.506 19749 11150 1 20 . 1 1 88 88 GLY H H 88 8.870 8.870 8.725 0.145 19749 11151 1 20 . 1 1 89 89 GLU N N 89 122.000 122.000 122.282 -0.282 19749 11152 1 20 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.181 -0.251 19749 11153 1 20 . 1 1 89 89 GLU C C 89 177.600 177.600 178.588 -0.988 19749 11154 1 20 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.455 0.445 19749 11155 1 20 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.617 1.383 19749 11156 1 20 . 1 1 89 89 GLU H H 89 7.670 7.670 7.564 0.106 19749 11157 1 20 . 1 1 90 90 LEU N N 90 122.300 122.300 121.635 0.665 19749 11158 1 20 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.990 -0.560 19749 11159 1 20 . 1 1 90 90 LEU C C 90 177.200 177.200 178.085 -0.885 19749 11160 1 20 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.858 0.841 19749 11161 1 20 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.374 0.726 19749 11162 1 20 . 1 1 90 90 LEU H H 90 6.880 6.880 7.364 -0.484 19749 11163 1 20 . 1 1 91 91 ILE N N 91 118.800 118.800 117.007 1.793 19749 11164 1 20 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.665 -0.555 19749 11165 1 20 . 1 1 91 91 ILE C C 91 177.700 177.700 178.534 -0.834 19749 11166 1 20 . 1 1 91 91 ILE CA C 91 61.400 61.400 63.290 -1.890 19749 11167 1 20 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.057 -0.657 19749 11168 1 20 . 1 1 91 91 ILE H H 91 7.880 7.880 7.958 -0.078 19749 11169 1 20 . 1 1 92 92 GLY N N 92 103.900 103.900 108.956 -5.056 19749 11170 1 20 . 1 1 92 92 GLY C C 92 176.400 176.400 175.885 0.515 19749 11171 1 20 . 1 1 92 92 GLY CA C 92 46.800 46.800 47.176 -0.376 19749 11172 1 20 . 1 1 92 92 GLY H H 92 7.570 7.570 7.826 -0.256 19749 11173 1 20 . 1 1 93 93 LEU N N 93 123.200 123.200 121.296 1.904 19749 11174 1 20 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.415 -0.335 19749 11175 1 20 . 1 1 93 93 LEU C C 93 179.100 179.100 179.495 -0.395 19749 11176 1 20 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.608 -0.208 19749 11177 1 20 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.218 -1.417 19749 11178 1 20 . 1 1 93 93 LEU H H 93 7.360 7.360 8.012 -0.652 19749 11179 1 20 . 1 1 94 94 TYR N N 94 114.000 114.000 118.281 -4.281 19749 11180 1 20 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.501 -0.271 19749 11181 1 20 . 1 1 94 94 TYR C C 94 175.600 175.600 177.935 -2.335 19749 11182 1 20 . 1 1 94 94 TYR CA C 94 60.200 60.200 60.100 0.100 19749 11183 1 20 . 1 1 94 94 TYR CB C 94 36.600 36.600 37.437 -0.837 19749 11184 1 20 . 1 1 94 94 TYR H H 94 7.380 7.380 8.208 -0.828 19749 11185 1 20 . 1 1 95 95 ALA N N 95 123.100 123.100 120.576 2.524 19749 11186 1 20 . 1 1 95 95 ALA HA H 95 4.360 4.360 3.970 0.390 19749 11187 1 20 . 1 1 95 95 ALA C C 95 177.300 177.300 177.844 -0.544 19749 11188 1 20 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.182 0.718 19749 11189 1 20 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.422 0.578 19749 11190 1 20 . 1 1 95 95 ALA H H 95 7.330 7.330 7.361 -0.031 19749 11191 1 20 . 1 1 96 96 GLN N N 96 116.500 116.500 119.754 -3.254 19749 11192 1 20 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.506 0.034 19749 11193 1 20 . 1 1 96 96 GLN CA C 96 53.000 53.000 53.603 -0.603 19749 11194 1 20 . 1 1 96 96 GLN CB C 96 28.600 28.600 28.582 0.018 19749 11195 1 20 . 1 1 96 96 GLN H H 96 7.620 7.620 7.338 0.282 19749 11196 1 20 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.242 -0.002 19749 11197 1 20 . 1 1 97 97 PRO C C 97 176.800 176.800 177.256 -0.456 19749 11198 1 20 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.508 0.292 19749 11199 1 20 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.384 0.416 19749 11200 1 20 . 1 1 98 98 ASN N N 98 114.900 114.900 117.234 -2.334 19749 11201 1 20 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.317 0.163 19749 11202 1 20 . 1 1 98 98 ASN C C 98 175.100 175.100 174.419 0.681 19749 11203 1 20 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.420 -0.121 19749 11204 1 20 . 1 1 98 98 ASN CB C 98 36.900 36.900 36.679 0.221 19749 11205 1 20 . 1 1 98 98 ASN H H 98 8.960 8.960 8.795 0.165 19749 11206 1 20 . 1 1 99 99 GLN N N 99 115.400 115.400 117.062 -1.662 19749 11207 1 20 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.498 0.002 19749 11208 1 20 . 1 1 99 99 GLN C C 99 176.100 176.100 176.115 -0.015 19749 11209 1 20 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.953 -1.653 19749 11210 1 20 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.948 -0.348 19749 11211 1 20 . 1 1 99 99 GLN H H 99 8.610 8.610 8.328 0.282 19749 11212 1 20 . 1 1 100 100 GLY N N 100 107.400 107.400 107.542 -0.142 19749 11213 1 20 . 1 1 100 100 GLY C C 100 174.600 174.600 173.449 1.151 19749 11214 1 20 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.064 0.336 19749 11215 1 20 . 1 1 100 100 GLY H H 100 8.460 8.460 7.805 0.655 19749 11216 1 20 . 1 1 101 101 LEU N N 101 118.400 118.400 123.132 -4.732 19749 11217 1 20 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.693 -0.313 19749 11218 1 20 . 1 1 101 101 LEU C C 101 178.000 178.000 178.624 -0.624 19749 11219 1 20 . 1 1 101 101 LEU CA C 101 52.900 52.900 53.500 -0.600 19749 11220 1 20 . 1 1 101 101 LEU CB C 101 42.400 42.400 41.203 1.198 19749 11221 1 20 . 1 1 101 101 LEU H H 101 8.020 8.020 7.893 0.127 19749 11222 1 20 . 1 1 102 102 VAL N N 102 114.700 114.700 123.240 -8.540 19749 11223 1 20 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.622 -0.032 19749 11224 1 20 . 1 1 102 102 VAL C C 102 173.600 173.600 175.962 -2.362 19749 11225 1 20 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.934 -1.334 19749 11226 1 20 . 1 1 102 102 VAL CB C 102 31.100 31.100 31.609 -0.509 19749 11227 1 20 . 1 1 102 102 VAL H H 102 7.260 7.260 8.985 -1.725 19749 11228 1 20 . 1 1 103 103 CYS N N 103 112.400 112.400 115.700 -3.300 19749 11229 1 20 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.253 -0.013 19749 11230 1 20 . 1 1 103 103 CYS C C 103 170.600 170.600 174.561 -3.961 19749 11231 1 20 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.369 -1.269 19749 11232 1 20 . 1 1 103 103 CYS CB C 103 29.600 29.600 27.881 1.719 19749 11233 1 20 . 1 1 103 103 CYS H H 103 6.920 6.920 7.635 -0.715 19749 11234 1 20 . 1 1 104 104 ALA N N 104 119.600 119.600 122.157 -2.557 19749 11235 1 20 . 1 1 104 104 ALA HA H 104 4.210 4.210 3.914 0.296 19749 11236 1 20 . 1 1 104 104 ALA C C 104 176.300 176.300 176.362 -0.062 19749 11237 1 20 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.953 -1.353 19749 11238 1 20 . 1 1 104 104 ALA CB C 104 19.400 19.400 17.847 1.553 19749 11239 1 20 . 1 1 104 104 ALA H H 104 7.840 7.840 7.240 0.600 19749 11240 1 20 . 1 1 105 105 LEU N N 105 117.100 117.100 120.947 -3.847 19749 11241 1 20 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.833 -0.053 19749 11242 1 20 . 1 1 105 105 LEU C C 105 175.400 175.400 177.297 -1.897 19749 11243 1 20 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.871 -1.271 19749 11244 1 20 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.810 -2.410 19749 11245 1 20 . 1 1 105 105 LEU H H 105 7.610 7.610 8.344 -0.734 19749 11246 1 20 . 1 1 106 106 LEU N N 106 124.700 124.700 128.278 -3.578 19749 11247 1 20 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.384 0.216 19749 11248 1 20 . 1 1 106 106 LEU C C 106 177.600 177.600 176.700 0.900 19749 11249 1 20 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.594 -0.294 19749 11250 1 20 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.565 2.435 19749 11251 1 20 . 1 1 106 106 LEU H H 106 8.160 8.160 8.522 -0.362 19749 11252 1 20 . 1 1 107 107 LEU N N 107 121.400 121.400 112.778 8.622 19749 11253 1 20 . 1 1 107 107 LEU HA H 107 5.110 5.110 5.108 0.002 19749 11254 1 20 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.005 -0.305 19749 11255 1 20 . 1 1 107 107 LEU CB C 107 44.600 44.600 44.523 0.077 19749 11256 1 20 . 1 1 107 107 LEU H H 107 7.930 7.930 8.134 -0.204 19749 11257 1 20 . 1 1 108 108 PRO HA H 108 3.430 3.430 4.593 -1.163 19749 11258 1 20 . 1 1 108 108 PRO C C 108 176.500 176.500 176.824 -0.324 19749 11259 1 20 . 1 1 108 108 PRO CA C 108 62.400 62.400 61.827 0.573 19749 11260 1 20 . 1 1 108 108 PRO CB C 108 32.800 32.800 32.155 0.645 19749 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 94 3.799 0.607 3.770 19749 2 1 1 "Average Difference" HA 90 0.280 -0.007 0.281 19749 3 1 1 "Average Difference" C 95 1.129 -0.032 1.134 19749 4 1 1 "Average Difference" CA 99 1.190 -0.046 1.195 19749 5 1 1 "Average Difference" CB 91 1.368 -0.320 1.337 19749 6 1 1 "Average Difference" HN 94 0.544 -0.143 0.527 19749 7 1 2 "Average Difference" N 94 3.638 0.119 3.656 19749 8 1 2 "Average Difference" HA 90 0.273 -0.014 0.274 19749 9 1 2 "Average Difference" C 95 1.096 -0.025 1.101 19749 10 1 2 "Average Difference" CA 99 1.304 -0.157 1.301 19749 11 1 2 "Average Difference" CB 91 1.282 -0.385 1.230 19749 12 1 2 "Average Difference" HN 94 0.594 -0.209 0.559 19749 13 1 3 "Average Difference" N 94 3.832 0.520 3.817 19749 14 1 3 "Average Difference" HA 90 0.274 -0.003 0.275 19749 15 1 3 "Average Difference" C 95 1.026 0.003 1.032 19749 16 1 3 "Average Difference" CA 99 1.185 -0.148 1.182 19749 17 1 3 "Average Difference" CB 91 1.396 -0.290 1.373 19749 18 1 3 "Average Difference" HN 94 0.534 -0.145 0.517 19749 19 1 4 "Average Difference" N 94 3.242 0.693 3.184 19749 20 1 4 "Average Difference" HA 90 0.268 0.005 0.269 19749 21 1 4 "Average Difference" C 95 1.016 -0.059 1.020 19749 22 1 4 "Average Difference" CA 99 1.307 -0.236 1.292 19749 23 1 4 "Average Difference" CB 91 1.387 -0.313 1.358 19749 24 1 4 "Average Difference" HN 94 0.548 -0.147 0.531 19749 25 1 5 "Average Difference" N 94 3.740 0.641 3.704 19749 26 1 5 "Average Difference" HA 90 0.302 0.013 0.304 19749 27 1 5 "Average Difference" C 95 1.068 -0.072 1.071 19749 28 1 5 "Average Difference" CA 99 1.229 -0.144 1.226 19749 29 1 5 "Average Difference" CB 91 1.409 -0.198 1.402 19749 30 1 5 "Average Difference" HN 94 0.576 -0.163 0.556 19749 31 1 6 "Average Difference" N 94 3.705 0.377 3.706 19749 32 1 6 "Average Difference" HA 90 0.320 -0.078 0.312 19749 33 1 6 "Average Difference" C 95 1.144 -0.098 1.146 19749 34 1 6 "Average Difference" CA 99 1.159 -0.140 1.156 19749 35 1 6 "Average Difference" CB 91 1.409 -0.540 1.309 19749 36 1 6 "Average Difference" HN 94 0.536 -0.197 0.502 19749 37 1 7 "Average Difference" N 94 3.367 0.797 3.289 19749 38 1 7 "Average Difference" HA 90 0.281 0.017 0.282 19749 39 1 7 "Average Difference" C 95 1.056 -0.022 1.062 19749 40 1 7 "Average Difference" CA 99 1.268 -0.102 1.271 19749 41 1 7 "Average Difference" CB 91 1.317 -0.332 1.282 19749 42 1 7 "Average Difference" HN 94 0.584 -0.173 0.561 19749 43 1 8 "Average Difference" N 94 3.531 0.476 3.517 19749 44 1 8 "Average Difference" HA 90 0.325 -0.023 0.326 19749 45 1 8 "Average Difference" C 95 1.106 -0.168 1.099 19749 46 1 8 "Average Difference" CA 99 1.283 -0.140 1.282 19749 47 1 8 "Average Difference" CB 91 1.256 -0.132 1.256 19749 48 1 8 "Average Difference" HN 94 0.584 -0.199 0.552 19749 49 1 9 "Average Difference" N 94 4.011 0.923 3.924 19749 50 1 9 "Average Difference" HA 90 0.325 -0.022 0.326 19749 51 1 9 "Average Difference" C 95 1.069 -0.074 1.072 19749 52 1 9 "Average Difference" CA 99 1.217 -0.134 1.216 19749 53 1 9 "Average Difference" CB 91 1.365 -0.297 1.339 19749 54 1 9 "Average Difference" HN 94 0.583 -0.151 0.566 19749 55 1 10 "Average Difference" N 94 3.387 0.267 3.394 19749 56 1 10 "Average Difference" HA 90 0.338 -0.007 0.340 19749 57 1 10 "Average Difference" C 95 1.215 -0.192 1.206 19749 58 1 10 "Average Difference" CA 99 1.175 -0.166 1.169 19749 59 1 10 "Average Difference" CB 91 1.274 -0.263 1.253 19749 60 1 10 "Average Difference" HN 94 0.545 -0.153 0.526 19749 61 1 11 "Average Difference" N 94 3.585 0.365 3.586 19749 62 1 11 "Average Difference" HA 90 0.269 -0.003 0.271 19749 63 1 11 "Average Difference" C 95 1.053 -0.133 1.050 19749 64 1 11 "Average Difference" CA 99 1.112 -0.059 1.116 19749 65 1 11 "Average Difference" CB 91 1.431 -0.229 1.421 19749 66 1 11 "Average Difference" HN 94 0.526 -0.136 0.511 19749 67 1 12 "Average Difference" N 94 3.578 0.547 3.555 19749 68 1 12 "Average Difference" HA 90 0.304 -0.013 0.305 19749 69 1 12 "Average Difference" C 95 1.025 -0.023 1.030 19749 70 1 12 "Average Difference" CA 99 1.216 -0.249 1.196 19749 71 1 12 "Average Difference" CB 91 1.333 -0.307 1.305 19749 72 1 12 "Average Difference" HN 94 0.574 -0.194 0.542 19749 73 1 13 "Average Difference" N 94 3.531 0.634 3.492 19749 74 1 13 "Average Difference" HA 90 0.314 0.001 0.316 19749 75 1 13 "Average Difference" C 95 0.986 -0.078 0.988 19749 76 1 13 "Average Difference" CA 99 1.326 -0.178 1.321 19749 77 1 13 "Average Difference" CB 91 1.434 -0.332 1.403 19749 78 1 13 "Average Difference" HN 94 0.599 -0.197 0.569 19749 79 1 14 "Average Difference" N 94 3.164 0.328 3.164 19749 80 1 14 "Average Difference" HA 90 0.301 -0.012 0.302 19749 81 1 14 "Average Difference" C 95 1.221 -0.115 1.222 19749 82 1 14 "Average Difference" CA 99 1.083 -0.048 1.087 19749 83 1 14 "Average Difference" CB 91 1.476 -0.407 1.427 19749 84 1 14 "Average Difference" HN 94 0.567 -0.174 0.543 19749 85 1 15 "Average Difference" N 94 3.278 0.627 3.235 19749 86 1 15 "Average Difference" HA 90 0.266 0.008 0.268 19749 87 1 15 "Average Difference" C 95 1.047 -0.100 1.048 19749 88 1 15 "Average Difference" CA 99 1.170 -0.190 1.160 19749 89 1 15 "Average Difference" CB 91 1.294 -0.242 1.278 19749 90 1 15 "Average Difference" HN 94 0.588 -0.202 0.556 19749 91 1 16 "Average Difference" N 94 3.456 0.701 3.403 19749 92 1 16 "Average Difference" HA 90 0.330 -0.021 0.331 19749 93 1 16 "Average Difference" C 95 1.130 -0.140 1.127 19749 94 1 16 "Average Difference" CA 99 1.318 -0.137 1.317 19749 95 1 16 "Average Difference" CB 91 1.349 -0.352 1.310 19749 96 1 16 "Average Difference" HN 94 0.584 -0.166 0.563 19749 97 1 17 "Average Difference" N 94 4.021 0.415 4.021 19749 98 1 17 "Average Difference" HA 90 0.284 -0.038 0.283 19749 99 1 17 "Average Difference" C 95 1.046 -0.017 1.052 19749 100 1 17 "Average Difference" CA 99 1.299 -0.060 1.304 19749 101 1 17 "Average Difference" CB 91 1.481 -0.475 1.411 19749 102 1 17 "Average Difference" HN 94 0.569 -0.190 0.539 19749 103 1 18 "Average Difference" N 94 3.924 0.438 3.920 19749 104 1 18 "Average Difference" HA 90 0.263 -0.041 0.261 19749 105 1 18 "Average Difference" C 95 1.066 0.003 1.072 19749 106 1 18 "Average Difference" CA 99 1.240 -0.103 1.242 19749 107 1 18 "Average Difference" CB 91 1.326 -0.405 1.270 19749 108 1 18 "Average Difference" HN 94 0.544 -0.163 0.522 19749 109 1 19 "Average Difference" N 94 3.441 0.608 3.406 19749 110 1 19 "Average Difference" HA 90 0.304 0.017 0.305 19749 111 1 19 "Average Difference" C 95 1.039 -0.098 1.040 19749 112 1 19 "Average Difference" CA 99 1.165 -0.108 1.166 19749 113 1 19 "Average Difference" CB 91 1.261 -0.244 1.244 19749 114 1 19 "Average Difference" HN 94 0.597 -0.158 0.579 19749 115 1 20 "Average Difference" N 94 3.710 0.635 3.675 19749 116 1 20 "Average Difference" HA 90 0.345 -0.009 0.347 19749 117 1 20 "Average Difference" C 95 1.135 -0.051 1.140 19749 118 1 20 "Average Difference" CA 99 1.337 0.051 1.343 19749 119 1 20 "Average Difference" CB 91 1.343 -0.410 1.286 19749 120 1 20 "Average Difference" HN 94 0.636 -0.179 0.613 19749 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 19749 _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 10 10 HIS C C 10 175.000 175.000 174.810 0.190 19749 2 1 . 1 1 10 10 HIS CA C 10 55.900 55.900 55.948 -0.048 19749 3 1 . 1 1 10 10 HIS CB C 10 29.900 29.900 29.924 -0.024 19749 4 1 . 1 1 11 11 MET N N 11 120.400 120.400 121.649 -1.249 19749 5 1 . 1 1 11 11 MET HA H 11 4.000 4.000 4.350 -0.350 19749 6 1 . 1 1 11 11 MET C C 11 177.500 177.500 175.459 2.041 19749 7 1 . 1 1 11 11 MET CA C 11 54.100 54.100 55.568 -1.468 19749 8 1 . 1 1 11 11 MET CB C 11 31.500 31.500 32.245 -0.745 19749 9 1 . 1 1 11 11 MET H H 11 7.800 7.800 8.263 -0.463 19749 10 1 . 1 1 12 12 SER N N 12 118.600 118.600 116.864 1.736 19749 11 1 . 1 1 12 12 SER HA H 12 3.860 3.860 4.197 -0.337 19749 12 1 . 1 1 12 12 SER C C 12 173.900 173.900 174.215 -0.315 19749 13 1 . 1 1 12 12 SER CA C 12 61.200 61.200 58.131 3.070 19749 14 1 . 1 1 12 12 SER CB C 12 62.500 62.500 63.569 -1.070 19749 15 1 . 1 1 12 12 SER H H 12 8.520 8.520 8.028 0.492 19749 16 1 . 1 1 13 13 TRP N N 13 113.400 113.400 118.884 -5.484 19749 17 1 . 1 1 13 13 TRP HA H 13 4.890 4.890 4.582 0.308 19749 18 1 . 1 1 13 13 TRP C C 13 176.000 176.000 175.120 0.880 19749 19 1 . 1 1 13 13 TRP CA C 13 53.800 53.800 56.524 -2.724 19749 20 1 . 1 1 13 13 TRP CB C 13 30.100 30.100 29.194 0.906 19749 21 1 . 1 1 13 13 TRP H H 13 6.180 6.180 7.532 -1.353 19749 22 1 . 1 1 14 14 TYR N N 14 123.200 123.200 123.549 -0.349 19749 23 1 . 1 1 14 14 TYR HA H 14 5.570 5.570 5.138 0.432 19749 24 1 . 1 1 14 14 TYR C C 14 174.700 174.700 174.377 0.323 19749 25 1 . 1 1 14 14 TYR CA C 14 56.000 56.000 57.074 -1.074 19749 26 1 . 1 1 14 14 TYR CB C 14 37.900 37.900 38.742 -0.842 19749 27 1 . 1 1 14 14 TYR H H 14 7.430 7.430 7.277 0.153 19749 28 1 . 1 1 15 15 HIS N N 15 126.900 126.900 127.029 -0.130 19749 29 1 . 1 1 15 15 HIS HA H 15 4.550 4.550 4.752 -0.202 19749 30 1 . 1 1 15 15 HIS C C 15 173.300 173.300 174.678 -1.378 19749 31 1 . 1 1 15 15 HIS CA C 15 53.100 53.100 54.909 -1.809 19749 32 1 . 1 1 15 15 HIS CB C 15 30.400 30.400 31.805 -1.405 19749 33 1 . 1 1 15 15 HIS H H 15 8.680 8.680 8.362 0.318 19749 34 1 . 1 1 16 16 ARG N N 16 122.500 122.500 123.413 -0.913 19749 35 1 . 1 1 16 16 ARG HA H 16 3.950 3.950 4.080 -0.130 19749 36 1 . 1 1 16 16 ARG C C 16 176.100 176.100 176.039 0.061 19749 37 1 . 1 1 16 16 ARG CA C 16 57.300 57.300 57.664 -0.364 19749 38 1 . 1 1 16 16 ARG CB C 16 30.100 30.100 30.490 -0.390 19749 39 1 . 1 1 16 16 ARG H H 16 7.740 7.740 8.439 -0.699 19749 40 1 . 1 1 17 17 ASP N N 17 119.100 119.100 118.226 0.874 19749 41 1 . 1 1 17 17 ASP HA H 17 4.520 4.520 4.559 -0.039 19749 42 1 . 1 1 17 17 ASP C C 17 174.900 174.900 175.333 -0.433 19749 43 1 . 1 1 17 17 ASP CA C 17 54.800 54.800 54.515 0.285 19749 44 1 . 1 1 17 17 ASP CB C 17 39.900 39.900 40.479 -0.579 19749 45 1 . 1 1 17 17 ASP H H 17 8.900 8.900 8.341 0.559 19749 46 1 . 1 1 18 18 LEU N N 18 121.000 121.000 122.586 -1.586 19749 47 1 . 1 1 18 18 LEU HA H 18 4.510 4.510 4.501 0.009 19749 48 1 . 1 1 18 18 LEU C C 18 176.300 176.300 175.644 0.656 19749 49 1 . 1 1 18 18 LEU CA C 18 54.500 54.500 54.609 -0.109 19749 50 1 . 1 1 18 18 LEU CB C 18 44.800 44.800 43.833 0.967 19749 51 1 . 1 1 18 18 LEU H H 18 7.280 7.280 7.765 -0.485 19749 52 1 . 1 1 19 19 SER N N 19 123.400 123.400 116.616 6.784 19749 53 1 . 1 1 19 19 SER HA H 19 4.440 4.440 4.474 -0.034 19749 54 1 . 1 1 19 19 SER C C 19 173.900 173.900 175.270 -1.370 19749 55 1 . 1 1 19 19 SER CA C 19 57.700 57.700 57.869 -0.169 19749 56 1 . 1 1 19 19 SER CB C 19 65.200 65.200 64.248 0.952 19749 57 1 . 1 1 19 19 SER H H 19 8.650 8.650 8.257 0.393 19749 58 1 . 1 1 20 20 ARG N N 20 121.700 121.700 123.944 -2.244 19749 59 1 . 1 1 20 20 ARG HA H 20 3.710 3.710 4.005 -0.295 19749 60 1 . 1 1 20 20 ARG C C 20 178.200 178.200 177.967 0.233 19749 61 1 . 1 1 20 20 ARG CA C 20 60.600 60.600 59.773 0.827 19749 62 1 . 1 1 20 20 ARG CB C 20 30.100 30.100 30.039 0.061 19749 63 1 . 1 1 20 20 ARG H H 20 8.970 8.970 8.812 0.158 19749 64 1 . 1 1 21 21 ALA N N 21 119.900 119.900 121.445 -1.545 19749 65 1 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.119 -0.079 19749 66 1 . 1 1 21 21 ALA C C 21 180.600 180.600 179.354 1.246 19749 67 1 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.917 0.283 19749 68 1 . 1 1 21 21 ALA CB C 21 18.300 18.300 18.044 0.256 19749 69 1 . 1 1 21 21 ALA H H 21 8.670 8.670 8.394 0.276 19749 70 1 . 1 1 22 22 ALA N N 22 121.000 121.000 120.323 0.677 19749 71 1 . 1 1 22 22 ALA HA H 22 4.130 4.130 4.118 0.012 19749 72 1 . 1 1 22 22 ALA C C 22 180.900 180.900 179.430 1.470 19749 73 1 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.291 0.409 19749 74 1 . 1 1 22 22 ALA CB C 22 19.000 19.000 18.248 0.752 19749 75 1 . 1 1 22 22 ALA H H 22 7.890 7.890 8.071 -0.181 19749 76 1 . 1 1 23 23 ALA N N 23 121.700 121.700 122.206 -0.506 19749 77 1 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.981 -0.101 19749 78 1 . 1 1 23 23 ALA C C 23 178.700 178.700 179.490 -0.790 19749 79 1 . 1 1 23 23 ALA CA C 23 55.100 55.100 55.080 0.020 19749 80 1 . 1 1 23 23 ALA CB C 23 19.200 19.200 18.369 0.831 19749 81 1 . 1 1 23 23 ALA H H 23 8.570 8.570 8.021 0.549 19749 82 1 . 1 1 24 24 GLU N N 24 116.500 116.500 118.660 -2.160 19749 83 1 . 1 1 24 24 GLU HA H 24 3.760 3.760 3.968 -0.208 19749 84 1 . 1 1 24 24 GLU C C 24 178.900 178.900 178.860 0.040 19749 85 1 . 1 1 24 24 GLU CA C 24 60.500 60.500 59.290 1.210 19749 86 1 . 1 1 24 24 GLU CB C 24 28.500 28.500 29.312 -0.812 19749 87 1 . 1 1 24 24 GLU H H 24 8.200 8.200 8.218 -0.018 19749 88 1 . 1 1 25 25 GLU N N 25 120.000 120.000 120.347 -0.347 19749 89 1 . 1 1 25 25 GLU HA H 25 4.060 4.060 4.086 -0.026 19749 90 1 . 1 1 25 25 GLU C C 25 178.400 178.400 178.881 -0.481 19749 91 1 . 1 1 25 25 GLU CA C 25 59.400 59.400 58.968 0.432 19749 92 1 . 1 1 25 25 GLU CB C 25 29.500 29.500 29.619 -0.119 19749 93 1 . 1 1 25 25 GLU H H 25 7.690 7.690 7.669 0.021 19749 94 1 . 1 1 26 26 LEU N N 26 120.200 120.200 120.589 -0.389 19749 95 1 . 1 1 26 26 LEU HA H 26 3.910 3.910 4.030 -0.120 19749 96 1 . 1 1 26 26 LEU C C 26 180.200 180.200 179.072 1.128 19749 97 1 . 1 1 26 26 LEU CA C 26 58.200 58.200 57.675 0.525 19749 98 1 . 1 1 26 26 LEU CB C 26 42.400 42.400 41.590 0.810 19749 99 1 . 1 1 26 26 LEU H H 26 7.840 7.840 7.886 -0.046 19749 100 1 . 1 1 27 27 LEU N N 27 117.800 117.800 118.955 -1.155 19749 101 1 . 1 1 27 27 LEU HA H 27 3.980 3.980 3.940 0.040 19749 102 1 . 1 1 27 27 LEU C C 27 177.800 177.800 178.941 -1.141 19749 103 1 . 1 1 27 27 LEU CA C 27 57.600 57.600 57.898 -0.298 19749 104 1 . 1 1 27 27 LEU CB C 27 41.900 41.900 41.342 0.558 19749 105 1 . 1 1 27 27 LEU H H 27 7.960 7.960 8.079 -0.119 19749 106 1 . 1 1 28 28 ALA N N 28 120.600 120.600 120.632 -0.032 19749 107 1 . 1 1 28 28 ALA HA H 28 3.900 3.900 4.057 -0.157 19749 108 1 . 1 1 28 28 ALA C C 28 180.900 180.900 179.143 1.758 19749 109 1 . 1 1 28 28 ALA CA C 28 55.200 55.200 54.769 0.431 19749 110 1 . 1 1 28 28 ALA CB C 28 17.900 17.900 18.487 -0.587 19749 111 1 . 1 1 28 28 ALA H H 28 8.160 8.160 7.871 0.289 19749 112 1 . 1 1 29 29 ARG N N 29 116.200 116.200 117.671 -1.471 19749 113 1 . 1 1 29 29 ARG HA H 29 3.960 3.960 4.196 -0.236 19749 114 1 . 1 1 29 29 ARG C C 29 178.000 178.000 177.924 0.076 19749 115 1 . 1 1 29 29 ARG CA C 29 58.600 58.600 58.268 0.332 19749 116 1 . 1 1 29 29 ARG CB C 29 30.300 30.300 30.600 -0.300 19749 117 1 . 1 1 29 29 ARG H H 29 7.760 7.760 8.009 -0.249 19749 118 1 . 1 1 30 30 ALA N N 30 123.200 123.200 120.180 3.020 19749 119 1 . 1 1 30 30 ALA HA H 30 4.200 4.200 4.367 -0.167 19749 120 1 . 1 1 30 30 ALA C C 30 182.000 182.000 178.665 3.335 19749 121 1 . 1 1 30 30 ALA CA C 30 54.900 54.900 53.550 1.350 19749 122 1 . 1 1 30 30 ALA CB C 30 18.700 18.700 19.365 -0.665 19749 123 1 . 1 1 30 30 ALA H H 30 7.580 7.580 7.808 -0.228 19749 124 1 . 1 1 31 31 GLY N N 31 102.400 102.400 106.194 -3.794 19749 125 1 . 1 1 31 31 GLY C C 31 174.800 174.800 174.411 0.389 19749 126 1 . 1 1 31 31 GLY CA C 31 48.100 48.100 44.758 3.342 19749 127 1 . 1 1 31 31 GLY H H 31 7.690 7.690 7.836 -0.146 19749 128 1 . 1 1 32 32 ARG N N 32 121.100 121.100 120.662 0.438 19749 129 1 . 1 1 32 32 ARG HA H 32 4.460 4.460 4.098 0.362 19749 130 1 . 1 1 32 32 ARG C C 32 176.500 176.500 174.494 2.006 19749 131 1 . 1 1 32 32 ARG CA C 32 55.400 55.400 57.178 -1.778 19749 132 1 . 1 1 32 32 ARG CB C 32 32.600 32.600 30.076 2.524 19749 133 1 . 1 1 32 32 ARG H H 32 7.040 7.040 8.291 -1.251 19749 134 1 . 1 1 33 33 ASP N N 33 126.100 126.100 118.403 7.697 19749 135 1 . 1 1 33 33 ASP HA H 33 4.770 4.770 4.654 0.116 19749 136 1 . 1 1 33 33 ASP C C 33 176.800 176.800 176.159 0.641 19749 137 1 . 1 1 33 33 ASP CA C 33 56.000 56.000 54.921 1.079 19749 138 1 . 1 1 33 33 ASP CB C 33 41.000 41.000 42.256 -1.256 19749 139 1 . 1 1 33 33 ASP H H 33 9.110 9.110 7.994 1.116 19749 140 1 . 1 1 34 34 GLY N N 34 109.400 109.400 112.089 -2.689 19749 141 1 . 1 1 34 34 GLY C C 34 175.800 175.800 174.651 1.148 19749 142 1 . 1 1 34 34 GLY CA C 34 46.000 46.000 45.824 0.176 19749 143 1 . 1 1 34 34 GLY H H 34 9.440 9.440 8.619 0.821 19749 144 1 . 1 1 35 35 SER N N 35 120.400 120.400 117.168 3.232 19749 145 1 . 1 1 35 35 SER HA H 35 5.990 5.990 5.504 0.486 19749 146 1 . 1 1 35 35 SER C C 35 173.400 173.400 174.004 -0.604 19749 147 1 . 1 1 35 35 SER CA C 35 59.800 59.800 58.266 1.534 19749 148 1 . 1 1 35 35 SER CB C 35 63.700 63.700 64.007 -0.307 19749 149 1 . 1 1 35 35 SER H H 35 8.050 8.050 7.692 0.358 19749 150 1 . 1 1 36 36 PHE N N 36 122.000 122.000 119.974 2.026 19749 151 1 . 1 1 36 36 PHE HA H 36 6.040 6.040 5.925 0.115 19749 152 1 . 1 1 36 36 PHE C C 36 170.900 170.900 173.308 -2.408 19749 153 1 . 1 1 36 36 PHE CA C 36 56.300 56.300 55.647 0.653 19749 154 1 . 1 1 36 36 PHE CB C 36 44.400 44.400 42.974 1.426 19749 155 1 . 1 1 36 36 PHE H H 36 8.730 8.730 8.466 0.264 19749 156 1 . 1 1 37 37 LEU N N 37 112.500 112.500 115.345 -2.845 19749 157 1 . 1 1 37 37 LEU HA H 37 5.050 5.050 5.069 -0.019 19749 158 1 . 1 1 37 37 LEU C C 37 175.100 175.100 174.728 0.372 19749 159 1 . 1 1 37 37 LEU CA C 37 54.500 54.500 54.220 0.280 19749 160 1 . 1 1 37 37 LEU CB C 37 45.200 45.200 45.414 -0.214 19749 161 1 . 1 1 37 37 LEU H H 37 9.000 9.000 8.787 0.213 19749 162 1 . 1 1 38 38 VAL N N 38 120.200 120.200 119.461 0.739 19749 163 1 . 1 1 38 38 VAL HA H 38 5.480 5.480 5.343 0.137 19749 164 1 . 1 1 38 38 VAL C C 38 173.600 173.600 175.442 -1.842 19749 165 1 . 1 1 38 38 VAL CA C 38 61.200 61.200 61.031 0.169 19749 166 1 . 1 1 38 38 VAL CB C 38 35.200 35.200 34.777 0.423 19749 167 1 . 1 1 38 38 VAL H H 38 9.830 9.830 8.779 1.051 19749 168 1 . 1 1 39 39 ARG N N 39 124.000 124.000 122.749 1.251 19749 169 1 . 1 1 39 39 ARG HA H 39 5.520 5.520 5.121 0.399 19749 170 1 . 1 1 39 39 ARG C C 39 174.700 174.700 174.491 0.209 19749 171 1 . 1 1 39 39 ARG CA C 39 52.800 52.800 53.574 -0.774 19749 172 1 . 1 1 39 39 ARG CB C 39 34.200 34.200 33.631 0.569 19749 173 1 . 1 1 39 39 ARG H H 39 9.240 9.240 9.153 0.087 19749 174 1 . 1 1 40 40 ASP N N 40 122.800 122.800 120.471 2.329 19749 175 1 . 1 1 40 40 ASP HA H 40 4.950 4.950 5.060 -0.110 19749 176 1 . 1 1 40 40 ASP C C 40 176.500 176.500 176.157 0.343 19749 177 1 . 1 1 40 40 ASP CA C 40 55.900 55.900 53.918 1.982 19749 178 1 . 1 1 40 40 ASP CB C 40 40.900 40.900 42.034 -1.134 19749 179 1 . 1 1 40 40 ASP H H 40 9.060 9.060 8.328 0.732 19749 180 1 . 1 1 41 41 SER N N 41 113.600 113.600 120.031 -6.431 19749 181 1 . 1 1 41 41 SER HA H 41 4.200 4.200 4.414 -0.214 19749 182 1 . 1 1 41 41 SER C C 41 175.700 175.700 174.897 0.803 19749 183 1 . 1 1 41 41 SER CA C 41 58.400 58.400 58.652 -0.252 19749 184 1 . 1 1 41 41 SER CB C 41 63.900 63.900 63.820 0.080 19749 185 1 . 1 1 41 41 SER H H 41 7.870 7.870 8.260 -0.390 19749 186 1 . 1 1 42 42 GLU N N 42 127.200 127.200 124.024 3.176 19749 187 1 . 1 1 42 42 GLU HA H 42 4.390 4.390 4.256 0.133 19749 188 1 . 1 1 42 42 GLU C C 42 176.500 176.500 176.663 -0.163 19749 189 1 . 1 1 42 42 GLU CA C 42 57.700 57.700 57.422 0.278 19749 190 1 . 1 1 42 42 GLU CB C 42 29.500 29.500 29.305 0.195 19749 191 1 . 1 1 42 42 GLU H H 42 9.600 9.600 8.643 0.957 19749 192 1 . 1 1 43 43 SER N N 43 113.400 113.400 115.802 -2.402 19749 193 1 . 1 1 43 43 SER HA H 43 4.590 4.590 4.368 0.222 19749 194 1 . 1 1 43 43 SER C C 43 174.000 174.000 174.355 -0.355 19749 195 1 . 1 1 43 43 SER CA C 43 59.400 59.400 59.379 0.021 19749 196 1 . 1 1 43 43 SER CB C 43 65.100 65.100 63.278 1.822 19749 197 1 . 1 1 43 43 SER H H 43 8.110 8.110 8.252 -0.142 19749 198 1 . 1 1 44 44 VAL N N 44 123.200 123.200 120.901 2.299 19749 199 1 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.147 -0.007 19749 200 1 . 1 1 44 44 VAL C C 44 174.800 174.800 175.536 -0.736 19749 201 1 . 1 1 44 44 VAL CA C 44 61.700 61.700 62.553 -0.853 19749 202 1 . 1 1 44 44 VAL CB C 44 33.700 33.700 32.741 0.959 19749 203 1 . 1 1 44 44 VAL H H 44 7.620 7.620 7.686 -0.065 19749 204 1 . 1 1 45 45 ALA N N 45 130.900 130.900 126.591 4.309 19749 205 1 . 1 1 45 45 ALA HA H 45 4.150 4.150 4.254 -0.104 19749 206 1 . 1 1 45 45 ALA C C 45 178.700 178.700 177.599 1.100 19749 207 1 . 1 1 45 45 ALA CA C 45 53.700 53.700 52.958 0.742 19749 208 1 . 1 1 45 45 ALA CB C 45 18.100 18.100 18.791 -0.690 19749 209 1 . 1 1 45 45 ALA H H 45 8.480 8.480 8.384 0.096 19749 210 1 . 1 1 46 46 GLY N N 46 111.400 111.400 108.461 2.939 19749 211 1 . 1 1 46 46 GLY C C 46 171.700 171.700 173.471 -1.771 19749 212 1 . 1 1 46 46 GLY CA C 46 45.400 45.400 44.785 0.616 19749 213 1 . 1 1 46 46 GLY H H 46 8.600 8.600 8.385 0.215 19749 214 1 . 1 1 47 47 ALA N N 47 117.600 117.600 122.864 -5.264 19749 215 1 . 1 1 47 47 ALA HA H 47 4.880 4.880 4.490 0.390 19749 216 1 . 1 1 47 47 ALA C C 47 177.200 177.200 175.464 1.736 19749 217 1 . 1 1 47 47 ALA CA C 47 49.800 49.800 50.909 -1.109 19749 218 1 . 1 1 47 47 ALA CB C 47 21.700 21.700 21.404 0.296 19749 219 1 . 1 1 47 47 ALA H H 47 7.340 7.340 7.440 -0.100 19749 220 1 . 1 1 48 48 PHE N N 48 117.100 117.100 118.029 -0.929 19749 221 1 . 1 1 48 48 PHE HA H 48 5.370 5.370 5.374 -0.004 19749 222 1 . 1 1 48 48 PHE C C 48 174.100 174.100 174.469 -0.369 19749 223 1 . 1 1 48 48 PHE CA C 48 56.500 56.500 56.475 0.025 19749 224 1 . 1 1 48 48 PHE CB C 48 43.900 43.900 43.029 0.871 19749 225 1 . 1 1 48 48 PHE H H 48 9.160 9.160 8.402 0.758 19749 226 1 . 1 1 49 49 ALA N N 49 125.600 125.600 122.300 3.300 19749 227 1 . 1 1 49 49 ALA HA H 49 5.190 5.190 5.172 0.018 19749 228 1 . 1 1 49 49 ALA C C 49 174.900 174.900 175.160 -0.260 19749 229 1 . 1 1 49 49 ALA CA C 49 51.200 51.200 50.293 0.907 19749 230 1 . 1 1 49 49 ALA CB C 49 20.400 20.400 22.278 -1.878 19749 231 1 . 1 1 49 49 ALA H H 49 9.630 9.630 9.027 0.603 19749 232 1 . 1 1 50 50 LEU N N 50 127.100 127.100 124.015 3.085 19749 233 1 . 1 1 50 50 LEU HA H 50 5.070 5.070 5.462 -0.392 19749 234 1 . 1 1 50 50 LEU C C 50 174.500 174.500 175.340 -0.840 19749 235 1 . 1 1 50 50 LEU CA C 50 54.000 54.000 53.769 0.231 19749 236 1 . 1 1 50 50 LEU CB C 50 43.900 43.900 45.304 -1.404 19749 237 1 . 1 1 50 50 LEU H H 50 9.350 9.350 8.500 0.850 19749 238 1 . 1 1 51 51 CYS N N 51 127.300 127.300 128.069 -0.769 19749 239 1 . 1 1 51 51 CYS HA H 51 5.410 5.410 5.099 0.311 19749 240 1 . 1 1 51 51 CYS C C 51 173.000 173.000 173.251 -0.251 19749 241 1 . 1 1 51 51 CYS CA C 51 57.200 57.200 57.107 0.093 19749 242 1 . 1 1 51 51 CYS CB C 51 30.400 30.400 28.499 1.901 19749 243 1 . 1 1 51 51 CYS H H 51 9.300 9.300 9.065 0.235 19749 244 1 . 1 1 52 52 VAL N N 52 123.100 123.100 127.605 -4.505 19749 245 1 . 1 1 52 52 VAL HA H 52 5.160 5.160 5.058 0.102 19749 246 1 . 1 1 52 52 VAL C C 52 173.800 173.800 174.252 -0.452 19749 247 1 . 1 1 52 52 VAL CA C 52 59.900 59.900 61.119 -1.219 19749 248 1 . 1 1 52 52 VAL CB C 52 36.300 36.300 34.737 1.563 19749 249 1 . 1 1 52 52 VAL H H 52 9.460 9.460 8.918 0.542 19749 250 1 . 1 1 53 53 LEU N N 53 130.700 130.700 128.733 1.967 19749 251 1 . 1 1 53 53 LEU HA H 53 4.980 4.980 5.233 -0.253 19749 252 1 . 1 1 53 53 LEU C C 53 175.200 175.200 174.420 0.780 19749 253 1 . 1 1 53 53 LEU CA C 53 54.000 54.000 53.403 0.597 19749 254 1 . 1 1 53 53 LEU CB C 53 45.300 45.300 44.979 0.321 19749 255 1 . 1 1 53 53 LEU H H 53 9.320 9.320 8.762 0.558 19749 256 1 . 1 1 54 54 TYR N N 54 125.700 125.700 125.440 0.260 19749 257 1 . 1 1 54 54 TYR HA H 54 4.910 4.910 4.787 0.123 19749 258 1 . 1 1 54 54 TYR C C 54 175.400 175.400 174.303 1.097 19749 259 1 . 1 1 54 54 TYR CA C 54 58.700 58.700 57.951 0.749 19749 260 1 . 1 1 54 54 TYR CB C 54 41.700 41.700 41.052 0.648 19749 261 1 . 1 1 54 54 TYR H H 54 9.260 9.260 8.614 0.646 19749 262 1 . 1 1 55 55 GLN N N 55 129.900 129.900 127.747 2.153 19749 263 1 . 1 1 55 55 GLN HA H 55 3.700 3.700 3.782 -0.082 19749 264 1 . 1 1 55 55 GLN C C 55 175.900 175.900 175.237 0.663 19749 265 1 . 1 1 55 55 GLN CA C 55 56.700 56.700 56.723 -0.023 19749 266 1 . 1 1 55 55 GLN CB C 55 25.600 25.600 26.651 -1.051 19749 267 1 . 1 1 55 55 GLN H H 55 9.750 9.750 8.749 1.001 19749 268 1 . 1 1 56 56 LYS N N 56 107.600 107.600 115.120 -7.520 19749 269 1 . 1 1 56 56 LYS HA H 56 3.440 3.440 3.874 -0.434 19749 270 1 . 1 1 56 56 LYS C C 56 174.800 174.800 174.960 -0.160 19749 271 1 . 1 1 56 56 LYS CA C 56 58.400 58.400 57.543 0.857 19749 272 1 . 1 1 56 56 LYS CB C 56 29.800 29.800 31.222 -1.422 19749 273 1 . 1 1 56 56 LYS H H 56 8.920 8.920 8.589 0.331 19749 274 1 . 1 1 57 57 HIS N N 57 118.200 118.200 117.545 0.655 19749 275 1 . 1 1 57 57 HIS HA H 57 4.900 4.900 4.789 0.111 19749 276 1 . 1 1 57 57 HIS C C 57 173.400 173.400 173.616 -0.216 19749 277 1 . 1 1 57 57 HIS CA C 57 54.300 54.300 54.823 -0.523 19749 278 1 . 1 1 57 57 HIS CB C 57 31.900 31.900 31.347 0.552 19749 279 1 . 1 1 57 57 HIS H H 57 7.980 7.980 7.594 0.386 19749 280 1 . 1 1 58 58 VAL N N 58 124.500 124.500 127.941 -3.441 19749 281 1 . 1 1 58 58 VAL HA H 58 4.340 4.340 4.616 -0.276 19749 282 1 . 1 1 58 58 VAL C C 58 175.700 175.700 175.333 0.367 19749 283 1 . 1 1 58 58 VAL CA C 58 63.100 63.100 61.812 1.288 19749 284 1 . 1 1 58 58 VAL CB C 58 32.000 32.000 32.391 -0.391 19749 285 1 . 1 1 58 58 VAL H H 58 8.800 8.800 8.514 0.286 19749 286 1 . 1 1 59 59 HIS N N 59 132.200 132.200 128.075 4.125 19749 287 1 . 1 1 59 59 HIS HA H 59 4.520 4.520 4.756 -0.236 19749 288 1 . 1 1 59 59 HIS C C 59 174.100 174.100 173.784 0.316 19749 289 1 . 1 1 59 59 HIS CA C 59 55.700 55.700 54.434 1.266 19749 290 1 . 1 1 59 59 HIS CB C 59 32.200 32.200 32.865 -0.665 19749 291 1 . 1 1 59 59 HIS H H 59 9.830 9.830 8.977 0.853 19749 292 1 . 1 1 60 60 THR N N 60 119.300 119.300 119.776 -0.476 19749 293 1 . 1 1 60 60 THR HA H 60 5.280 5.280 5.062 0.218 19749 294 1 . 1 1 60 60 THR C C 60 173.700 173.700 173.465 0.235 19749 295 1 . 1 1 60 60 THR CA C 60 62.100 62.100 60.883 1.217 19749 296 1 . 1 1 60 60 THR CB C 60 70.300 70.300 70.190 0.110 19749 297 1 . 1 1 60 60 THR H H 60 8.420 8.420 8.197 0.223 19749 298 1 . 1 1 61 61 TYR N N 61 127.000 127.000 124.774 2.226 19749 299 1 . 1 1 61 61 TYR HA H 61 4.800 4.800 4.803 -0.003 19749 300 1 . 1 1 61 61 TYR C C 61 175.000 175.000 175.439 -0.439 19749 301 1 . 1 1 61 61 TYR CA C 61 56.500 56.500 56.812 -0.312 19749 302 1 . 1 1 61 61 TYR CB C 61 40.900 40.900 39.779 1.121 19749 303 1 . 1 1 61 61 TYR H H 61 9.810 9.810 8.804 1.006 19749 304 1 . 1 1 62 62 ARG N N 62 124.200 124.200 123.655 0.545 19749 305 1 . 1 1 62 62 ARG HA H 62 4.710 4.710 4.714 -0.004 19749 306 1 . 1 1 62 62 ARG C C 62 175.000 175.000 175.555 -0.555 19749 307 1 . 1 1 62 62 ARG CA C 62 56.900 56.900 56.031 0.869 19749 308 1 . 1 1 62 62 ARG CB C 62 31.500 31.500 30.686 0.814 19749 309 1 . 1 1 62 62 ARG H H 62 9.240 9.240 8.782 0.458 19749 310 1 . 1 1 63 63 ILE N N 63 124.100 124.100 123.406 0.694 19749 311 1 . 1 1 63 63 ILE HA H 63 4.760 4.760 4.477 0.283 19749 312 1 . 1 1 63 63 ILE C C 63 174.900 174.900 174.806 0.094 19749 313 1 . 1 1 63 63 ILE CA C 63 60.500 60.500 61.345 -0.845 19749 314 1 . 1 1 63 63 ILE CB C 63 39.600 39.600 39.382 0.218 19749 315 1 . 1 1 63 63 ILE H H 63 8.810 8.810 8.156 0.654 19749 316 1 . 1 1 64 64 LEU N N 64 126.200 126.200 127.936 -1.736 19749 317 1 . 1 1 64 64 LEU HA H 64 5.200 5.200 4.959 0.241 19749 318 1 . 1 1 64 64 LEU CA C 64 51.600 51.600 51.980 -0.380 19749 319 1 . 1 1 64 64 LEU CB C 64 44.200 44.200 42.477 1.723 19749 320 1 . 1 1 64 64 LEU H H 64 8.660 8.660 8.506 0.154 19749 321 1 . 1 1 65 65 PRO HA H 65 5.230 5.230 4.632 0.598 19749 322 1 . 1 1 65 65 PRO C C 65 177.000 177.000 176.917 0.083 19749 323 1 . 1 1 65 65 PRO CA C 65 62.500 62.500 63.874 -1.374 19749 324 1 . 1 1 65 65 PRO CB C 65 32.300 32.300 32.113 0.187 19749 325 1 . 1 1 66 66 ASP N N 66 124.500 124.500 118.818 5.682 19749 326 1 . 1 1 66 66 ASP HA H 66 4.900 4.900 4.497 0.403 19749 327 1 . 1 1 66 66 ASP C C 66 177.200 177.200 176.465 0.735 19749 328 1 . 1 1 66 66 ASP CA C 66 52.600 52.600 54.608 -2.008 19749 329 1 . 1 1 66 66 ASP CB C 66 43.000 43.000 41.174 1.826 19749 330 1 . 1 1 66 66 ASP H H 66 8.650 8.650 8.300 0.350 19749 331 1 . 1 1 67 67 GLY N N 67 108.300 108.300 109.077 -0.777 19749 332 1 . 1 1 67 67 GLY C C 67 174.700 174.700 174.106 0.594 19749 333 1 . 1 1 67 67 GLY CA C 67 45.900 45.900 45.449 0.452 19749 334 1 . 1 1 67 67 GLY H H 67 8.420 8.420 8.319 0.101 19749 335 1 . 1 1 68 68 GLU N N 68 120.300 120.300 119.772 0.528 19749 336 1 . 1 1 68 68 GLU HA H 68 4.340 4.340 4.202 0.138 19749 337 1 . 1 1 68 68 GLU C C 68 176.100 176.100 175.796 0.304 19749 338 1 . 1 1 68 68 GLU CA C 68 56.800 56.800 57.018 -0.218 19749 339 1 . 1 1 68 68 GLU CB C 68 30.300 30.300 29.985 0.315 19749 340 1 . 1 1 68 68 GLU H H 68 8.580 8.580 8.282 0.298 19749 341 1 . 1 1 69 69 ASP N N 69 115.000 115.000 118.574 -3.574 19749 342 1 . 1 1 69 69 ASP HA H 69 4.520 4.520 4.561 -0.041 19749 343 1 . 1 1 69 69 ASP C C 69 175.500 175.500 174.988 0.512 19749 344 1 . 1 1 69 69 ASP CA C 69 55.900 55.900 54.774 1.126 19749 345 1 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.399 -0.799 19749 346 1 . 1 1 69 69 ASP H H 69 8.360 8.360 8.261 0.099 19749 347 1 . 1 1 70 70 PHE N N 70 117.200 117.200 116.904 0.296 19749 348 1 . 1 1 70 70 PHE HA H 70 4.990 4.990 5.046 -0.056 19749 349 1 . 1 1 70 70 PHE C C 70 175.700 175.700 174.687 1.013 19749 350 1 . 1 1 70 70 PHE CA C 70 57.600 57.600 55.920 1.680 19749 351 1 . 1 1 70 70 PHE CB C 70 41.700 41.700 41.595 0.105 19749 352 1 . 1 1 70 70 PHE H H 70 8.120 8.120 7.581 0.539 19749 353 1 . 1 1 71 71 LEU N N 71 120.900 120.900 120.234 0.666 19749 354 1 . 1 1 71 71 LEU HA H 71 4.950 4.950 5.062 -0.112 19749 355 1 . 1 1 71 71 LEU C C 71 175.900 175.900 175.776 0.124 19749 356 1 . 1 1 71 71 LEU CA C 71 53.900 53.900 53.788 0.112 19749 357 1 . 1 1 71 71 LEU CB C 71 45.700 45.700 42.903 2.798 19749 358 1 . 1 1 71 71 LEU H H 71 9.330 9.330 8.787 0.543 19749 359 1 . 1 1 72 72 ALA N N 72 121.500 121.500 126.903 -5.402 19749 360 1 . 1 1 72 72 ALA HA H 72 5.210 5.210 4.928 0.282 19749 361 1 . 1 1 72 72 ALA C C 72 176.900 176.900 176.194 0.706 19749 362 1 . 1 1 72 72 ALA CA C 72 51.500 51.500 50.510 0.990 19749 363 1 . 1 1 72 72 ALA CB C 72 23.000 23.000 20.993 2.007 19749 364 1 . 1 1 72 72 ALA H H 72 8.670 8.670 8.598 0.072 19749 365 1 . 1 1 73 73 VAL N N 73 122.700 122.700 123.463 -0.763 19749 366 1 . 1 1 73 73 VAL HA H 73 4.580 4.580 4.389 0.191 19749 367 1 . 1 1 73 73 VAL C C 73 175.100 175.100 175.783 -0.683 19749 368 1 . 1 1 73 73 VAL CA C 73 61.800 61.800 61.632 0.168 19749 369 1 . 1 1 73 73 VAL CB C 73 33.800 33.800 33.228 0.572 19749 370 1 . 1 1 73 73 VAL H H 73 9.310 9.310 8.268 1.042 19749 371 1 . 1 1 74 74 GLN N N 74 128.600 128.600 126.954 1.646 19749 372 1 . 1 1 74 74 GLN HA H 74 4.710 4.710 4.621 0.089 19749 373 1 . 1 1 74 74 GLN C C 74 175.900 175.900 175.871 0.029 19749 374 1 . 1 1 74 74 GLN CA C 74 55.100 55.100 54.967 0.133 19749 375 1 . 1 1 74 74 GLN CB C 74 29.700 29.700 27.870 1.830 19749 376 1 . 1 1 74 74 GLN H H 74 9.090 9.090 8.791 0.299 19749 377 1 . 1 1 75 75 THR N N 75 117.700 117.700 116.992 0.708 19749 378 1 . 1 1 75 75 THR HA H 75 4.490 4.490 4.313 0.177 19749 379 1 . 1 1 75 75 THR C C 75 174.700 174.700 174.686 0.014 19749 380 1 . 1 1 75 75 THR CA C 75 62.200 62.200 63.173 -0.973 19749 381 1 . 1 1 75 75 THR CB C 75 69.800 69.800 69.412 0.388 19749 382 1 . 1 1 75 75 THR H H 75 8.510 8.510 8.232 0.278 19749 383 1 . 1 1 76 76 SER N N 76 115.300 115.300 115.277 0.023 19749 384 1 . 1 1 76 76 SER HA H 76 4.540 4.540 4.516 0.024 19749 385 1 . 1 1 76 76 SER C C 76 174.200 174.200 173.839 0.361 19749 386 1 . 1 1 76 76 SER CA C 76 58.600 58.600 58.476 0.124 19749 387 1 . 1 1 76 76 SER CB C 76 64.200 64.200 64.412 -0.212 19749 388 1 . 1 1 76 76 SER H H 76 8.250 8.250 8.246 0.004 19749 389 1 . 1 1 77 77 GLN N N 77 120.500 120.500 122.294 -1.794 19749 390 1 . 1 1 77 77 GLN HA H 77 4.220 4.220 4.230 -0.010 19749 391 1 . 1 1 77 77 GLN C C 77 176.900 176.900 176.405 0.495 19749 392 1 . 1 1 77 77 GLN CA C 77 57.300 57.300 57.152 0.148 19749 393 1 . 1 1 77 77 GLN CB C 77 28.900 28.900 28.414 0.486 19749 394 1 . 1 1 77 77 GLN H H 77 8.510 8.510 8.588 -0.078 19749 395 1 . 1 1 78 78 GLY N N 78 110.300 110.300 110.166 0.134 19749 396 1 . 1 1 78 78 GLY C C 78 173.800 173.800 173.715 0.085 19749 397 1 . 1 1 78 78 GLY CA C 78 45.500 45.500 45.123 0.377 19749 398 1 . 1 1 78 78 GLY H H 78 8.610 8.610 8.446 0.164 19749 399 1 . 1 1 79 79 VAL N N 79 119.500 119.500 119.802 -0.302 19749 400 1 . 1 1 79 79 VAL HA H 79 4.550 4.550 4.496 0.054 19749 401 1 . 1 1 79 79 VAL CA C 79 59.500 59.500 59.217 0.283 19749 402 1 . 1 1 79 79 VAL CB C 79 32.800 32.800 32.763 0.037 19749 403 1 . 1 1 79 79 VAL H H 79 7.400 7.400 7.672 -0.272 19749 404 1 . 1 1 80 80 PRO HA H 80 4.420 4.420 4.413 0.007 19749 405 1 . 1 1 80 80 PRO C C 80 176.900 176.900 176.175 0.725 19749 406 1 . 1 1 80 80 PRO CA C 80 63.300 63.300 62.960 0.340 19749 407 1 . 1 1 80 80 PRO CB C 80 32.300 32.300 31.593 0.706 19749 408 1 . 1 1 81 81 VAL N N 81 121.600 121.600 123.030 -1.430 19749 409 1 . 1 1 81 81 VAL HA H 81 4.040 4.040 4.013 0.027 19749 410 1 . 1 1 81 81 VAL C C 81 175.800 175.800 176.212 -0.412 19749 411 1 . 1 1 81 81 VAL CA C 81 63.000 63.000 62.387 0.613 19749 412 1 . 1 1 81 81 VAL CB C 81 32.800 32.800 32.391 0.409 19749 413 1 . 1 1 81 81 VAL H H 81 8.390 8.390 8.172 0.218 19749 414 1 . 1 1 82 82 ARG N N 82 125.400 125.400 127.695 -2.295 19749 415 1 . 1 1 82 82 ARG HA H 82 4.450 4.450 4.494 -0.044 19749 416 1 . 1 1 82 82 ARG C C 82 173.900 173.900 174.486 -0.586 19749 417 1 . 1 1 82 82 ARG CA C 82 55.000 55.000 54.199 0.801 19749 418 1 . 1 1 82 82 ARG CB C 82 32.300 32.300 31.634 0.666 19749 419 1 . 1 1 82 82 ARG H H 82 8.170 8.170 8.473 -0.303 19749 420 1 . 1 1 83 83 ARG N N 83 121.200 121.200 123.096 -1.896 19749 421 1 . 1 1 83 83 ARG HA H 83 5.330 5.330 4.596 0.734 19749 422 1 . 1 1 83 83 ARG C C 83 175.600 175.600 175.082 0.518 19749 423 1 . 1 1 83 83 ARG CA C 83 54.500 54.500 55.202 -0.702 19749 424 1 . 1 1 83 83 ARG CB C 83 33.500 33.500 31.274 2.226 19749 425 1 . 1 1 83 83 ARG H H 83 8.060 8.060 8.257 -0.197 19749 426 1 . 1 1 84 84 PHE N N 84 118.600 118.600 120.419 -1.819 19749 427 1 . 1 1 84 84 PHE HA H 84 4.950 4.950 4.894 0.056 19749 428 1 . 1 1 84 84 PHE C C 84 175.200 175.200 175.705 -0.505 19749 429 1 . 1 1 84 84 PHE CA C 84 57.100 57.100 56.692 0.408 19749 430 1 . 1 1 84 84 PHE CB C 84 44.500 44.500 42.271 2.229 19749 431 1 . 1 1 84 84 PHE H H 84 9.320 9.320 8.477 0.843 19749 432 1 . 1 1 85 85 GLN N N 85 120.800 120.800 120.329 0.471 19749 433 1 . 1 1 85 85 GLN HA H 85 4.050 4.050 4.433 -0.383 19749 434 1 . 1 1 85 85 GLN C C 85 176.000 176.000 175.788 0.212 19749 435 1 . 1 1 85 85 GLN CA C 85 58.400 58.400 56.722 1.679 19749 436 1 . 1 1 85 85 GLN CB C 85 30.300 30.300 30.173 0.127 19749 437 1 . 1 1 85 85 GLN H H 85 9.660 9.660 8.955 0.705 19749 438 1 . 1 1 86 86 THR N N 86 103.000 103.000 111.949 -8.949 19749 439 1 . 1 1 86 86 THR HA H 86 4.810 4.810 4.517 0.293 19749 440 1 . 1 1 86 86 THR C C 86 174.500 174.500 174.295 0.205 19749 441 1 . 1 1 86 86 THR CA C 86 58.700 58.700 60.318 -1.618 19749 442 1 . 1 1 86 86 THR CB C 86 73.400 73.400 70.937 2.463 19749 443 1 . 1 1 86 86 THR H H 86 7.260 7.260 7.671 -0.411 19749 444 1 . 1 1 87 87 LEU N N 87 122.200 122.200 124.283 -2.083 19749 445 1 . 1 1 87 87 LEU HA H 87 3.830 3.830 3.949 -0.119 19749 446 1 . 1 1 87 87 LEU C C 87 178.600 178.600 178.246 0.354 19749 447 1 . 1 1 87 87 LEU CA C 87 57.100 57.100 57.165 -0.065 19749 448 1 . 1 1 87 87 LEU CB C 87 42.400 42.400 41.452 0.948 19749 449 1 . 1 1 87 87 LEU H H 87 9.150 9.150 8.671 0.479 19749 450 1 . 1 1 88 88 GLY N N 88 105.200 105.200 106.156 -0.956 19749 451 1 . 1 1 88 88 GLY C C 88 176.900 176.900 176.118 0.782 19749 452 1 . 1 1 88 88 GLY CA C 88 47.400 47.400 47.097 0.303 19749 453 1 . 1 1 88 88 GLY H H 88 8.870 8.870 8.349 0.521 19749 454 1 . 1 1 89 89 GLU N N 89 122.000 122.000 121.650 0.350 19749 455 1 . 1 1 89 89 GLU HA H 89 3.930 3.930 4.047 -0.117 19749 456 1 . 1 1 89 89 GLU C C 89 177.600 177.600 178.400 -0.800 19749 457 1 . 1 1 89 89 GLU CA C 89 58.900 58.900 58.397 0.503 19749 458 1 . 1 1 89 89 GLU CB C 89 31.000 31.000 29.265 1.735 19749 459 1 . 1 1 89 89 GLU H H 89 7.670 7.670 7.524 0.146 19749 460 1 . 1 1 90 90 LEU N N 90 122.300 122.300 120.940 1.360 19749 461 1 . 1 1 90 90 LEU HA H 90 2.430 2.430 2.446 -0.016 19749 462 1 . 1 1 90 90 LEU C C 90 177.200 177.200 178.107 -0.907 19749 463 1 . 1 1 90 90 LEU CA C 90 58.700 58.700 57.296 1.404 19749 464 1 . 1 1 90 90 LEU CB C 90 42.100 42.100 41.404 0.696 19749 465 1 . 1 1 90 90 LEU H H 90 6.880 6.880 6.948 -0.068 19749 466 1 . 1 1 91 91 ILE N N 91 118.800 118.800 117.040 1.760 19749 467 1 . 1 1 91 91 ILE HA H 91 3.110 3.110 3.481 -0.371 19749 468 1 . 1 1 91 91 ILE C C 91 177.700 177.700 178.344 -0.644 19749 469 1 . 1 1 91 91 ILE CA C 91 61.400 61.400 62.934 -1.534 19749 470 1 . 1 1 91 91 ILE CB C 91 35.400 35.400 36.054 -0.655 19749 471 1 . 1 1 91 91 ILE H H 91 7.880 7.880 7.650 0.230 19749 472 1 . 1 1 92 92 GLY N N 92 103.900 103.900 108.457 -4.557 19749 473 1 . 1 1 92 92 GLY C C 92 176.400 176.400 175.865 0.535 19749 474 1 . 1 1 92 92 GLY CA C 92 46.800 46.800 46.970 -0.170 19749 475 1 . 1 1 92 92 GLY H H 92 7.570 7.570 7.683 -0.113 19749 476 1 . 1 1 93 93 LEU N N 93 123.200 123.200 121.538 1.662 19749 477 1 . 1 1 93 93 LEU HA H 93 4.080 4.080 4.165 -0.085 19749 478 1 . 1 1 93 93 LEU C C 93 179.100 179.100 178.937 0.163 19749 479 1 . 1 1 93 93 LEU CA C 93 57.400 57.400 57.146 0.254 19749 480 1 . 1 1 93 93 LEU CB C 93 40.800 40.800 42.350 -1.550 19749 481 1 . 1 1 93 93 LEU H H 93 7.360 7.360 7.609 -0.249 19749 482 1 . 1 1 94 94 TYR N N 94 114.000 114.000 117.284 -3.284 19749 483 1 . 1 1 94 94 TYR HA H 94 4.230 4.230 4.430 -0.200 19749 484 1 . 1 1 94 94 TYR C C 94 175.600 175.600 177.368 -1.768 19749 485 1 . 1 1 94 94 TYR CA C 94 60.200 60.200 57.914 2.286 19749 486 1 . 1 1 94 94 TYR CB C 94 36.600 36.600 36.818 -0.218 19749 487 1 . 1 1 94 94 TYR H H 94 7.380 7.380 8.056 -0.676 19749 488 1 . 1 1 95 95 ALA N N 95 123.100 123.100 120.258 2.842 19749 489 1 . 1 1 95 95 ALA HA H 95 4.360 4.360 4.154 0.206 19749 490 1 . 1 1 95 95 ALA C C 95 177.300 177.300 177.241 0.059 19749 491 1 . 1 1 95 95 ALA CA C 95 53.900 53.900 53.029 0.871 19749 492 1 . 1 1 95 95 ALA CB C 95 19.000 19.000 18.652 0.348 19749 493 1 . 1 1 95 95 ALA H H 95 7.330 7.330 7.403 -0.073 19749 494 1 . 1 1 96 96 GLN N N 96 116.500 116.500 118.393 -1.893 19749 495 1 . 1 1 96 96 GLN HA H 96 4.540 4.540 4.668 -0.128 19749 496 1 . 1 1 96 96 GLN CA C 96 53.000 53.000 52.673 0.327 19749 497 1 . 1 1 96 96 GLN CB C 96 28.600 28.600 29.008 -0.408 19749 498 1 . 1 1 96 96 GLN H H 96 7.620 7.620 7.341 0.280 19749 499 1 . 1 1 97 97 PRO HA H 97 4.240 4.240 4.342 -0.102 19749 500 1 . 1 1 97 97 PRO C C 97 176.800 176.800 176.804 -0.004 19749 501 1 . 1 1 97 97 PRO CA C 97 62.800 62.800 62.861 -0.061 19749 502 1 . 1 1 97 97 PRO CB C 97 32.800 32.800 32.221 0.579 19749 503 1 . 1 1 98 98 ASN N N 98 114.900 114.900 118.079 -3.179 19749 504 1 . 1 1 98 98 ASN HA H 98 4.480 4.480 4.401 0.079 19749 505 1 . 1 1 98 98 ASN C C 98 175.100 175.100 174.434 0.666 19749 506 1 . 1 1 98 98 ASN CA C 98 54.300 54.300 54.008 0.292 19749 507 1 . 1 1 98 98 ASN CB C 98 36.900 36.900 37.757 -0.857 19749 508 1 . 1 1 98 98 ASN H H 98 8.960 8.960 8.661 0.299 19749 509 1 . 1 1 99 99 GLN N N 99 115.400 115.400 118.038 -2.638 19749 510 1 . 1 1 99 99 GLN HA H 99 4.500 4.500 4.330 0.170 19749 511 1 . 1 1 99 99 GLN C C 99 176.100 176.100 175.157 0.943 19749 512 1 . 1 1 99 99 GLN CA C 99 54.300 54.300 55.681 -1.381 19749 513 1 . 1 1 99 99 GLN CB C 99 29.600 29.600 29.361 0.239 19749 514 1 . 1 1 99 99 GLN H H 99 8.610 8.610 8.270 0.340 19749 515 1 . 1 1 100 100 GLY N N 100 107.400 107.400 107.857 -0.457 19749 516 1 . 1 1 100 100 GLY C C 100 174.600 174.600 173.607 0.993 19749 517 1 . 1 1 100 100 GLY CA C 100 45.400 45.400 45.021 0.379 19749 518 1 . 1 1 100 100 GLY H H 100 8.460 8.460 8.134 0.326 19749 519 1 . 1 1 101 101 LEU N N 101 118.400 118.400 122.181 -3.781 19749 520 1 . 1 1 101 101 LEU HA H 101 4.380 4.380 4.380 0.000 19749 521 1 . 1 1 101 101 LEU C C 101 178.000 178.000 178.412 -0.412 19749 522 1 . 1 1 101 101 LEU CA C 101 52.900 52.900 54.302 -1.402 19749 523 1 . 1 1 101 101 LEU CB C 101 42.400 42.400 41.715 0.685 19749 524 1 . 1 1 101 101 LEU H H 101 8.020 8.020 7.592 0.428 19749 525 1 . 1 1 102 102 VAL N N 102 114.700 114.700 121.731 -7.031 19749 526 1 . 1 1 102 102 VAL HA H 102 3.590 3.590 3.853 -0.263 19749 527 1 . 1 1 102 102 VAL C C 102 173.600 173.600 175.816 -2.216 19749 528 1 . 1 1 102 102 VAL CA C 102 63.600 63.600 64.176 -0.576 19749 529 1 . 1 1 102 102 VAL CB C 102 31.100 31.100 31.699 -0.599 19749 530 1 . 1 1 102 102 VAL H H 102 7.260 7.260 8.607 -1.347 19749 531 1 . 1 1 103 103 CYS N N 103 112.400 112.400 116.384 -3.984 19749 532 1 . 1 1 103 103 CYS HA H 103 4.240 4.240 4.218 0.022 19749 533 1 . 1 1 103 103 CYS C C 103 170.600 170.600 173.519 -2.919 19749 534 1 . 1 1 103 103 CYS CA C 103 56.100 56.100 57.580 -1.480 19749 535 1 . 1 1 103 103 CYS CB C 103 29.600 29.600 28.083 1.517 19749 536 1 . 1 1 103 103 CYS H H 103 6.920 6.920 7.715 -0.795 19749 537 1 . 1 1 104 104 ALA N N 104 119.600 119.600 122.058 -2.458 19749 538 1 . 1 1 104 104 ALA HA H 104 4.210 4.210 4.057 0.153 19749 539 1 . 1 1 104 104 ALA C C 104 176.300 176.300 176.493 -0.193 19749 540 1 . 1 1 104 104 ALA CA C 104 51.600 51.600 52.209 -0.609 19749 541 1 . 1 1 104 104 ALA CB C 104 19.400 19.400 18.885 0.515 19749 542 1 . 1 1 104 104 ALA H H 104 7.840 7.840 7.656 0.184 19749 543 1 . 1 1 105 105 LEU N N 105 117.100 117.100 120.868 -3.768 19749 544 1 . 1 1 105 105 LEU HA H 105 3.780 3.780 3.958 -0.178 19749 545 1 . 1 1 105 105 LEU C C 105 175.400 175.400 176.691 -1.291 19749 546 1 . 1 1 105 105 LEU CA C 105 53.600 53.600 54.644 -1.044 19749 547 1 . 1 1 105 105 LEU CB C 105 37.400 37.400 39.865 -2.465 19749 548 1 . 1 1 105 105 LEU H H 105 7.610 7.610 8.087 -0.477 19749 549 1 . 1 1 106 106 LEU N N 106 124.700 124.700 126.796 -2.096 19749 550 1 . 1 1 106 106 LEU HA H 106 4.600 4.600 4.562 0.038 19749 551 1 . 1 1 106 106 LEU C C 106 177.600 177.600 176.788 0.812 19749 552 1 . 1 1 106 106 LEU CA C 106 56.300 56.300 56.077 0.223 19749 553 1 . 1 1 106 106 LEU CB C 106 46.000 46.000 43.563 2.437 19749 554 1 . 1 1 106 106 LEU H H 106 8.160 8.160 8.378 -0.218 19749 555 1 . 1 1 107 107 LEU N N 107 121.400 121.400 118.904 2.496 19749 556 1 . 1 1 107 107 LEU HA H 107 5.110 5.110 4.997 0.113 19749 557 1 . 1 1 107 107 LEU CA C 107 51.700 51.700 52.018 -0.318 19749 558 1 . 1 1 107 107 LEU CB C 107 44.600 44.600 43.595 1.005 19749 559 1 . 1 1 107 107 LEU H H 107 7.930 7.930 8.012 -0.082 19749 560 1 . 1 1 108 108 PRO HA H 108 3.430 3.430 3.976 -0.546 19749 561 1 . 1 1 108 108 PRO C C 108 176.500 176.500 176.498 0.002 19749 562 1 . 1 1 108 108 PRO CA C 108 62.400 62.400 62.805 -0.405 19749 563 1 . 1 1 108 108 PRO CB C 108 32.800 32.800 31.948 0.852 19749 stop_ save_