data_18832 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18832 _Entry.PDB_ID 2M0Y 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 18832 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR N N 2 116.400 116.400 116.313 0.087 18832 2 1 1 . 1 1 2 2 THR HA H 2 4.120 4.120 4.626 -0.506 18832 3 1 1 . 1 1 2 2 THR CA C 2 62.100 62.100 61.382 0.718 18832 4 1 1 . 1 1 2 2 THR CB C 2 69.440 69.440 69.749 -0.309 18832 5 1 1 . 1 1 2 2 THR H H 2 8.150 8.150 7.993 0.157 18832 6 1 1 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.634 -0.324 18832 7 1 1 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.618 0.132 18832 8 1 1 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.030 -0.410 18832 9 1 1 . 1 1 4 4 TRP N N 4 123.300 123.300 124.784 -1.484 18832 10 1 1 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.761 -0.281 18832 11 1 1 . 1 1 4 4 TRP CA C 4 57.560 57.560 55.728 1.832 18832 12 1 1 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.297 -0.807 18832 13 1 1 . 1 1 4 4 TRP H H 4 8.108 8.108 8.659 -0.551 18832 14 1 1 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.290 0.280 18832 15 1 1 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.418 -1.578 18832 16 1 1 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.692 0.118 18832 17 1 1 . 1 1 6 6 PRO CB C 6 32.210 32.210 31.332 0.878 18832 18 1 1 . 1 1 7 7 THR HA H 7 4.270 4.270 3.821 0.449 18832 19 1 1 . 1 1 7 7 THR CA C 7 60.890 60.890 63.130 -2.240 18832 20 1 1 . 1 1 7 7 THR CB C 7 70.140 70.140 68.408 1.732 18832 21 1 1 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.411 0.029 18832 22 1 1 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.237 0.743 18832 23 1 1 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.699 1.351 18832 24 1 1 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.383 0.197 18832 25 1 1 . 1 1 10 10 GLU CA C 10 55.570 55.570 55.400 0.170 18832 26 1 1 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.630 0.151 18832 27 1 1 . 1 1 11 11 GLU N N 11 122.500 122.500 123.502 -1.002 18832 28 1 1 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.260 0.080 18832 29 1 1 . 1 1 11 11 GLU CA C 11 57.140 57.140 58.231 -1.091 18832 30 1 1 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.358 -0.958 18832 31 1 1 . 1 1 11 11 GLU H H 11 8.271 8.271 8.708 -0.437 18832 32 1 1 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.154 0.226 18832 33 1 1 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.807 -1.017 18832 34 1 1 . 1 1 12 12 LYS CB C 12 33.600 33.600 33.784 -0.184 18832 35 1 1 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.614 0.946 18832 36 1 1 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.816 0.044 18832 37 1 1 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.141 2.299 18832 38 1 1 . 1 1 14 14 GLY N N 14 105.320 105.320 106.719 -1.399 18832 39 1 1 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.843 0.397 18832 40 1 1 . 1 1 14 14 GLY H H 14 8.401 8.401 8.839 -0.438 18832 41 1 1 . 1 1 15 15 VAL N N 15 118.900 118.900 118.804 0.096 18832 42 1 1 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.654 0.687 18832 43 1 1 . 1 1 15 15 VAL CA C 15 59.210 59.210 61.264 -2.054 18832 44 1 1 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.647 -0.907 18832 45 1 1 . 1 1 15 15 VAL H H 15 8.851 8.851 8.557 0.294 18832 46 1 1 . 1 1 16 16 ALA N N 16 129.460 129.460 126.118 3.342 18832 47 1 1 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.355 -0.355 18832 48 1 1 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.103 1.897 18832 49 1 1 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.081 -1.751 18832 50 1 1 . 1 1 16 16 ALA H H 16 9.113 9.113 8.478 0.635 18832 51 1 1 . 1 1 17 17 PHE N N 17 124.070 124.070 120.378 3.692 18832 52 1 1 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.960 -0.159 18832 53 1 1 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.788 0.442 18832 54 1 1 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.891 1.109 18832 55 1 1 . 1 1 17 17 PHE H H 17 8.787 8.787 7.937 0.850 18832 56 1 1 . 1 1 18 18 TYR N N 18 118.210 118.210 123.461 -5.251 18832 57 1 1 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.377 0.106 18832 58 1 1 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.313 -2.013 18832 59 1 1 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.876 0.934 18832 60 1 1 . 1 1 18 18 TYR H H 18 7.281 7.281 7.735 -0.454 18832 61 1 1 . 1 1 19 19 ASN N N 19 116.800 116.800 119.327 -2.527 18832 62 1 1 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.813 -0.103 18832 63 1 1 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.820 0.120 18832 64 1 1 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.628 0.432 18832 65 1 1 . 1 1 19 19 ASN H H 19 8.134 8.134 8.183 -0.049 18832 66 1 1 . 1 1 20 20 TYR N N 20 122.190 122.190 122.531 -0.341 18832 67 1 1 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.458 0.229 18832 68 1 1 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.775 -1.055 18832 69 1 1 . 1 1 20 20 TYR CB C 20 42.250 42.250 39.718 2.532 18832 70 1 1 . 1 1 20 20 TYR H H 20 8.993 8.993 7.944 1.049 18832 71 1 1 . 1 1 21 21 ASP N N 21 128.520 128.520 127.691 0.829 18832 72 1 1 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.823 -0.033 18832 73 1 1 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.425 -0.055 18832 74 1 1 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.496 -1.366 18832 75 1 1 . 1 1 21 21 ASP H H 21 7.838 7.838 8.271 -0.433 18832 76 1 1 . 1 1 22 22 ALA N N 22 125.240 125.240 125.430 -0.190 18832 77 1 1 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.681 -0.630 18832 78 1 1 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.099 -0.159 18832 79 1 1 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.709 0.741 18832 80 1 1 . 1 1 22 22 ALA H H 22 8.103 8.103 8.420 -0.317 18832 81 1 1 . 1 1 23 23 ARG N N 23 122.190 122.190 121.005 1.185 18832 82 1 1 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.467 -0.121 18832 83 1 1 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.855 -0.365 18832 84 1 1 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.053 -0.353 18832 85 1 1 . 1 1 23 23 ARG H H 23 8.887 8.887 8.608 0.279 18832 86 1 1 . 1 1 24 24 GLY N N 24 105.320 105.320 106.198 -0.878 18832 87 1 1 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.928 -0.428 18832 88 1 1 . 1 1 24 24 GLY H H 24 7.258 7.258 7.516 -0.258 18832 89 1 1 . 1 1 25 25 ALA N N 25 122.190 122.190 121.527 0.663 18832 90 1 1 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.256 -0.090 18832 91 1 1 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.904 0.536 18832 92 1 1 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.423 -0.653 18832 93 1 1 . 1 1 25 25 ALA H H 25 8.627 8.627 8.348 0.279 18832 94 1 1 . 1 1 26 26 ASP N N 26 114.690 114.690 117.571 -2.881 18832 95 1 1 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.471 0.229 18832 96 1 1 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.994 -2.124 18832 97 1 1 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.965 -0.576 18832 98 1 1 . 1 1 26 26 ASP H H 26 8.955 8.955 8.628 0.327 18832 99 1 1 . 1 1 27 27 GLU N N 27 118.910 118.910 117.716 1.194 18832 100 1 1 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.378 0.824 18832 101 1 1 . 1 1 27 27 GLU CA C 27 54.930 54.930 56.168 -1.238 18832 102 1 1 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.672 1.208 18832 103 1 1 . 1 1 27 27 GLU H H 27 7.537 7.537 7.928 -0.391 18832 104 1 1 . 1 1 28 28 LEU N N 28 121.490 121.490 120.066 1.424 18832 105 1 1 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.626 0.130 18832 106 1 1 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.755 -0.635 18832 107 1 1 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.740 -1.240 18832 108 1 1 . 1 1 28 28 LEU H H 28 8.890 8.890 8.454 0.436 18832 109 1 1 . 1 1 29 29 SER N N 29 115.870 115.870 118.966 -3.096 18832 110 1 1 . 1 1 29 29 SER HA H 29 5.009 5.009 4.710 0.299 18832 111 1 1 . 1 1 29 29 SER CA C 29 58.470 58.470 58.694 -0.223 18832 112 1 1 . 1 1 29 29 SER CB C 29 63.690 63.690 63.407 0.283 18832 113 1 1 . 1 1 29 29 SER H H 29 7.948 7.948 8.465 -0.517 18832 114 1 1 . 1 1 30 30 LEU N N 30 121.260 121.260 128.340 -7.080 18832 115 1 1 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.759 0.017 18832 116 1 1 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.104 -1.164 18832 117 1 1 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.441 0.929 18832 118 1 1 . 1 1 30 30 LEU H H 30 9.500 9.500 8.124 1.376 18832 119 1 1 . 1 1 31 31 GLN N N 31 123.130 123.130 119.060 4.070 18832 120 1 1 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.298 -0.233 18832 121 1 1 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.949 -1.009 18832 122 1 1 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.113 -1.923 18832 123 1 1 . 1 1 31 31 GLN H H 31 9.147 9.147 8.439 0.708 18832 124 1 1 . 1 1 32 32 ILE N N 32 120.790 120.790 120.959 -0.169 18832 125 1 1 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.083 -1.051 18832 126 1 1 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.341 0.909 18832 127 1 1 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.886 0.053 18832 128 1 1 . 1 1 32 32 ILE H H 32 8.016 8.016 8.361 -0.345 18832 129 1 1 . 1 1 33 33 GLY N N 33 115.870 115.870 115.242 0.628 18832 130 1 1 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.681 -0.181 18832 131 1 1 . 1 1 33 33 GLY H H 33 8.775 8.775 9.029 -0.254 18832 132 1 1 . 1 1 34 34 ASP N N 34 122.430 122.430 122.172 0.258 18832 133 1 1 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.921 -0.287 18832 134 1 1 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.177 1.683 18832 135 1 1 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.599 -1.289 18832 136 1 1 . 1 1 34 34 ASP H H 34 8.686 8.686 7.871 0.815 18832 137 1 1 . 1 1 35 35 THR N N 35 117.980 117.980 116.530 1.450 18832 138 1 1 . 1 1 35 35 THR HA H 35 5.154 5.154 4.874 0.280 18832 139 1 1 . 1 1 35 35 THR CA C 35 61.450 61.450 61.853 -0.403 18832 140 1 1 . 1 1 35 35 THR CB C 35 69.090 69.090 70.100 -1.010 18832 141 1 1 . 1 1 35 35 THR H H 35 8.392 8.392 8.505 -0.113 18832 142 1 1 . 1 1 36 36 VAL N N 36 118.200 118.200 118.655 -0.455 18832 143 1 1 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.707 0.445 18832 144 1 1 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.800 -1.890 18832 145 1 1 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.798 -0.608 18832 146 1 1 . 1 1 36 36 VAL H H 36 9.016 9.016 8.511 0.505 18832 147 1 1 . 1 1 37 37 HIS N N 37 122.190 122.190 125.837 -3.647 18832 148 1 1 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.967 -0.156 18832 149 1 1 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.911 -1.351 18832 150 1 1 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.780 0.480 18832 151 1 1 . 1 1 37 37 HIS H H 37 8.491 8.491 8.767 -0.276 18832 152 1 1 . 1 1 38 38 ILE N N 38 126.650 126.650 127.252 -0.602 18832 153 1 1 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.147 -0.397 18832 154 1 1 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.478 -0.838 18832 155 1 1 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.103 0.777 18832 156 1 1 . 1 1 38 38 ILE H H 38 8.638 8.638 8.480 0.158 18832 157 1 1 . 1 1 39 39 LEU N N 39 126.180 126.180 123.722 2.458 18832 158 1 1 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.904 -0.524 18832 159 1 1 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.090 0.401 18832 160 1 1 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.019 -0.269 18832 161 1 1 . 1 1 39 39 LEU H H 39 9.163 9.163 8.992 0.171 18832 162 1 1 . 1 1 40 40 GLU N N 40 115.160 115.160 117.066 -1.906 18832 163 1 1 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.842 0.178 18832 164 1 1 . 1 1 40 40 GLU CA C 40 55.090 55.090 54.680 0.410 18832 165 1 1 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.246 1.484 18832 166 1 1 . 1 1 40 40 GLU H H 40 7.852 7.852 7.717 0.135 18832 167 1 1 . 1 1 41 41 THR HA H 41 4.270 4.270 4.481 -0.211 18832 168 1 1 . 1 1 41 41 THR CA C 41 61.250 61.250 60.464 0.786 18832 169 1 1 . 1 1 41 41 THR CB C 41 71.410 71.410 70.459 0.951 18832 170 1 1 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.292 0.258 18832 171 1 1 . 1 1 43 43 GLU N N 43 124.100 124.100 120.354 3.746 18832 172 1 1 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.145 -0.405 18832 173 1 1 . 1 1 43 43 GLU H H 43 8.590 8.590 7.878 0.712 18832 174 1 1 . 1 1 44 44 GLY N N 44 110.789 110.789 110.305 0.484 18832 175 1 1 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.258 0.182 18832 176 1 1 . 1 1 44 44 GLY H H 44 8.432 8.432 8.296 0.136 18832 177 1 1 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.580 0.110 18832 178 1 1 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.133 1.417 18832 179 1 1 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.562 1.038 18832 180 1 1 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.726 -0.666 18832 181 1 1 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.237 1.413 18832 182 1 1 . 1 1 47 47 ARG N N 47 118.100 118.100 119.566 -1.466 18832 183 1 1 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.944 0.150 18832 184 1 1 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.164 -0.104 18832 185 1 1 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.490 -1.240 18832 186 1 1 . 1 1 47 47 ARG H H 47 8.492 8.492 8.123 0.369 18832 187 1 1 . 1 1 48 48 GLY N N 48 114.000 114.000 110.516 3.484 18832 188 1 1 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.167 0.393 18832 189 1 1 . 1 1 48 48 GLY H H 48 9.183 9.183 8.975 0.208 18832 190 1 1 . 1 1 49 49 TYR N N 49 116.100 116.100 115.133 0.967 18832 191 1 1 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.303 0.070 18832 192 1 1 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.999 -0.889 18832 193 1 1 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.874 -0.124 18832 194 1 1 . 1 1 49 49 TYR H H 49 8.194 8.194 8.140 0.054 18832 195 1 1 . 1 1 50 50 THR N N 50 112.350 112.350 115.228 -2.878 18832 196 1 1 . 1 1 50 50 THR HA H 50 5.105 5.105 4.608 0.497 18832 197 1 1 . 1 1 50 50 THR CA C 50 59.770 59.770 61.487 -1.717 18832 198 1 1 . 1 1 50 50 THR CB C 50 69.460 69.460 69.596 -0.136 18832 199 1 1 . 1 1 50 50 THR H H 50 9.441 9.441 8.810 0.631 18832 200 1 1 . 1 1 51 51 LEU N N 51 121.260 121.260 121.446 -0.186 18832 201 1 1 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.037 0.199 18832 202 1 1 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.480 -0.690 18832 203 1 1 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.183 -1.183 18832 204 1 1 . 1 1 51 51 LEU H H 51 8.310 8.310 8.299 0.011 18832 205 1 1 . 1 1 52 52 ARG N N 52 116.570 116.570 117.250 -0.680 18832 206 1 1 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.222 0.028 18832 207 1 1 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.167 0.183 18832 208 1 1 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.482 0.028 18832 209 1 1 . 1 1 52 52 ARG H H 52 8.047 8.047 8.261 -0.214 18832 210 1 1 . 1 1 53 53 LYS N N 53 122.660 122.660 119.716 2.944 18832 211 1 1 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.528 0.088 18832 212 1 1 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.331 -0.711 18832 213 1 1 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.625 1.235 18832 214 1 1 . 1 1 53 53 LYS H H 53 7.649 7.649 8.044 -0.395 18832 215 1 1 . 1 1 54 54 LYS N N 54 125.010 125.010 120.108 4.902 18832 216 1 1 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.175 -0.085 18832 217 1 1 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.551 -0.081 18832 218 1 1 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.581 -0.451 18832 219 1 1 . 1 1 54 54 LYS H H 54 8.496 8.496 8.240 0.256 18832 220 1 1 . 1 1 55 55 SER N N 55 110.240 110.240 112.659 -2.419 18832 221 1 1 . 1 1 55 55 SER HA H 55 4.122 4.122 4.258 -0.136 18832 222 1 1 . 1 1 55 55 SER CA C 55 58.960 58.960 60.007 -1.047 18832 223 1 1 . 1 1 55 55 SER CB C 55 63.310 63.310 63.367 -0.057 18832 224 1 1 . 1 1 55 55 SER H H 55 7.857 7.857 8.243 -0.386 18832 225 1 1 . 1 1 56 56 LYS N N 56 124.070 124.070 120.102 3.968 18832 226 1 1 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.410 0.258 18832 227 1 1 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.748 -0.938 18832 228 1 1 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.643 -0.393 18832 229 1 1 . 1 1 56 56 LYS H H 56 7.473 7.473 7.825 -0.352 18832 230 1 1 . 1 1 57 57 LYS N N 57 125.940 125.940 122.433 3.507 18832 231 1 1 . 1 1 57 57 LYS HA H 57 5.341 5.341 5.030 0.311 18832 232 1 1 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.577 0.043 18832 233 1 1 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.443 -1.202 18832 234 1 1 . 1 1 57 57 LYS H H 57 8.474 8.474 8.239 0.235 18832 235 1 1 . 1 1 58 58 GLY N N 58 109.540 109.540 111.133 -1.593 18832 236 1 1 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.291 0.329 18832 237 1 1 . 1 1 58 58 GLY H H 58 9.075 9.075 8.904 0.171 18832 238 1 1 . 1 1 59 59 ILE N N 59 113.900 113.900 115.201 -1.301 18832 239 1 1 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.030 0.970 18832 240 1 1 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.418 1.172 18832 241 1 1 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.650 0.490 18832 242 1 1 . 1 1 59 59 ILE H H 59 8.628 8.628 7.573 1.055 18832 243 1 1 . 1 1 60 60 PHE N N 60 117.040 117.040 115.686 1.354 18832 244 1 1 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.275 -0.155 18832 245 1 1 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.821 -0.760 18832 246 1 1 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.525 -2.334 18832 247 1 1 . 1 1 60 60 PHE H H 60 8.724 8.724 8.529 0.195 18832 248 1 1 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.521 -1.041 18832 249 1 1 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.360 -0.160 18832 250 1 1 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.411 -1.221 18832 251 1 1 . 1 1 62 62 ALA N N 62 124.770 124.770 127.394 -2.624 18832 252 1 1 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.882 -0.172 18832 253 1 1 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.319 0.051 18832 254 1 1 . 1 1 62 62 ALA CB C 62 17.650 17.650 17.726 -0.076 18832 255 1 1 . 1 1 62 62 ALA H H 62 7.898 7.898 8.356 -0.458 18832 256 1 1 . 1 1 63 63 SER N N 63 109.700 109.700 115.316 -5.616 18832 257 1 1 . 1 1 63 63 SER HA H 63 4.200 4.200 4.179 0.021 18832 258 1 1 . 1 1 63 63 SER CA C 63 59.400 59.400 60.606 -1.206 18832 259 1 1 . 1 1 63 63 SER CB C 63 62.380 62.380 62.930 -0.550 18832 260 1 1 . 1 1 63 63 SER H H 63 8.030 8.030 8.572 -0.542 18832 261 1 1 . 1 1 64 64 TYR N N 64 120.300 120.300 112.596 7.704 18832 262 1 1 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.471 -0.221 18832 263 1 1 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.947 2.773 18832 264 1 1 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.290 0.270 18832 265 1 1 . 1 1 64 64 TYR H H 64 7.128 7.128 6.971 0.157 18832 266 1 1 . 1 1 65 65 ILE N N 65 118.000 118.000 121.248 -3.248 18832 267 1 1 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.720 0.090 18832 268 1 1 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.260 -2.280 18832 269 1 1 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.987 0.643 18832 270 1 1 . 1 1 65 65 ILE H H 65 7.671 7.671 7.464 0.207 18832 271 1 1 . 1 1 66 66 HIS N N 66 124.300 124.300 126.966 -2.666 18832 272 1 1 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.961 0.169 18832 273 1 1 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.482 -1.422 18832 274 1 1 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.301 -2.791 18832 275 1 1 . 1 1 66 66 HIS H H 66 9.159 9.159 8.855 0.304 18832 276 1 1 . 1 1 67 67 LEU N N 67 127.580 127.580 127.929 -0.349 18832 277 1 1 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.348 0.222 18832 278 1 1 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.031 -0.731 18832 279 1 1 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.486 -0.426 18832 280 1 1 . 1 1 67 67 LEU H H 67 8.992 8.992 8.783 0.209 18832 281 1 1 . 1 1 68 68 LYS N N 68 121.900 121.900 123.270 -1.370 18832 282 1 1 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.649 -0.159 18832 283 1 1 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.189 0.921 18832 284 1 1 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.133 0.477 18832 285 1 1 . 1 1 68 68 LYS H H 68 8.499 8.499 8.063 0.436 18832 286 1 1 . 1 1 69 69 GLU N N 69 122.190 122.190 120.406 1.784 18832 287 1 1 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.314 -0.034 18832 288 1 1 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.039 1.571 18832 289 1 1 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.918 1.412 18832 290 1 1 . 1 1 69 69 GLU H H 69 8.569 8.569 8.487 0.082 18832 291 1 1 . 1 1 70 70 ALA N N 70 123.370 123.370 121.004 2.366 18832 292 1 1 . 1 1 70 70 ALA HA H 70 4.200 4.200 3.810 0.390 18832 293 1 1 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.909 -1.099 18832 294 1 1 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.836 0.864 18832 295 1 1 . 1 1 70 70 ALA H H 70 8.181 8.181 7.947 0.234 18832 296 1 1 . 1 1 71 71 ILE N N 71 120.080 120.080 119.476 0.604 18832 297 1 1 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.678 -0.608 18832 298 1 1 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.287 0.043 18832 299 1 1 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.745 -1.055 18832 300 1 1 . 1 1 71 71 ILE H H 71 7.776 7.776 8.260 -0.484 18832 301 1 1 . 1 1 72 72 VAL N N 72 124.540 124.540 118.946 5.594 18832 302 1 1 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.556 -0.486 18832 303 1 1 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.407 0.233 18832 304 1 1 . 1 1 72 72 VAL CB C 72 32.690 32.690 33.819 -1.129 18832 305 1 1 . 1 1 72 72 VAL H H 72 8.089 8.089 8.022 0.067 18832 306 1 1 . 1 1 73 73 GLU N N 73 125.940 125.940 124.914 1.026 18832 307 1 1 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.426 -0.146 18832 308 1 1 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.748 -0.138 18832 309 1 1 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.089 0.621 18832 310 1 1 . 1 1 73 73 GLU H H 73 8.464 8.464 8.782 -0.318 18832 311 1 2 . 1 1 2 2 THR N N 2 116.400 116.400 116.025 0.375 18832 312 1 2 . 1 1 2 2 THR HA H 2 4.120 4.120 4.686 -0.566 18832 313 1 2 . 1 1 2 2 THR CA C 2 62.100 62.100 61.559 0.541 18832 314 1 2 . 1 1 2 2 THR CB C 2 69.440 69.440 69.430 0.010 18832 315 1 2 . 1 1 2 2 THR H H 2 8.150 8.150 8.285 -0.135 18832 316 1 2 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.224 0.086 18832 317 1 2 . 1 1 3 3 ARG CA C 3 55.750 55.750 56.078 -0.327 18832 318 1 2 . 1 1 3 3 ARG CB C 3 30.620 30.620 30.889 -0.268 18832 319 1 2 . 1 1 4 4 TRP N N 4 123.300 123.300 122.299 1.001 18832 320 1 2 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.541 -0.061 18832 321 1 2 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.525 1.035 18832 322 1 2 . 1 1 4 4 TRP CB C 4 29.490 29.490 29.789 -0.299 18832 323 1 2 . 1 1 4 4 TRP H H 4 8.108 8.108 8.355 -0.247 18832 324 1 2 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.586 -0.016 18832 325 1 2 . 1 1 5 5 VAL CB C 5 30.840 30.840 34.113 -3.273 18832 326 1 2 . 1 1 6 6 PRO HA H 6 4.810 4.810 5.250 -0.440 18832 327 1 2 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.408 -0.198 18832 328 1 2 . 1 1 7 7 THR HA H 7 4.270 4.270 4.377 -0.107 18832 329 1 2 . 1 1 7 7 THR CA C 7 60.890 60.890 60.675 0.215 18832 330 1 2 . 1 1 7 7 THR CB C 7 70.140 70.140 69.773 0.367 18832 331 1 2 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.468 -0.028 18832 332 1 2 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.164 0.816 18832 333 1 2 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.692 1.358 18832 334 1 2 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.220 0.360 18832 335 1 2 . 1 1 10 10 GLU CA C 10 55.570 55.570 55.670 -0.101 18832 336 1 2 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.051 0.729 18832 337 1 2 . 1 1 11 11 GLU N N 11 122.500 122.500 118.490 4.010 18832 338 1 2 . 1 1 11 11 GLU HA H 11 4.340 4.340 3.890 0.450 18832 339 1 2 . 1 1 11 11 GLU CA C 11 57.140 57.140 59.178 -2.038 18832 340 1 2 . 1 1 11 11 GLU CB C 11 29.400 29.400 28.772 0.628 18832 341 1 2 . 1 1 11 11 GLU H H 11 8.271 8.271 8.467 -0.196 18832 342 1 2 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.319 0.061 18832 343 1 2 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.654 -0.864 18832 344 1 2 . 1 1 12 12 LYS CB C 12 33.600 33.600 35.201 -1.601 18832 345 1 2 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.561 0.999 18832 346 1 2 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.947 -0.087 18832 347 1 2 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.449 2.991 18832 348 1 2 . 1 1 14 14 GLY N N 14 105.320 105.320 106.175 -0.855 18832 349 1 2 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.851 1.389 18832 350 1 2 . 1 1 14 14 GLY H H 14 8.401 8.401 8.986 -0.585 18832 351 1 2 . 1 1 15 15 VAL N N 15 118.900 118.900 118.498 0.402 18832 352 1 2 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.605 0.736 18832 353 1 2 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.751 -1.541 18832 354 1 2 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.188 -0.448 18832 355 1 2 . 1 1 15 15 VAL H H 15 8.851 8.851 8.816 0.035 18832 356 1 2 . 1 1 16 16 ALA N N 16 129.460 129.460 126.168 3.292 18832 357 1 2 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.526 -0.526 18832 358 1 2 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.096 1.904 18832 359 1 2 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.590 -2.260 18832 360 1 2 . 1 1 16 16 ALA H H 16 9.113 9.113 8.653 0.460 18832 361 1 2 . 1 1 17 17 PHE N N 17 124.070 124.070 120.828 3.242 18832 362 1 2 . 1 1 17 17 PHE HA H 17 4.801 4.801 5.138 -0.337 18832 363 1 2 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.605 0.625 18832 364 1 2 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.838 1.162 18832 365 1 2 . 1 1 17 17 PHE H H 17 8.787 8.787 8.286 0.501 18832 366 1 2 . 1 1 18 18 TYR N N 18 118.210 118.210 123.391 -5.181 18832 367 1 2 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.293 0.190 18832 368 1 2 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.216 -1.916 18832 369 1 2 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.883 0.927 18832 370 1 2 . 1 1 18 18 TYR H H 18 7.281 7.281 7.693 -0.412 18832 371 1 2 . 1 1 19 19 ASN N N 19 116.800 116.800 119.345 -2.545 18832 372 1 2 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.821 -0.111 18832 373 1 2 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.669 0.271 18832 374 1 2 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.198 0.862 18832 375 1 2 . 1 1 19 19 ASN H H 19 8.134 8.134 8.328 -0.194 18832 376 1 2 . 1 1 20 20 TYR N N 20 122.190 122.190 122.202 -0.012 18832 377 1 2 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.462 0.225 18832 378 1 2 . 1 1 20 20 TYR CA C 20 57.720 57.720 59.008 -1.288 18832 379 1 2 . 1 1 20 20 TYR CB C 20 42.250 42.250 39.801 2.449 18832 380 1 2 . 1 1 20 20 TYR H H 20 8.993 8.993 7.912 1.081 18832 381 1 2 . 1 1 21 21 ASP N N 21 128.520 128.520 128.265 0.255 18832 382 1 2 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.825 -0.035 18832 383 1 2 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.921 -0.551 18832 384 1 2 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.028 -1.898 18832 385 1 2 . 1 1 21 21 ASP H H 21 7.838 7.838 7.979 -0.141 18832 386 1 2 . 1 1 22 22 ALA N N 22 125.240 125.240 128.062 -2.822 18832 387 1 2 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.510 -0.459 18832 388 1 2 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.327 -0.387 18832 389 1 2 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.715 0.735 18832 390 1 2 . 1 1 22 22 ALA H H 22 8.103 8.103 8.546 -0.443 18832 391 1 2 . 1 1 23 23 ARG N N 23 122.190 122.190 122.064 0.126 18832 392 1 2 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.325 0.021 18832 393 1 2 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.865 -1.375 18832 394 1 2 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.913 -0.213 18832 395 1 2 . 1 1 23 23 ARG H H 23 8.887 8.887 8.651 0.236 18832 396 1 2 . 1 1 24 24 GLY N N 24 105.320 105.320 106.541 -1.221 18832 397 1 2 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.379 0.121 18832 398 1 2 . 1 1 24 24 GLY H H 24 7.258 7.258 7.611 -0.353 18832 399 1 2 . 1 1 25 25 ALA N N 25 122.190 122.190 121.902 0.288 18832 400 1 2 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.279 -0.113 18832 401 1 2 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.868 0.572 18832 402 1 2 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.284 -0.514 18832 403 1 2 . 1 1 25 25 ALA H H 25 8.627 8.627 8.343 0.284 18832 404 1 2 . 1 1 26 26 ASP N N 26 114.690 114.690 116.664 -1.974 18832 405 1 2 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.419 0.281 18832 406 1 2 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.327 -2.457 18832 407 1 2 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.085 -0.695 18832 408 1 2 . 1 1 26 26 ASP H H 26 8.955 8.955 8.488 0.467 18832 409 1 2 . 1 1 27 27 GLU N N 27 118.910 118.910 116.990 1.920 18832 410 1 2 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.617 0.585 18832 411 1 2 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.607 -0.677 18832 412 1 2 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.542 1.338 18832 413 1 2 . 1 1 27 27 GLU H H 27 7.537 7.537 7.532 0.005 18832 414 1 2 . 1 1 28 28 LEU N N 28 121.490 121.490 120.250 1.240 18832 415 1 2 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.645 0.111 18832 416 1 2 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.219 -1.099 18832 417 1 2 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.847 -0.347 18832 418 1 2 . 1 1 28 28 LEU H H 28 8.890 8.890 8.602 0.288 18832 419 1 2 . 1 1 29 29 SER N N 29 115.870 115.870 120.396 -4.526 18832 420 1 2 . 1 1 29 29 SER HA H 29 5.009 5.009 4.834 0.175 18832 421 1 2 . 1 1 29 29 SER CA C 29 58.470 58.470 59.210 -0.740 18832 422 1 2 . 1 1 29 29 SER CB C 29 63.690 63.690 63.755 -0.065 18832 423 1 2 . 1 1 29 29 SER H H 29 7.948 7.948 8.514 -0.566 18832 424 1 2 . 1 1 30 30 LEU N N 30 121.260 121.260 127.431 -6.171 18832 425 1 2 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.719 0.057 18832 426 1 2 . 1 1 30 30 LEU CA C 30 52.940 52.940 53.664 -0.724 18832 427 1 2 . 1 1 30 30 LEU CB C 30 46.370 46.370 44.494 1.876 18832 428 1 2 . 1 1 30 30 LEU H H 30 9.500 9.500 7.888 1.612 18832 429 1 2 . 1 1 31 31 GLN N N 31 123.130 123.130 119.942 3.188 18832 430 1 2 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.153 -0.088 18832 431 1 2 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.023 -1.083 18832 432 1 2 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.059 -1.869 18832 433 1 2 . 1 1 31 31 GLN H H 31 9.147 9.147 8.452 0.695 18832 434 1 2 . 1 1 32 32 ILE N N 32 120.790 120.790 120.703 0.087 18832 435 1 2 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.155 -1.123 18832 436 1 2 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.166 1.084 18832 437 1 2 . 1 1 32 32 ILE CB C 32 37.940 37.940 38.087 -0.147 18832 438 1 2 . 1 1 32 32 ILE H H 32 8.016 8.016 8.363 -0.347 18832 439 1 2 . 1 1 33 33 GLY N N 33 115.870 115.870 114.258 1.612 18832 440 1 2 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.837 -0.337 18832 441 1 2 . 1 1 33 33 GLY H H 33 8.775 8.775 9.005 -0.230 18832 442 1 2 . 1 1 34 34 ASP N N 34 122.430 122.430 121.961 0.469 18832 443 1 2 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.873 -0.239 18832 444 1 2 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.198 1.662 18832 445 1 2 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.639 -1.329 18832 446 1 2 . 1 1 34 34 ASP H H 34 8.686 8.686 7.796 0.889 18832 447 1 2 . 1 1 35 35 THR N N 35 117.980 117.980 117.798 0.182 18832 448 1 2 . 1 1 35 35 THR HA H 35 5.154 5.154 4.855 0.299 18832 449 1 2 . 1 1 35 35 THR CA C 35 61.450 61.450 61.992 -0.542 18832 450 1 2 . 1 1 35 35 THR CB C 35 69.090 69.090 69.822 -0.732 18832 451 1 2 . 1 1 35 35 THR H H 35 8.392 8.392 8.509 -0.117 18832 452 1 2 . 1 1 36 36 VAL N N 36 118.200 118.200 120.341 -2.141 18832 453 1 2 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.513 0.639 18832 454 1 2 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.448 -1.538 18832 455 1 2 . 1 1 36 36 VAL CB C 36 34.190 34.190 33.954 0.236 18832 456 1 2 . 1 1 36 36 VAL H H 36 9.016 9.016 8.488 0.528 18832 457 1 2 . 1 1 37 37 HIS N N 37 122.190 122.190 126.022 -3.832 18832 458 1 2 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.850 -0.039 18832 459 1 2 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.797 -1.237 18832 460 1 2 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.392 0.868 18832 461 1 2 . 1 1 37 37 HIS H H 37 8.491 8.491 8.314 0.177 18832 462 1 2 . 1 1 38 38 ILE N N 38 126.650 126.650 127.761 -1.111 18832 463 1 2 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.017 -0.267 18832 464 1 2 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.374 1.266 18832 465 1 2 . 1 1 38 38 ILE CB C 38 38.880 38.880 35.439 3.441 18832 466 1 2 . 1 1 38 38 ILE H H 38 8.638 8.638 8.486 0.152 18832 467 1 2 . 1 1 39 39 LEU N N 39 126.180 126.180 127.579 -1.399 18832 468 1 2 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.623 -0.243 18832 469 1 2 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.898 -0.408 18832 470 1 2 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.870 -0.120 18832 471 1 2 . 1 1 39 39 LEU H H 39 9.163 9.163 8.031 1.132 18832 472 1 2 . 1 1 40 40 GLU N N 40 115.160 115.160 116.456 -1.296 18832 473 1 2 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.738 0.282 18832 474 1 2 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.795 -0.705 18832 475 1 2 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.113 1.617 18832 476 1 2 . 1 1 40 40 GLU H H 40 7.852 7.852 8.145 -0.293 18832 477 1 2 . 1 1 41 41 THR HA H 41 4.270 4.270 4.560 -0.290 18832 478 1 2 . 1 1 41 41 THR CA C 41 61.250 61.250 59.406 1.844 18832 479 1 2 . 1 1 41 41 THR CB C 41 71.410 71.410 70.076 1.334 18832 480 1 2 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.381 0.169 18832 481 1 2 . 1 1 43 43 GLU N N 43 124.100 124.100 120.751 3.349 18832 482 1 2 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.549 -0.809 18832 483 1 2 . 1 1 43 43 GLU H H 43 8.590 8.590 8.451 0.139 18832 484 1 2 . 1 1 44 44 GLY N N 44 110.789 110.789 112.566 -1.777 18832 485 1 2 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.559 -0.119 18832 486 1 2 . 1 1 44 44 GLY H H 44 8.432 8.432 8.402 0.030 18832 487 1 2 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.544 0.146 18832 488 1 2 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.904 1.645 18832 489 1 2 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.782 0.818 18832 490 1 2 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.486 -0.426 18832 491 1 2 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.333 1.317 18832 492 1 2 . 1 1 47 47 ARG N N 47 118.100 118.100 122.364 -4.264 18832 493 1 2 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.002 0.092 18832 494 1 2 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.507 -0.447 18832 495 1 2 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.459 -0.209 18832 496 1 2 . 1 1 47 47 ARG H H 47 8.492 8.492 8.821 -0.329 18832 497 1 2 . 1 1 48 48 GLY N N 48 114.000 114.000 113.468 0.532 18832 498 1 2 . 1 1 48 48 GLY CA C 48 46.560 46.560 44.347 2.213 18832 499 1 2 . 1 1 48 48 GLY H H 48 9.183 9.183 8.679 0.504 18832 500 1 2 . 1 1 49 49 TYR N N 49 116.100 116.100 115.322 0.778 18832 501 1 2 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.204 0.169 18832 502 1 2 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.594 -0.485 18832 503 1 2 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.344 0.406 18832 504 1 2 . 1 1 49 49 TYR H H 49 8.194 8.194 7.981 0.213 18832 505 1 2 . 1 1 50 50 THR N N 50 112.350 112.350 116.188 -3.838 18832 506 1 2 . 1 1 50 50 THR HA H 50 5.105 5.105 4.534 0.571 18832 507 1 2 . 1 1 50 50 THR CA C 50 59.770 59.770 61.467 -1.697 18832 508 1 2 . 1 1 50 50 THR CB C 50 69.460 69.460 69.845 -0.385 18832 509 1 2 . 1 1 50 50 THR H H 50 9.441 9.441 8.845 0.596 18832 510 1 2 . 1 1 51 51 LEU N N 51 121.260 121.260 120.835 0.425 18832 511 1 2 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.092 0.144 18832 512 1 2 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.355 -0.565 18832 513 1 2 . 1 1 51 51 LEU CB C 51 40.000 40.000 40.950 -0.950 18832 514 1 2 . 1 1 51 51 LEU H H 51 8.310 8.310 8.135 0.175 18832 515 1 2 . 1 1 52 52 ARG N N 52 116.570 116.570 117.607 -1.037 18832 516 1 2 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.168 0.082 18832 517 1 2 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.678 -0.328 18832 518 1 2 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.270 0.240 18832 519 1 2 . 1 1 52 52 ARG H H 52 8.047 8.047 8.457 -0.410 18832 520 1 2 . 1 1 53 53 LYS N N 53 122.660 122.660 119.299 3.361 18832 521 1 2 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.627 -0.011 18832 522 1 2 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.289 -0.669 18832 523 1 2 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.811 1.049 18832 524 1 2 . 1 1 53 53 LYS H H 53 7.649 7.649 7.896 -0.247 18832 525 1 2 . 1 1 54 54 LYS N N 54 125.010 125.010 122.507 2.503 18832 526 1 2 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.190 -0.100 18832 527 1 2 . 1 1 54 54 LYS CA C 54 58.470 58.470 59.112 -0.642 18832 528 1 2 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.169 -0.039 18832 529 1 2 . 1 1 54 54 LYS H H 54 8.496 8.496 8.427 0.069 18832 530 1 2 . 1 1 55 55 SER N N 55 110.240 110.240 112.422 -2.182 18832 531 1 2 . 1 1 55 55 SER HA H 55 4.122 4.122 4.210 -0.088 18832 532 1 2 . 1 1 55 55 SER CA C 55 58.960 58.960 60.096 -1.136 18832 533 1 2 . 1 1 55 55 SER CB C 55 63.310 63.310 63.330 -0.020 18832 534 1 2 . 1 1 55 55 SER H H 55 7.857 7.857 8.185 -0.328 18832 535 1 2 . 1 1 56 56 LYS N N 56 124.070 124.070 120.316 3.754 18832 536 1 2 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.388 0.280 18832 537 1 2 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.998 -1.188 18832 538 1 2 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.836 -0.586 18832 539 1 2 . 1 1 56 56 LYS H H 56 7.473 7.473 7.238 0.235 18832 540 1 2 . 1 1 57 57 LYS N N 57 125.940 125.940 119.875 6.065 18832 541 1 2 . 1 1 57 57 LYS HA H 57 5.341 5.341 5.030 0.311 18832 542 1 2 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.932 -0.312 18832 543 1 2 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.526 -2.286 18832 544 1 2 . 1 1 57 57 LYS H H 57 8.474 8.474 8.185 0.289 18832 545 1 2 . 1 1 58 58 GLY N N 58 109.540 109.540 109.676 -0.136 18832 546 1 2 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.390 1.230 18832 547 1 2 . 1 1 58 58 GLY H H 58 9.075 9.075 8.920 0.155 18832 548 1 2 . 1 1 59 59 ILE N N 59 113.900 113.900 115.756 -1.856 18832 549 1 2 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.940 1.060 18832 550 1 2 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.822 0.768 18832 551 1 2 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.759 0.381 18832 552 1 2 . 1 1 59 59 ILE H H 59 8.628 8.628 7.977 0.651 18832 553 1 2 . 1 1 60 60 PHE N N 60 117.040 117.040 117.255 -0.215 18832 554 1 2 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.242 -0.122 18832 555 1 2 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.883 -0.823 18832 556 1 2 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.699 -2.509 18832 557 1 2 . 1 1 60 60 PHE H H 60 8.724 8.724 8.551 0.173 18832 558 1 2 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.498 -1.018 18832 559 1 2 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.143 0.057 18832 560 1 2 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.541 -1.351 18832 561 1 2 . 1 1 62 62 ALA N N 62 124.770 124.770 126.381 -1.611 18832 562 1 2 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.986 -0.276 18832 563 1 2 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.356 0.014 18832 564 1 2 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.108 -0.458 18832 565 1 2 . 1 1 62 62 ALA H H 62 7.898 7.898 8.266 -0.368 18832 566 1 2 . 1 1 63 63 SER N N 63 109.700 109.700 115.400 -5.700 18832 567 1 2 . 1 1 63 63 SER HA H 63 4.200 4.200 4.264 -0.064 18832 568 1 2 . 1 1 63 63 SER CA C 63 59.400 59.400 60.382 -0.982 18832 569 1 2 . 1 1 63 63 SER CB C 63 62.380 62.380 62.987 -0.607 18832 570 1 2 . 1 1 63 63 SER H H 63 8.030 8.030 8.488 -0.458 18832 571 1 2 . 1 1 64 64 TYR N N 64 120.300 120.300 112.093 8.207 18832 572 1 2 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.519 -0.269 18832 573 1 2 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.516 3.204 18832 574 1 2 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.464 0.096 18832 575 1 2 . 1 1 64 64 TYR H H 64 7.128 7.128 7.085 0.043 18832 576 1 2 . 1 1 65 65 ILE N N 65 118.000 118.000 121.560 -3.560 18832 577 1 2 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.909 -0.099 18832 578 1 2 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.379 -2.399 18832 579 1 2 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.856 0.774 18832 580 1 2 . 1 1 65 65 ILE H H 65 7.671 7.671 7.495 0.176 18832 581 1 2 . 1 1 66 66 HIS N N 66 124.300 124.300 126.932 -2.632 18832 582 1 2 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.950 0.180 18832 583 1 2 . 1 1 66 66 HIS CA C 66 53.060 53.060 55.053 -1.993 18832 584 1 2 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.907 -2.397 18832 585 1 2 . 1 1 66 66 HIS H H 66 9.159 9.159 8.905 0.254 18832 586 1 2 . 1 1 67 67 LEU N N 67 127.580 127.580 127.693 -0.113 18832 587 1 2 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.281 0.289 18832 588 1 2 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.162 -0.862 18832 589 1 2 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.154 -0.094 18832 590 1 2 . 1 1 67 67 LEU H H 67 8.992 8.992 8.541 0.451 18832 591 1 2 . 1 1 68 68 LYS N N 68 121.900 121.900 122.172 -0.272 18832 592 1 2 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.802 -0.312 18832 593 1 2 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.446 0.664 18832 594 1 2 . 1 1 68 68 LYS CB C 68 34.610 34.610 36.045 -1.435 18832 595 1 2 . 1 1 68 68 LYS H H 68 8.499 8.499 8.146 0.353 18832 596 1 2 . 1 1 69 69 GLU N N 69 122.190 122.190 117.910 4.280 18832 597 1 2 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.492 -0.212 18832 598 1 2 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.572 1.038 18832 599 1 2 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.547 1.783 18832 600 1 2 . 1 1 69 69 GLU H H 69 8.569 8.569 8.544 0.025 18832 601 1 2 . 1 1 70 70 ALA N N 70 123.370 123.370 122.260 1.110 18832 602 1 2 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.250 -0.050 18832 603 1 2 . 1 1 70 70 ALA CA C 70 51.810 51.810 53.035 -1.225 18832 604 1 2 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.130 0.570 18832 605 1 2 . 1 1 70 70 ALA H H 70 8.181 8.181 8.164 0.017 18832 606 1 2 . 1 1 71 71 ILE N N 71 120.080 120.080 123.163 -3.083 18832 607 1 2 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.404 -0.334 18832 608 1 2 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.761 -0.431 18832 609 1 2 . 1 1 71 71 ILE CB C 71 38.690 38.690 40.101 -1.411 18832 610 1 2 . 1 1 71 71 ILE H H 71 7.776 7.776 8.478 -0.702 18832 611 1 2 . 1 1 72 72 VAL N N 72 124.540 124.540 124.977 -0.437 18832 612 1 2 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.234 -0.164 18832 613 1 2 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.658 -0.018 18832 614 1 2 . 1 1 72 72 VAL CB C 72 32.690 32.690 34.423 -1.733 18832 615 1 2 . 1 1 72 72 VAL H H 72 8.089 8.089 8.199 -0.110 18832 616 1 2 . 1 1 73 73 GLU N N 73 125.940 125.940 125.948 -0.008 18832 617 1 2 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.828 -0.548 18832 618 1 2 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.252 0.358 18832 619 1 2 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.731 -0.021 18832 620 1 2 . 1 1 73 73 GLU H H 73 8.464 8.464 8.715 -0.251 18832 621 1 3 . 1 1 2 2 THR N N 2 116.400 116.400 119.177 -2.777 18832 622 1 3 . 1 1 2 2 THR HA H 2 4.120 4.120 4.468 -0.348 18832 623 1 3 . 1 1 2 2 THR CA C 2 62.100 62.100 62.429 -0.329 18832 624 1 3 . 1 1 2 2 THR CB C 2 69.440 69.440 68.680 0.760 18832 625 1 3 . 1 1 2 2 THR H H 2 8.150 8.150 8.420 -0.270 18832 626 1 3 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.586 -0.276 18832 627 1 3 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.530 0.220 18832 628 1 3 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.219 -0.599 18832 629 1 3 . 1 1 4 4 TRP N N 4 123.300 123.300 125.746 -2.446 18832 630 1 3 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.125 0.355 18832 631 1 3 . 1 1 4 4 TRP CA C 4 57.560 57.560 57.075 0.485 18832 632 1 3 . 1 1 4 4 TRP CB C 4 29.490 29.490 29.683 -0.193 18832 633 1 3 . 1 1 4 4 TRP H H 4 8.108 8.108 8.466 -0.358 18832 634 1 3 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.233 0.337 18832 635 1 3 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.359 -1.519 18832 636 1 3 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.652 0.158 18832 637 1 3 . 1 1 6 6 PRO CB C 6 32.210 32.210 31.303 0.907 18832 638 1 3 . 1 1 7 7 THR HA H 7 4.270 4.270 3.806 0.464 18832 639 1 3 . 1 1 7 7 THR CA C 7 60.890 60.890 62.754 -1.864 18832 640 1 3 . 1 1 7 7 THR CB C 7 70.140 70.140 68.160 1.980 18832 641 1 3 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.078 0.362 18832 642 1 3 . 1 1 8 8 LYS CA C 8 55.980 55.980 57.558 -1.578 18832 643 1 3 . 1 1 8 8 LYS CB C 8 35.050 35.050 32.901 2.149 18832 644 1 3 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.449 0.131 18832 645 1 3 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.185 -0.615 18832 646 1 3 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.753 0.027 18832 647 1 3 . 1 1 11 11 GLU N N 11 122.500 122.500 120.070 2.430 18832 648 1 3 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.404 -0.064 18832 649 1 3 . 1 1 11 11 GLU CA C 11 57.140 57.140 56.220 0.920 18832 650 1 3 . 1 1 11 11 GLU CB C 11 29.400 29.400 29.451 -0.051 18832 651 1 3 . 1 1 11 11 GLU H H 11 8.271 8.271 8.358 -0.087 18832 652 1 3 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.350 0.030 18832 653 1 3 . 1 1 12 12 LYS CA C 12 55.790 55.790 54.742 1.048 18832 654 1 3 . 1 1 12 12 LYS CB C 12 33.600 33.600 34.560 -0.960 18832 655 1 3 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.992 0.568 18832 656 1 3 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.158 0.702 18832 657 1 3 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.463 1.977 18832 658 1 3 . 1 1 14 14 GLY N N 14 105.320 105.320 107.259 -1.939 18832 659 1 3 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.961 1.279 18832 660 1 3 . 1 1 14 14 GLY H H 14 8.401 8.401 8.915 -0.514 18832 661 1 3 . 1 1 15 15 VAL N N 15 118.900 118.900 118.374 0.526 18832 662 1 3 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.524 0.817 18832 663 1 3 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.828 -1.618 18832 664 1 3 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.581 -0.841 18832 665 1 3 . 1 1 15 15 VAL H H 15 8.851 8.851 8.734 0.117 18832 666 1 3 . 1 1 16 16 ALA N N 16 129.460 129.460 126.113 3.347 18832 667 1 3 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.295 -0.295 18832 668 1 3 . 1 1 16 16 ALA CA C 16 52.000 52.000 49.905 2.095 18832 669 1 3 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.998 -1.668 18832 670 1 3 . 1 1 16 16 ALA H H 16 9.113 9.113 8.494 0.619 18832 671 1 3 . 1 1 17 17 PHE N N 17 124.070 124.070 120.487 3.583 18832 672 1 3 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.922 -0.121 18832 673 1 3 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.977 0.253 18832 674 1 3 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.677 1.323 18832 675 1 3 . 1 1 17 17 PHE H H 17 8.787 8.787 7.704 1.083 18832 676 1 3 . 1 1 18 18 TYR N N 18 118.210 118.210 123.249 -5.039 18832 677 1 3 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.373 0.110 18832 678 1 3 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.395 -2.095 18832 679 1 3 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.243 0.567 18832 680 1 3 . 1 1 18 18 TYR H H 18 7.281 7.281 7.735 -0.454 18832 681 1 3 . 1 1 19 19 ASN N N 19 116.800 116.800 119.221 -2.421 18832 682 1 3 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.879 -0.169 18832 683 1 3 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.932 0.007 18832 684 1 3 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.838 0.222 18832 685 1 3 . 1 1 19 19 ASN H H 19 8.134 8.134 8.443 -0.309 18832 686 1 3 . 1 1 20 20 TYR N N 20 122.190 122.190 122.777 -0.587 18832 687 1 3 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.637 0.050 18832 688 1 3 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.047 0.673 18832 689 1 3 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.554 1.696 18832 690 1 3 . 1 1 20 20 TYR H H 20 8.993 8.993 8.153 0.840 18832 691 1 3 . 1 1 21 21 ASP N N 21 128.520 128.520 126.297 2.223 18832 692 1 3 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.661 0.129 18832 693 1 3 . 1 1 21 21 ASP CA C 21 52.370 52.370 53.006 -0.636 18832 694 1 3 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.801 -2.671 18832 695 1 3 . 1 1 21 21 ASP H H 21 7.838 7.838 8.299 -0.461 18832 696 1 3 . 1 1 22 22 ALA N N 22 125.240 125.240 124.504 0.736 18832 697 1 3 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.011 0.040 18832 698 1 3 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.782 0.158 18832 699 1 3 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.398 1.052 18832 700 1 3 . 1 1 22 22 ALA H H 22 8.103 8.103 8.256 -0.153 18832 701 1 3 . 1 1 23 23 ARG N N 23 122.190 122.190 121.610 0.580 18832 702 1 3 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.534 -0.188 18832 703 1 3 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.712 -0.222 18832 704 1 3 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.006 0.694 18832 705 1 3 . 1 1 23 23 ARG H H 23 8.887 8.887 8.631 0.256 18832 706 1 3 . 1 1 24 24 GLY N N 24 105.320 105.320 106.476 -1.156 18832 707 1 3 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.294 -0.794 18832 708 1 3 . 1 1 24 24 GLY H H 24 7.258 7.258 7.303 -0.045 18832 709 1 3 . 1 1 25 25 ALA N N 25 122.190 122.190 121.468 0.722 18832 710 1 3 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.330 -0.164 18832 711 1 3 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.669 0.770 18832 712 1 3 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.387 -0.617 18832 713 1 3 . 1 1 25 25 ALA H H 25 8.627 8.627 8.286 0.341 18832 714 1 3 . 1 1 26 26 ASP N N 26 114.690 114.690 116.552 -1.862 18832 715 1 3 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.474 0.226 18832 716 1 3 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.086 -2.216 18832 717 1 3 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.146 -0.756 18832 718 1 3 . 1 1 26 26 ASP H H 26 8.955 8.955 8.535 0.420 18832 719 1 3 . 1 1 27 27 GLU N N 27 118.910 118.910 116.236 2.674 18832 720 1 3 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.750 0.452 18832 721 1 3 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.371 -0.441 18832 722 1 3 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.538 0.342 18832 723 1 3 . 1 1 27 27 GLU H H 27 7.537 7.537 7.357 0.180 18832 724 1 3 . 1 1 28 28 LEU N N 28 121.490 121.490 119.971 1.519 18832 725 1 3 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.699 0.057 18832 726 1 3 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.974 -0.854 18832 727 1 3 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.355 -0.855 18832 728 1 3 . 1 1 28 28 LEU H H 28 8.890 8.890 8.519 0.371 18832 729 1 3 . 1 1 29 29 SER N N 29 115.870 115.870 118.350 -2.480 18832 730 1 3 . 1 1 29 29 SER HA H 29 5.009 5.009 4.452 0.557 18832 731 1 3 . 1 1 29 29 SER CA C 29 58.470 58.470 58.190 0.280 18832 732 1 3 . 1 1 29 29 SER CB C 29 63.690 63.690 64.070 -0.380 18832 733 1 3 . 1 1 29 29 SER H H 29 7.948 7.948 8.325 -0.377 18832 734 1 3 . 1 1 30 30 LEU N N 30 121.260 121.260 124.689 -3.429 18832 735 1 3 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.804 -0.028 18832 736 1 3 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.489 -1.549 18832 737 1 3 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.082 0.288 18832 738 1 3 . 1 1 30 30 LEU H H 30 9.500 9.500 8.605 0.895 18832 739 1 3 . 1 1 31 31 GLN N N 31 123.130 123.130 119.084 4.046 18832 740 1 3 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.307 -0.242 18832 741 1 3 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.716 -0.776 18832 742 1 3 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.855 -1.665 18832 743 1 3 . 1 1 31 31 GLN H H 31 9.147 9.147 8.444 0.703 18832 744 1 3 . 1 1 32 32 ILE N N 32 120.790 120.790 120.114 0.676 18832 745 1 3 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.129 -1.097 18832 746 1 3 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.126 1.124 18832 747 1 3 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.919 0.021 18832 748 1 3 . 1 1 32 32 ILE H H 32 8.016 8.016 8.360 -0.344 18832 749 1 3 . 1 1 33 33 GLY N N 33 115.870 115.870 115.399 0.471 18832 750 1 3 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.884 -0.384 18832 751 1 3 . 1 1 33 33 GLY H H 33 8.775 8.775 9.085 -0.310 18832 752 1 3 . 1 1 34 34 ASP N N 34 122.430 122.430 122.168 0.262 18832 753 1 3 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.983 -0.349 18832 754 1 3 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.842 2.018 18832 755 1 3 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.361 -1.051 18832 756 1 3 . 1 1 34 34 ASP H H 34 8.686 8.686 7.712 0.974 18832 757 1 3 . 1 1 35 35 THR N N 35 117.980 117.980 117.193 0.787 18832 758 1 3 . 1 1 35 35 THR HA H 35 5.154 5.154 4.787 0.367 18832 759 1 3 . 1 1 35 35 THR CA C 35 61.450 61.450 61.978 -0.528 18832 760 1 3 . 1 1 35 35 THR CB C 35 69.090 69.090 69.904 -0.814 18832 761 1 3 . 1 1 35 35 THR H H 35 8.392 8.392 8.460 -0.068 18832 762 1 3 . 1 1 36 36 VAL N N 36 118.200 118.200 116.672 1.528 18832 763 1 3 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.721 0.431 18832 764 1 3 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.361 -2.451 18832 765 1 3 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.995 -0.805 18832 766 1 3 . 1 1 36 36 VAL H H 36 9.016 9.016 8.800 0.216 18832 767 1 3 . 1 1 37 37 HIS N N 37 122.190 122.190 126.162 -3.972 18832 768 1 3 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.973 -0.162 18832 769 1 3 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.883 -1.323 18832 770 1 3 . 1 1 37 37 HIS CB C 37 31.260 31.260 31.176 0.084 18832 771 1 3 . 1 1 37 37 HIS H H 37 8.491 8.491 8.771 -0.280 18832 772 1 3 . 1 1 38 38 ILE N N 38 126.650 126.650 126.390 0.260 18832 773 1 3 . 1 1 38 38 ILE HA H 38 3.750 3.750 3.939 -0.189 18832 774 1 3 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.116 -0.476 18832 775 1 3 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.071 0.809 18832 776 1 3 . 1 1 38 38 ILE H H 38 8.638 8.638 8.568 0.070 18832 777 1 3 . 1 1 39 39 LEU N N 39 126.180 126.180 122.976 3.204 18832 778 1 3 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.684 -0.304 18832 779 1 3 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.962 0.528 18832 780 1 3 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.561 0.189 18832 781 1 3 . 1 1 39 39 LEU H H 39 9.163 9.163 8.899 0.264 18832 782 1 3 . 1 1 40 40 GLU N N 40 115.160 115.160 116.993 -1.833 18832 783 1 3 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.823 0.197 18832 784 1 3 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.684 -0.594 18832 785 1 3 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.047 1.683 18832 786 1 3 . 1 1 40 40 GLU H H 40 7.852 7.852 7.726 0.126 18832 787 1 3 . 1 1 41 41 THR HA H 41 4.270 4.270 4.346 -0.076 18832 788 1 3 . 1 1 41 41 THR CA C 41 61.250 61.250 59.442 1.808 18832 789 1 3 . 1 1 41 41 THR CB C 41 71.410 71.410 70.255 1.155 18832 790 1 3 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.321 0.229 18832 791 1 3 . 1 1 43 43 GLU N N 43 124.100 124.100 120.794 3.306 18832 792 1 3 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.525 -0.785 18832 793 1 3 . 1 1 43 43 GLU H H 43 8.590 8.590 8.447 0.143 18832 794 1 3 . 1 1 44 44 GLY N N 44 110.789 110.789 112.464 -1.675 18832 795 1 3 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.559 -0.119 18832 796 1 3 . 1 1 44 44 GLY H H 44 8.432 8.432 8.292 0.140 18832 797 1 3 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.662 0.028 18832 798 1 3 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.823 1.727 18832 799 1 3 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.625 0.975 18832 800 1 3 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.771 -0.711 18832 801 1 3 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.460 1.190 18832 802 1 3 . 1 1 47 47 ARG N N 47 118.100 118.100 120.998 -2.898 18832 803 1 3 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.979 0.115 18832 804 1 3 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.489 -0.429 18832 805 1 3 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.670 -0.420 18832 806 1 3 . 1 1 47 47 ARG H H 47 8.492 8.492 8.228 0.264 18832 807 1 3 . 1 1 48 48 GLY N N 48 114.000 114.000 113.172 0.828 18832 808 1 3 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.696 0.864 18832 809 1 3 . 1 1 48 48 GLY H H 48 9.183 9.183 9.137 0.046 18832 810 1 3 . 1 1 49 49 TYR N N 49 116.100 116.100 114.938 1.162 18832 811 1 3 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.083 0.290 18832 812 1 3 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.026 -0.916 18832 813 1 3 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.627 0.123 18832 814 1 3 . 1 1 49 49 TYR H H 49 8.194 8.194 8.307 -0.113 18832 815 1 3 . 1 1 50 50 THR N N 50 112.350 112.350 113.739 -1.389 18832 816 1 3 . 1 1 50 50 THR HA H 50 5.105 5.105 4.786 0.319 18832 817 1 3 . 1 1 50 50 THR CA C 50 59.770 59.770 60.182 -0.412 18832 818 1 3 . 1 1 50 50 THR CB C 50 69.460 69.460 69.736 -0.275 18832 819 1 3 . 1 1 50 50 THR H H 50 9.441 9.441 8.908 0.533 18832 820 1 3 . 1 1 51 51 LEU N N 51 121.260 121.260 123.927 -2.667 18832 821 1 3 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.001 0.235 18832 822 1 3 . 1 1 51 51 LEU CA C 51 56.790 56.790 58.359 -1.569 18832 823 1 3 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.810 -1.810 18832 824 1 3 . 1 1 51 51 LEU H H 51 8.310 8.310 8.188 0.122 18832 825 1 3 . 1 1 52 52 ARG N N 52 116.570 116.570 117.441 -0.871 18832 826 1 3 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.135 0.115 18832 827 1 3 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.251 -0.901 18832 828 1 3 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.469 0.041 18832 829 1 3 . 1 1 52 52 ARG H H 52 8.047 8.047 8.495 -0.448 18832 830 1 3 . 1 1 53 53 LYS N N 53 122.660 122.660 116.904 5.756 18832 831 1 3 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.645 -0.029 18832 832 1 3 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.785 -1.165 18832 833 1 3 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.997 0.863 18832 834 1 3 . 1 1 53 53 LYS H H 53 7.649 7.649 7.556 0.093 18832 835 1 3 . 1 1 54 54 LYS N N 54 125.010 125.010 122.772 2.238 18832 836 1 3 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.371 -0.281 18832 837 1 3 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.295 0.175 18832 838 1 3 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.182 -0.052 18832 839 1 3 . 1 1 54 54 LYS H H 54 8.496 8.496 8.953 -0.457 18832 840 1 3 . 1 1 55 55 SER N N 55 110.240 110.240 113.813 -3.573 18832 841 1 3 . 1 1 55 55 SER HA H 55 4.122 4.122 4.230 -0.108 18832 842 1 3 . 1 1 55 55 SER CA C 55 58.960 58.960 60.526 -1.566 18832 843 1 3 . 1 1 55 55 SER CB C 55 63.310 63.310 63.373 -0.063 18832 844 1 3 . 1 1 55 55 SER H H 55 7.857 7.857 7.979 -0.122 18832 845 1 3 . 1 1 56 56 LYS N N 56 124.070 124.070 121.437 2.633 18832 846 1 3 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.339 0.329 18832 847 1 3 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.184 -1.375 18832 848 1 3 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.851 -0.601 18832 849 1 3 . 1 1 56 56 LYS H H 56 7.473 7.473 7.490 -0.017 18832 850 1 3 . 1 1 57 57 LYS N N 57 125.940 125.940 120.396 5.544 18832 851 1 3 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.909 0.432 18832 852 1 3 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.990 -0.370 18832 853 1 3 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.273 -2.033 18832 854 1 3 . 1 1 57 57 LYS H H 57 8.474 8.474 8.188 0.286 18832 855 1 3 . 1 1 58 58 GLY N N 58 109.540 109.540 108.980 0.560 18832 856 1 3 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.882 0.738 18832 857 1 3 . 1 1 58 58 GLY H H 58 9.075 9.075 8.906 0.169 18832 858 1 3 . 1 1 59 59 ILE N N 59 113.900 113.900 115.389 -1.489 18832 859 1 3 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.105 0.895 18832 860 1 3 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.435 1.155 18832 861 1 3 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.450 -0.310 18832 862 1 3 . 1 1 59 59 ILE H H 59 8.628 8.628 8.185 0.443 18832 863 1 3 . 1 1 60 60 PHE N N 60 117.040 117.040 117.105 -0.065 18832 864 1 3 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.503 -0.383 18832 865 1 3 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.824 -0.764 18832 866 1 3 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.588 -2.398 18832 867 1 3 . 1 1 60 60 PHE H H 60 8.724 8.724 8.472 0.252 18832 868 1 3 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.714 -1.234 18832 869 1 3 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.270 -0.070 18832 870 1 3 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.407 -1.217 18832 871 1 3 . 1 1 62 62 ALA N N 62 124.770 124.770 127.096 -2.326 18832 872 1 3 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.029 -0.319 18832 873 1 3 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.101 0.269 18832 874 1 3 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.214 -0.564 18832 875 1 3 . 1 1 62 62 ALA H H 62 7.898 7.898 8.193 -0.295 18832 876 1 3 . 1 1 63 63 SER N N 63 109.700 109.700 114.022 -4.322 18832 877 1 3 . 1 1 63 63 SER HA H 63 4.200 4.200 4.177 0.023 18832 878 1 3 . 1 1 63 63 SER CA C 63 59.400 59.400 60.144 -0.744 18832 879 1 3 . 1 1 63 63 SER CB C 63 62.380 62.380 62.910 -0.530 18832 880 1 3 . 1 1 63 63 SER H H 63 8.030 8.030 8.425 -0.396 18832 881 1 3 . 1 1 64 64 TYR N N 64 120.300 120.300 114.694 5.606 18832 882 1 3 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.508 -0.258 18832 883 1 3 . 1 1 64 64 TYR CA C 64 57.720 57.720 55.722 1.998 18832 884 1 3 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.671 -0.111 18832 885 1 3 . 1 1 64 64 TYR H H 64 7.128 7.128 6.873 0.255 18832 886 1 3 . 1 1 65 65 ILE N N 65 118.000 118.000 121.241 -3.241 18832 887 1 3 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.882 -0.072 18832 888 1 3 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.264 -2.284 18832 889 1 3 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.422 0.208 18832 890 1 3 . 1 1 65 65 ILE H H 65 7.671 7.671 7.526 0.145 18832 891 1 3 . 1 1 66 66 HIS N N 66 124.300 124.300 127.042 -2.742 18832 892 1 3 . 1 1 66 66 HIS HA H 66 5.130 5.130 5.001 0.129 18832 893 1 3 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.329 -1.269 18832 894 1 3 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.244 -2.734 18832 895 1 3 . 1 1 66 66 HIS H H 66 9.159 9.159 8.674 0.485 18832 896 1 3 . 1 1 67 67 LEU N N 67 127.580 127.580 127.833 -0.253 18832 897 1 3 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.480 0.090 18832 898 1 3 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.571 -0.271 18832 899 1 3 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.343 -0.283 18832 900 1 3 . 1 1 67 67 LEU H H 67 8.992 8.992 8.776 0.216 18832 901 1 3 . 1 1 68 68 LYS N N 68 121.900 121.900 123.712 -1.812 18832 902 1 3 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.725 -0.235 18832 903 1 3 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.503 0.607 18832 904 1 3 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.328 0.282 18832 905 1 3 . 1 1 68 68 LYS H H 68 8.499 8.499 8.368 0.131 18832 906 1 3 . 1 1 69 69 GLU N N 69 122.190 122.190 119.398 2.792 18832 907 1 3 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.324 -0.044 18832 908 1 3 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.162 0.448 18832 909 1 3 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.211 2.119 18832 910 1 3 . 1 1 69 69 GLU H H 69 8.569 8.569 8.591 -0.022 18832 911 1 3 . 1 1 70 70 ALA N N 70 123.370 123.370 129.005 -5.635 18832 912 1 3 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.359 -0.159 18832 913 1 3 . 1 1 70 70 ALA CA C 70 51.810 51.810 51.512 0.298 18832 914 1 3 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.168 0.532 18832 915 1 3 . 1 1 70 70 ALA H H 70 8.181 8.181 7.886 0.295 18832 916 1 3 . 1 1 71 71 ILE N N 71 120.080 120.080 124.381 -4.301 18832 917 1 3 . 1 1 71 71 ILE HA H 71 4.070 4.070 3.923 0.147 18832 918 1 3 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.735 -1.405 18832 919 1 3 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.742 -0.052 18832 920 1 3 . 1 1 71 71 ILE H H 71 7.776 7.776 8.272 -0.496 18832 921 1 3 . 1 1 72 72 VAL N N 72 124.540 124.540 121.804 2.736 18832 922 1 3 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.335 -0.265 18832 923 1 3 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.709 -0.069 18832 924 1 3 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.339 0.351 18832 925 1 3 . 1 1 72 72 VAL H H 72 8.089 8.089 8.183 -0.094 18832 926 1 3 . 1 1 73 73 GLU N N 73 125.940 125.940 121.718 4.222 18832 927 1 3 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.625 -0.345 18832 928 1 3 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.741 0.869 18832 929 1 3 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.731 -0.021 18832 930 1 3 . 1 1 73 73 GLU H H 73 8.464 8.464 7.990 0.474 18832 931 1 4 . 1 1 2 2 THR N N 2 116.400 116.400 113.736 2.664 18832 932 1 4 . 1 1 2 2 THR HA H 2 4.120 4.120 4.706 -0.586 18832 933 1 4 . 1 1 2 2 THR CA C 2 62.100 62.100 61.634 0.466 18832 934 1 4 . 1 1 2 2 THR CB C 2 69.440 69.440 69.518 -0.078 18832 935 1 4 . 1 1 2 2 THR H H 2 8.150 8.150 8.156 -0.006 18832 936 1 4 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.373 -0.063 18832 937 1 4 . 1 1 3 3 ARG CA C 3 55.750 55.750 57.471 -1.721 18832 938 1 4 . 1 1 3 3 ARG CB C 3 30.620 30.620 30.727 -0.107 18832 939 1 4 . 1 1 4 4 TRP N N 4 123.300 123.300 120.187 3.113 18832 940 1 4 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.759 -0.279 18832 941 1 4 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.994 0.566 18832 942 1 4 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.100 -0.610 18832 943 1 4 . 1 1 4 4 TRP H H 4 8.108 8.108 8.121 -0.013 18832 944 1 4 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.266 0.304 18832 945 1 4 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.807 -1.967 18832 946 1 4 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.467 0.343 18832 947 1 4 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.687 -0.477 18832 948 1 4 . 1 1 7 7 THR HA H 7 4.270 4.270 3.939 0.331 18832 949 1 4 . 1 1 7 7 THR CA C 7 60.890 60.890 63.543 -2.653 18832 950 1 4 . 1 1 7 7 THR CB C 7 70.140 70.140 68.855 1.285 18832 951 1 4 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.327 0.113 18832 952 1 4 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.614 0.366 18832 953 1 4 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.574 1.476 18832 954 1 4 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.334 0.246 18832 955 1 4 . 1 1 10 10 GLU CA C 10 55.570 55.570 55.746 -0.176 18832 956 1 4 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.487 0.293 18832 957 1 4 . 1 1 11 11 GLU N N 11 122.500 122.500 121.371 1.129 18832 958 1 4 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.053 0.287 18832 959 1 4 . 1 1 11 11 GLU CA C 11 57.140 57.140 58.969 -1.829 18832 960 1 4 . 1 1 11 11 GLU CB C 11 29.400 29.400 29.764 -0.364 18832 961 1 4 . 1 1 11 11 GLU H H 11 8.271 8.271 8.707 -0.436 18832 962 1 4 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.024 0.356 18832 963 1 4 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.682 -0.892 18832 964 1 4 . 1 1 12 12 LYS CB C 12 33.600 33.600 32.760 0.840 18832 965 1 4 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.788 0.772 18832 966 1 4 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.477 -0.617 18832 967 1 4 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.780 0.660 18832 968 1 4 . 1 1 14 14 GLY N N 14 105.320 105.320 106.429 -1.109 18832 969 1 4 . 1 1 14 14 GLY CA C 14 45.240 45.240 45.190 0.050 18832 970 1 4 . 1 1 14 14 GLY H H 14 8.401 8.401 8.480 -0.079 18832 971 1 4 . 1 1 15 15 VAL N N 15 118.900 118.900 122.471 -3.571 18832 972 1 4 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.543 0.798 18832 973 1 4 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.897 -1.687 18832 974 1 4 . 1 1 15 15 VAL CB C 15 35.740 35.740 34.190 1.550 18832 975 1 4 . 1 1 15 15 VAL H H 15 8.851 8.851 8.878 -0.027 18832 976 1 4 . 1 1 16 16 ALA N N 16 129.460 129.460 126.219 3.241 18832 977 1 4 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.083 -0.083 18832 978 1 4 . 1 1 16 16 ALA CA C 16 52.000 52.000 49.808 2.192 18832 979 1 4 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.754 -2.424 18832 980 1 4 . 1 1 16 16 ALA H H 16 9.113 9.113 8.306 0.807 18832 981 1 4 . 1 1 17 17 PHE N N 17 124.070 124.070 122.117 1.953 18832 982 1 4 . 1 1 17 17 PHE HA H 17 4.801 4.801 5.059 -0.258 18832 983 1 4 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.829 0.401 18832 984 1 4 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.429 1.571 18832 985 1 4 . 1 1 17 17 PHE H H 17 8.787 8.787 7.491 1.296 18832 986 1 4 . 1 1 18 18 TYR N N 18 118.210 118.210 121.286 -3.076 18832 987 1 4 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.412 0.071 18832 988 1 4 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.627 -2.328 18832 989 1 4 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.289 0.521 18832 990 1 4 . 1 1 18 18 TYR H H 18 7.281 7.281 7.688 -0.407 18832 991 1 4 . 1 1 19 19 ASN N N 19 116.800 116.800 119.255 -2.455 18832 992 1 4 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.839 -0.129 18832 993 1 4 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.686 0.254 18832 994 1 4 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.471 0.590 18832 995 1 4 . 1 1 19 19 ASN H H 19 8.134 8.134 8.288 -0.154 18832 996 1 4 . 1 1 20 20 TYR N N 20 122.190 122.190 121.972 0.218 18832 997 1 4 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.583 0.104 18832 998 1 4 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.264 -0.544 18832 999 1 4 . 1 1 20 20 TYR CB C 20 42.250 42.250 39.895 2.354 18832 1000 1 4 . 1 1 20 20 TYR H H 20 8.993 8.993 7.908 1.085 18832 1001 1 4 . 1 1 21 21 ASP N N 21 128.520 128.520 123.352 5.168 18832 1002 1 4 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.634 0.156 18832 1003 1 4 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.868 0.502 18832 1004 1 4 . 1 1 21 21 ASP CB C 21 41.130 41.130 44.298 -3.168 18832 1005 1 4 . 1 1 21 21 ASP H H 21 7.838 7.838 7.934 -0.096 18832 1006 1 4 . 1 1 22 22 ALA N N 22 125.240 125.240 123.719 1.521 18832 1007 1 4 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.254 -0.203 18832 1008 1 4 . 1 1 22 22 ALA CA C 22 52.940 52.940 51.519 1.421 18832 1009 1 4 . 1 1 22 22 ALA CB C 22 20.450 20.450 20.237 0.213 18832 1010 1 4 . 1 1 22 22 ALA H H 22 8.103 8.103 8.173 -0.070 18832 1011 1 4 . 1 1 23 23 ARG N N 23 122.190 122.190 120.751 1.439 18832 1012 1 4 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.397 -0.051 18832 1013 1 4 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.013 -0.523 18832 1014 1 4 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.358 -0.658 18832 1015 1 4 . 1 1 23 23 ARG H H 23 8.887 8.887 8.650 0.237 18832 1016 1 4 . 1 1 24 24 GLY N N 24 105.320 105.320 106.301 -0.981 18832 1017 1 4 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.803 -0.303 18832 1018 1 4 . 1 1 24 24 GLY H H 24 7.258 7.258 7.457 -0.199 18832 1019 1 4 . 1 1 25 25 ALA N N 25 122.190 122.190 121.575 0.615 18832 1020 1 4 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.344 -0.178 18832 1021 1 4 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.826 0.614 18832 1022 1 4 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.349 -0.579 18832 1023 1 4 . 1 1 25 25 ALA H H 25 8.627 8.627 8.254 0.373 18832 1024 1 4 . 1 1 26 26 ASP N N 26 114.690 114.690 116.631 -1.941 18832 1025 1 4 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.453 0.247 18832 1026 1 4 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.164 -2.294 18832 1027 1 4 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.194 -0.804 18832 1028 1 4 . 1 1 26 26 ASP H H 26 8.955 8.955 8.649 0.306 18832 1029 1 4 . 1 1 27 27 GLU N N 27 118.910 118.910 116.299 2.611 18832 1030 1 4 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.828 0.374 18832 1031 1 4 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.283 -0.353 18832 1032 1 4 . 1 1 27 27 GLU CB C 27 32.880 32.880 33.166 -0.285 18832 1033 1 4 . 1 1 27 27 GLU H H 27 7.537 7.537 7.479 0.058 18832 1034 1 4 . 1 1 28 28 LEU N N 28 121.490 121.490 119.663 1.827 18832 1035 1 4 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.687 0.069 18832 1036 1 4 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.094 -0.974 18832 1037 1 4 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.517 -1.017 18832 1038 1 4 . 1 1 28 28 LEU H H 28 8.890 8.890 8.629 0.261 18832 1039 1 4 . 1 1 29 29 SER N N 29 115.870 115.870 118.798 -2.928 18832 1040 1 4 . 1 1 29 29 SER HA H 29 5.009 5.009 4.247 0.762 18832 1041 1 4 . 1 1 29 29 SER CA C 29 58.470 58.470 58.889 -0.419 18832 1042 1 4 . 1 1 29 29 SER CB C 29 63.690 63.690 63.523 0.167 18832 1043 1 4 . 1 1 29 29 SER H H 29 7.948 7.948 8.363 -0.415 18832 1044 1 4 . 1 1 30 30 LEU N N 30 121.260 121.260 128.166 -6.906 18832 1045 1 4 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.652 0.124 18832 1046 1 4 . 1 1 30 30 LEU CA C 30 52.940 52.940 53.594 -0.655 18832 1047 1 4 . 1 1 30 30 LEU CB C 30 46.370 46.370 44.779 1.591 18832 1048 1 4 . 1 1 30 30 LEU H H 30 9.500 9.500 8.380 1.120 18832 1049 1 4 . 1 1 31 31 GLN N N 31 123.130 123.130 119.770 3.360 18832 1050 1 4 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.131 -0.066 18832 1051 1 4 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.808 -0.868 18832 1052 1 4 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.600 -2.410 18832 1053 1 4 . 1 1 31 31 GLN H H 31 9.147 9.147 8.420 0.727 18832 1054 1 4 . 1 1 32 32 ILE N N 32 120.790 120.790 120.311 0.479 18832 1055 1 4 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.132 -1.100 18832 1056 1 4 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.261 0.989 18832 1057 1 4 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.967 -0.027 18832 1058 1 4 . 1 1 32 32 ILE H H 32 8.016 8.016 8.261 -0.245 18832 1059 1 4 . 1 1 33 33 GLY N N 33 115.870 115.870 114.473 1.397 18832 1060 1 4 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.795 -0.295 18832 1061 1 4 . 1 1 33 33 GLY H H 33 8.775 8.775 8.927 -0.152 18832 1062 1 4 . 1 1 34 34 ASP N N 34 122.430 122.430 121.971 0.459 18832 1063 1 4 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.907 -0.273 18832 1064 1 4 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.274 1.586 18832 1065 1 4 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.400 -1.090 18832 1066 1 4 . 1 1 34 34 ASP H H 34 8.686 8.686 7.790 0.896 18832 1067 1 4 . 1 1 35 35 THR N N 35 117.980 117.980 117.286 0.694 18832 1068 1 4 . 1 1 35 35 THR HA H 35 5.154 5.154 4.862 0.292 18832 1069 1 4 . 1 1 35 35 THR CA C 35 61.450 61.450 62.240 -0.790 18832 1070 1 4 . 1 1 35 35 THR CB C 35 69.090 69.090 70.161 -1.071 18832 1071 1 4 . 1 1 35 35 THR H H 35 8.392 8.392 8.579 -0.187 18832 1072 1 4 . 1 1 36 36 VAL N N 36 118.200 118.200 117.431 0.769 18832 1073 1 4 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.693 0.459 18832 1074 1 4 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.998 -2.088 18832 1075 1 4 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.780 -0.590 18832 1076 1 4 . 1 1 36 36 VAL H H 36 9.016 9.016 9.102 -0.086 18832 1077 1 4 . 1 1 37 37 HIS N N 37 122.190 122.190 125.058 -2.868 18832 1078 1 4 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.825 -0.014 18832 1079 1 4 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.944 -1.384 18832 1080 1 4 . 1 1 37 37 HIS CB C 37 31.260 31.260 29.952 1.308 18832 1081 1 4 . 1 1 37 37 HIS H H 37 8.491 8.491 8.744 -0.253 18832 1082 1 4 . 1 1 38 38 ILE N N 38 126.650 126.650 127.781 -1.131 18832 1083 1 4 . 1 1 38 38 ILE HA H 38 3.750 3.750 3.974 -0.224 18832 1084 1 4 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.542 -0.902 18832 1085 1 4 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.056 1.824 18832 1086 1 4 . 1 1 38 38 ILE H H 38 8.638 8.638 8.557 0.081 18832 1087 1 4 . 1 1 39 39 LEU N N 39 126.180 126.180 129.749 -3.569 18832 1088 1 4 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.574 -0.194 18832 1089 1 4 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.448 0.042 18832 1090 1 4 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.501 0.249 18832 1091 1 4 . 1 1 39 39 LEU H H 39 9.163 9.163 8.327 0.836 18832 1092 1 4 . 1 1 40 40 GLU N N 40 115.160 115.160 116.366 -1.206 18832 1093 1 4 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.491 0.529 18832 1094 1 4 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.198 -0.108 18832 1095 1 4 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.634 2.096 18832 1096 1 4 . 1 1 40 40 GLU H H 40 7.852 7.852 8.013 -0.161 18832 1097 1 4 . 1 1 41 41 THR HA H 41 4.270 4.270 4.537 -0.267 18832 1098 1 4 . 1 1 41 41 THR CA C 41 61.250 61.250 61.386 -0.136 18832 1099 1 4 . 1 1 41 41 THR CB C 41 71.410 71.410 70.957 0.453 18832 1100 1 4 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.156 0.394 18832 1101 1 4 . 1 1 43 43 GLU N N 43 124.100 124.100 118.917 5.183 18832 1102 1 4 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.120 -0.380 18832 1103 1 4 . 1 1 43 43 GLU H H 43 8.590 8.590 8.456 0.134 18832 1104 1 4 . 1 1 44 44 GLY N N 44 110.789 110.789 108.083 2.706 18832 1105 1 4 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.387 0.053 18832 1106 1 4 . 1 1 44 44 GLY H H 44 8.432 8.432 8.675 -0.243 18832 1107 1 4 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.595 0.095 18832 1108 1 4 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.491 2.059 18832 1109 1 4 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.574 1.026 18832 1110 1 4 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.693 -0.633 18832 1111 1 4 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.132 1.518 18832 1112 1 4 . 1 1 47 47 ARG N N 47 118.100 118.100 123.010 -4.910 18832 1113 1 4 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.883 0.211 18832 1114 1 4 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.995 -0.935 18832 1115 1 4 . 1 1 47 47 ARG CB C 47 33.250 33.250 32.030 1.220 18832 1116 1 4 . 1 1 47 47 ARG H H 47 8.492 8.492 8.107 0.385 18832 1117 1 4 . 1 1 48 48 GLY N N 48 114.000 114.000 113.922 0.078 18832 1118 1 4 . 1 1 48 48 GLY CA C 48 46.560 46.560 43.905 2.655 18832 1119 1 4 . 1 1 48 48 GLY H H 48 9.183 9.183 8.158 1.025 18832 1120 1 4 . 1 1 49 49 TYR N N 49 116.100 116.100 116.925 -0.825 18832 1121 1 4 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.089 0.284 18832 1122 1 4 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.196 -0.086 18832 1123 1 4 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.855 0.895 18832 1124 1 4 . 1 1 49 49 TYR H H 49 8.194 8.194 8.244 -0.050 18832 1125 1 4 . 1 1 50 50 THR N N 50 112.350 112.350 116.712 -4.362 18832 1126 1 4 . 1 1 50 50 THR HA H 50 5.105 5.105 4.486 0.619 18832 1127 1 4 . 1 1 50 50 THR CA C 50 59.770 59.770 62.161 -2.391 18832 1128 1 4 . 1 1 50 50 THR CB C 50 69.460 69.460 69.760 -0.299 18832 1129 1 4 . 1 1 50 50 THR H H 50 9.441 9.441 8.848 0.593 18832 1130 1 4 . 1 1 51 51 LEU N N 51 121.260 121.260 122.783 -1.523 18832 1131 1 4 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.161 0.075 18832 1132 1 4 . 1 1 51 51 LEU CA C 51 56.790 56.790 58.069 -1.279 18832 1133 1 4 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.171 -1.171 18832 1134 1 4 . 1 1 51 51 LEU H H 51 8.310 8.310 8.247 0.063 18832 1135 1 4 . 1 1 52 52 ARG N N 52 116.570 116.570 119.340 -2.770 18832 1136 1 4 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.186 0.064 18832 1137 1 4 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.675 -0.326 18832 1138 1 4 . 1 1 52 52 ARG CB C 52 30.510 30.510 29.779 0.732 18832 1139 1 4 . 1 1 52 52 ARG H H 52 8.047 8.047 8.446 -0.399 18832 1140 1 4 . 1 1 53 53 LYS N N 53 122.660 122.660 119.361 3.299 18832 1141 1 4 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.600 0.016 18832 1142 1 4 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.368 -0.748 18832 1143 1 4 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.782 1.077 18832 1144 1 4 . 1 1 53 53 LYS H H 53 7.649 7.649 8.096 -0.447 18832 1145 1 4 . 1 1 54 54 LYS N N 54 125.010 125.010 121.517 3.493 18832 1146 1 4 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.413 -0.323 18832 1147 1 4 . 1 1 54 54 LYS CA C 54 58.470 58.470 57.983 0.487 18832 1148 1 4 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.478 -0.348 18832 1149 1 4 . 1 1 54 54 LYS H H 54 8.496 8.496 8.754 -0.258 18832 1150 1 4 . 1 1 55 55 SER N N 55 110.240 110.240 113.145 -2.905 18832 1151 1 4 . 1 1 55 55 SER HA H 55 4.122 4.122 4.360 -0.238 18832 1152 1 4 . 1 1 55 55 SER CA C 55 58.960 58.960 59.667 -0.707 18832 1153 1 4 . 1 1 55 55 SER CB C 55 63.310 63.310 63.676 -0.366 18832 1154 1 4 . 1 1 55 55 SER H H 55 7.857 7.857 7.927 -0.070 18832 1155 1 4 . 1 1 56 56 LYS N N 56 124.070 124.070 122.080 1.990 18832 1156 1 4 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.447 0.221 18832 1157 1 4 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.902 -1.092 18832 1158 1 4 . 1 1 56 56 LYS CB C 56 33.250 33.250 34.865 -1.615 18832 1159 1 4 . 1 1 56 56 LYS H H 56 7.473 7.473 7.506 -0.033 18832 1160 1 4 . 1 1 57 57 LYS N N 57 125.940 125.940 121.352 4.588 18832 1161 1 4 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.528 0.813 18832 1162 1 4 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.208 -0.588 18832 1163 1 4 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.964 -0.724 18832 1164 1 4 . 1 1 57 57 LYS H H 57 8.474 8.474 8.339 0.135 18832 1165 1 4 . 1 1 58 58 GLY N N 58 109.540 109.540 109.642 -0.102 18832 1166 1 4 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.036 1.583 18832 1167 1 4 . 1 1 58 58 GLY H H 58 9.075 9.075 8.582 0.493 18832 1168 1 4 . 1 1 59 59 ILE N N 59 113.900 113.900 114.612 -0.712 18832 1169 1 4 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.118 0.882 18832 1170 1 4 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.604 0.986 18832 1171 1 4 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.613 -0.473 18832 1172 1 4 . 1 1 59 59 ILE H H 59 8.628 8.628 8.122 0.506 18832 1173 1 4 . 1 1 60 60 PHE N N 60 117.040 117.040 116.937 0.103 18832 1174 1 4 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.412 -0.292 18832 1175 1 4 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.334 -1.274 18832 1176 1 4 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.050 -2.860 18832 1177 1 4 . 1 1 60 60 PHE H H 60 8.724 8.724 8.684 0.040 18832 1178 1 4 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.686 -1.206 18832 1179 1 4 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.148 0.052 18832 1180 1 4 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.958 -1.768 18832 1181 1 4 . 1 1 62 62 ALA N N 62 124.770 124.770 126.043 -1.273 18832 1182 1 4 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.015 -0.305 18832 1183 1 4 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.207 0.163 18832 1184 1 4 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.161 -0.511 18832 1185 1 4 . 1 1 62 62 ALA H H 62 7.898 7.898 8.201 -0.303 18832 1186 1 4 . 1 1 63 63 SER N N 63 109.700 109.700 114.703 -5.003 18832 1187 1 4 . 1 1 63 63 SER HA H 63 4.200 4.200 4.161 0.039 18832 1188 1 4 . 1 1 63 63 SER CA C 63 59.400 59.400 60.535 -1.135 18832 1189 1 4 . 1 1 63 63 SER CB C 63 62.380 62.380 62.854 -0.474 18832 1190 1 4 . 1 1 63 63 SER H H 63 8.030 8.030 8.379 -0.349 18832 1191 1 4 . 1 1 64 64 TYR N N 64 120.300 120.300 112.917 7.383 18832 1192 1 4 . 1 1 64 64 TYR HA H 64 4.250 4.250 5.163 -0.913 18832 1193 1 4 . 1 1 64 64 TYR CA C 64 57.720 57.720 55.113 2.607 18832 1194 1 4 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.235 -0.675 18832 1195 1 4 . 1 1 64 64 TYR H H 64 7.128 7.128 7.040 0.088 18832 1196 1 4 . 1 1 65 65 ILE N N 65 118.000 118.000 121.186 -3.186 18832 1197 1 4 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.683 0.127 18832 1198 1 4 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.277 -2.297 18832 1199 1 4 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.431 0.200 18832 1200 1 4 . 1 1 65 65 ILE H H 65 7.671 7.671 7.494 0.177 18832 1201 1 4 . 1 1 66 66 HIS N N 66 124.300 124.300 125.623 -1.323 18832 1202 1 4 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.860 0.270 18832 1203 1 4 . 1 1 66 66 HIS CA C 66 53.060 53.060 55.322 -2.262 18832 1204 1 4 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.672 -2.162 18832 1205 1 4 . 1 1 66 66 HIS H H 66 9.159 9.159 8.688 0.471 18832 1206 1 4 . 1 1 67 67 LEU N N 67 127.580 127.580 127.190 0.390 18832 1207 1 4 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.420 0.150 18832 1208 1 4 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.733 -0.433 18832 1209 1 4 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.276 -0.216 18832 1210 1 4 . 1 1 67 67 LEU H H 67 8.992 8.992 8.470 0.522 18832 1211 1 4 . 1 1 68 68 LYS N N 68 121.900 121.900 123.078 -1.178 18832 1212 1 4 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.413 0.077 18832 1213 1 4 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.458 -0.348 18832 1214 1 4 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.404 1.206 18832 1215 1 4 . 1 1 68 68 LYS H H 68 8.499 8.499 7.984 0.515 18832 1216 1 4 . 1 1 69 69 GLU N N 69 122.190 122.190 119.650 2.540 18832 1217 1 4 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.532 -0.252 18832 1218 1 4 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.723 0.887 18832 1219 1 4 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.525 0.805 18832 1220 1 4 . 1 1 69 69 GLU H H 69 8.569 8.569 8.506 0.063 18832 1221 1 4 . 1 1 70 70 ALA N N 70 123.370 123.370 122.681 0.689 18832 1222 1 4 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.279 -0.079 18832 1223 1 4 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.442 -0.632 18832 1224 1 4 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.002 1.698 18832 1225 1 4 . 1 1 70 70 ALA H H 70 8.181 8.181 8.333 -0.152 18832 1226 1 4 . 1 1 71 71 ILE N N 71 120.080 120.080 115.326 4.754 18832 1227 1 4 . 1 1 71 71 ILE HA H 71 4.070 4.070 3.904 0.166 18832 1228 1 4 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.944 -0.613 18832 1229 1 4 . 1 1 71 71 ILE CB C 71 38.690 38.690 37.938 0.752 18832 1230 1 4 . 1 1 71 71 ILE H H 71 7.776 7.776 7.926 -0.150 18832 1231 1 4 . 1 1 72 72 VAL N N 72 124.540 124.540 121.853 2.687 18832 1232 1 4 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.396 -0.326 18832 1233 1 4 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.192 -0.552 18832 1234 1 4 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.047 0.643 18832 1235 1 4 . 1 1 72 72 VAL H H 72 8.089 8.089 8.266 -0.177 18832 1236 1 4 . 1 1 73 73 GLU N N 73 125.940 125.940 126.960 -1.020 18832 1237 1 4 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.665 -0.385 18832 1238 1 4 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.554 0.056 18832 1239 1 4 . 1 1 73 73 GLU CB C 73 30.710 30.710 31.733 -1.023 18832 1240 1 4 . 1 1 73 73 GLU H H 73 8.464 8.464 8.796 -0.332 18832 1241 1 5 . 1 1 2 2 THR N N 2 116.400 116.400 114.194 2.206 18832 1242 1 5 . 1 1 2 2 THR HA H 2 4.120 4.120 4.703 -0.583 18832 1243 1 5 . 1 1 2 2 THR CA C 2 62.100 62.100 61.646 0.454 18832 1244 1 5 . 1 1 2 2 THR CB C 2 69.440 69.440 70.296 -0.856 18832 1245 1 5 . 1 1 2 2 THR H H 2 8.150 8.150 8.065 0.085 18832 1246 1 5 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.529 -0.219 18832 1247 1 5 . 1 1 3 3 ARG CA C 3 55.750 55.750 56.151 -0.401 18832 1248 1 5 . 1 1 3 3 ARG CB C 3 30.620 30.620 30.196 0.424 18832 1249 1 5 . 1 1 4 4 TRP N N 4 123.300 123.300 122.028 1.272 18832 1250 1 5 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.549 -0.069 18832 1251 1 5 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.368 1.192 18832 1252 1 5 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.318 -0.828 18832 1253 1 5 . 1 1 4 4 TRP H H 4 8.108 8.108 7.530 0.578 18832 1254 1 5 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.612 -0.042 18832 1255 1 5 . 1 1 5 5 VAL CB C 5 30.840 30.840 33.236 -2.396 18832 1256 1 5 . 1 1 6 6 PRO HA H 6 4.810 4.810 5.230 -0.420 18832 1257 1 5 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.571 -0.361 18832 1258 1 5 . 1 1 7 7 THR HA H 7 4.270 4.270 4.417 -0.147 18832 1259 1 5 . 1 1 7 7 THR CA C 7 60.890 60.890 60.989 -0.099 18832 1260 1 5 . 1 1 7 7 THR CB C 7 70.140 70.140 68.823 1.317 18832 1261 1 5 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.353 0.087 18832 1262 1 5 . 1 1 8 8 LYS CA C 8 55.980 55.980 56.609 -0.629 18832 1263 1 5 . 1 1 8 8 LYS CB C 8 35.050 35.050 31.310 3.740 18832 1264 1 5 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.019 0.561 18832 1265 1 5 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.970 -1.400 18832 1266 1 5 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.173 0.607 18832 1267 1 5 . 1 1 11 11 GLU N N 11 122.500 122.500 122.721 -0.221 18832 1268 1 5 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.079 0.261 18832 1269 1 5 . 1 1 11 11 GLU CA C 11 57.140 57.140 58.869 -1.729 18832 1270 1 5 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.096 -0.696 18832 1271 1 5 . 1 1 11 11 GLU H H 11 8.271 8.271 8.830 -0.559 18832 1272 1 5 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.124 0.256 18832 1273 1 5 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.560 -0.770 18832 1274 1 5 . 1 1 12 12 LYS CB C 12 33.600 33.600 35.192 -1.592 18832 1275 1 5 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.753 0.807 18832 1276 1 5 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.332 0.528 18832 1277 1 5 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.627 2.813 18832 1278 1 5 . 1 1 14 14 GLY N N 14 105.320 105.320 106.163 -0.843 18832 1279 1 5 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.197 1.043 18832 1280 1 5 . 1 1 14 14 GLY H H 14 8.401 8.401 8.384 0.017 18832 1281 1 5 . 1 1 15 15 VAL N N 15 118.900 118.900 119.424 -0.524 18832 1282 1 5 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.476 0.865 18832 1283 1 5 . 1 1 15 15 VAL CA C 15 59.210 59.210 61.069 -1.859 18832 1284 1 5 . 1 1 15 15 VAL CB C 15 35.740 35.740 33.310 2.430 18832 1285 1 5 . 1 1 15 15 VAL H H 15 8.851 8.851 8.715 0.136 18832 1286 1 5 . 1 1 16 16 ALA N N 16 129.460 129.460 127.718 1.742 18832 1287 1 5 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.617 0.383 18832 1288 1 5 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.218 1.782 18832 1289 1 5 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.270 -0.940 18832 1290 1 5 . 1 1 16 16 ALA H H 16 9.113 9.113 8.626 0.487 18832 1291 1 5 . 1 1 17 17 PHE N N 17 124.070 124.070 121.664 2.406 18832 1292 1 5 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.991 -0.190 18832 1293 1 5 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.811 0.419 18832 1294 1 5 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.025 1.975 18832 1295 1 5 . 1 1 17 17 PHE H H 17 8.787 8.787 7.104 1.683 18832 1296 1 5 . 1 1 18 18 TYR N N 18 118.210 118.210 124.208 -5.998 18832 1297 1 5 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.497 -0.014 18832 1298 1 5 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.872 -2.572 18832 1299 1 5 . 1 1 18 18 TYR CB C 18 42.810 42.810 43.046 -0.236 18832 1300 1 5 . 1 1 18 18 TYR H H 18 7.281 7.281 7.606 -0.325 18832 1301 1 5 . 1 1 19 19 ASN N N 19 116.800 116.800 119.813 -3.013 18832 1302 1 5 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.786 -0.076 18832 1303 1 5 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.292 0.648 18832 1304 1 5 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.730 0.330 18832 1305 1 5 . 1 1 19 19 ASN H H 19 8.134 8.134 7.628 0.506 18832 1306 1 5 . 1 1 20 20 TYR N N 20 122.190 122.190 122.216 -0.026 18832 1307 1 5 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.604 0.083 18832 1308 1 5 . 1 1 20 20 TYR CA C 20 57.720 57.720 59.176 -1.456 18832 1309 1 5 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.124 2.126 18832 1310 1 5 . 1 1 20 20 TYR H H 20 8.993 8.993 8.102 0.891 18832 1311 1 5 . 1 1 21 21 ASP N N 21 128.520 128.520 127.485 1.035 18832 1312 1 5 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.938 -0.148 18832 1313 1 5 . 1 1 21 21 ASP CA C 21 52.370 52.370 53.170 -0.800 18832 1314 1 5 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.254 -1.124 18832 1315 1 5 . 1 1 21 21 ASP H H 21 7.838 7.838 8.198 -0.360 18832 1316 1 5 . 1 1 22 22 ALA N N 22 125.240 125.240 123.901 1.339 18832 1317 1 5 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.434 -0.383 18832 1318 1 5 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.126 -0.186 18832 1319 1 5 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.666 0.784 18832 1320 1 5 . 1 1 22 22 ALA H H 22 8.103 8.103 8.543 -0.440 18832 1321 1 5 . 1 1 23 23 ARG N N 23 122.190 122.190 122.263 -0.073 18832 1322 1 5 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.586 -0.240 18832 1323 1 5 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.312 -0.822 18832 1324 1 5 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.304 -0.604 18832 1325 1 5 . 1 1 23 23 ARG H H 23 8.887 8.887 9.110 -0.223 18832 1326 1 5 . 1 1 24 24 GLY N N 24 105.320 105.320 106.378 -1.058 18832 1327 1 5 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.876 -0.376 18832 1328 1 5 . 1 1 24 24 GLY H H 24 7.258 7.258 7.575 -0.317 18832 1329 1 5 . 1 1 25 25 ALA N N 25 122.190 122.190 121.467 0.723 18832 1330 1 5 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.272 -0.106 18832 1331 1 5 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.900 0.540 18832 1332 1 5 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.118 -0.348 18832 1333 1 5 . 1 1 25 25 ALA H H 25 8.627 8.627 8.476 0.151 18832 1334 1 5 . 1 1 26 26 ASP N N 26 114.690 114.690 115.816 -1.126 18832 1335 1 5 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.390 0.310 18832 1336 1 5 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.044 -2.174 18832 1337 1 5 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.114 -0.724 18832 1338 1 5 . 1 1 26 26 ASP H H 26 8.955 8.955 8.632 0.323 18832 1339 1 5 . 1 1 27 27 GLU N N 27 118.910 118.910 115.834 3.076 18832 1340 1 5 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.688 0.514 18832 1341 1 5 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.117 -0.187 18832 1342 1 5 . 1 1 27 27 GLU CB C 27 32.880 32.880 33.410 -0.530 18832 1343 1 5 . 1 1 27 27 GLU H H 27 7.537 7.537 7.597 -0.060 18832 1344 1 5 . 1 1 28 28 LEU N N 28 121.490 121.490 119.799 1.691 18832 1345 1 5 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.711 0.045 18832 1346 1 5 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.072 -0.952 18832 1347 1 5 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.878 -0.378 18832 1348 1 5 . 1 1 28 28 LEU H H 28 8.890 8.890 8.487 0.403 18832 1349 1 5 . 1 1 29 29 SER N N 29 115.870 115.870 118.897 -3.027 18832 1350 1 5 . 1 1 29 29 SER HA H 29 5.009 5.009 4.678 0.331 18832 1351 1 5 . 1 1 29 29 SER CA C 29 58.470 58.470 59.350 -0.880 18832 1352 1 5 . 1 1 29 29 SER CB C 29 63.690 63.690 63.676 0.014 18832 1353 1 5 . 1 1 29 29 SER H H 29 7.948 7.948 8.475 -0.527 18832 1354 1 5 . 1 1 30 30 LEU N N 30 121.260 121.260 128.122 -6.862 18832 1355 1 5 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.740 0.036 18832 1356 1 5 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.027 -1.087 18832 1357 1 5 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.408 0.962 18832 1358 1 5 . 1 1 30 30 LEU H H 30 9.500 9.500 8.336 1.164 18832 1359 1 5 . 1 1 31 31 GLN N N 31 123.130 123.130 122.254 0.876 18832 1360 1 5 . 1 1 31 31 GLN HA H 31 5.065 5.065 4.776 0.289 18832 1361 1 5 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.905 -0.965 18832 1362 1 5 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.741 -1.551 18832 1363 1 5 . 1 1 31 31 GLN H H 31 9.147 9.147 8.484 0.663 18832 1364 1 5 . 1 1 32 32 ILE N N 32 120.790 120.790 120.674 0.116 18832 1365 1 5 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.196 -1.164 18832 1366 1 5 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.157 1.093 18832 1367 1 5 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.925 0.015 18832 1368 1 5 . 1 1 32 32 ILE H H 32 8.016 8.016 8.622 -0.606 18832 1369 1 5 . 1 1 33 33 GLY N N 33 115.870 115.870 114.933 0.937 18832 1370 1 5 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.841 -0.341 18832 1371 1 5 . 1 1 33 33 GLY H H 33 8.775 8.775 8.929 -0.154 18832 1372 1 5 . 1 1 34 34 ASP N N 34 122.430 122.430 122.187 0.243 18832 1373 1 5 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.923 -0.289 18832 1374 1 5 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.646 2.214 18832 1375 1 5 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.187 -0.877 18832 1376 1 5 . 1 1 34 34 ASP H H 34 8.686 8.686 7.728 0.958 18832 1377 1 5 . 1 1 35 35 THR N N 35 117.980 117.980 116.622 1.358 18832 1378 1 5 . 1 1 35 35 THR HA H 35 5.154 5.154 5.038 0.116 18832 1379 1 5 . 1 1 35 35 THR CA C 35 61.450 61.450 61.801 -0.351 18832 1380 1 5 . 1 1 35 35 THR CB C 35 69.090 69.090 70.071 -0.981 18832 1381 1 5 . 1 1 35 35 THR H H 35 8.392 8.392 8.357 0.035 18832 1382 1 5 . 1 1 36 36 VAL N N 36 118.200 118.200 116.868 1.332 18832 1383 1 5 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.582 0.570 18832 1384 1 5 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.379 -2.469 18832 1385 1 5 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.691 -0.501 18832 1386 1 5 . 1 1 36 36 VAL H H 36 9.016 9.016 8.980 0.036 18832 1387 1 5 . 1 1 37 37 HIS N N 37 122.190 122.190 125.851 -3.661 18832 1388 1 5 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.934 -0.123 18832 1389 1 5 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.272 -0.712 18832 1390 1 5 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.800 0.460 18832 1391 1 5 . 1 1 37 37 HIS H H 37 8.491 8.491 8.651 -0.160 18832 1392 1 5 . 1 1 38 38 ILE N N 38 126.650 126.650 126.580 0.070 18832 1393 1 5 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.200 -0.450 18832 1394 1 5 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.543 -0.903 18832 1395 1 5 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.393 0.487 18832 1396 1 5 . 1 1 38 38 ILE H H 38 8.638 8.638 8.733 -0.095 18832 1397 1 5 . 1 1 39 39 LEU N N 39 126.180 126.180 122.699 3.481 18832 1398 1 5 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.977 -0.597 18832 1399 1 5 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.870 0.620 18832 1400 1 5 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.763 -0.013 18832 1401 1 5 . 1 1 39 39 LEU H H 39 9.163 9.163 9.027 0.136 18832 1402 1 5 . 1 1 40 40 GLU N N 40 115.160 115.160 118.383 -3.223 18832 1403 1 5 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.806 0.214 18832 1404 1 5 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.182 -0.092 18832 1405 1 5 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.120 1.610 18832 1406 1 5 . 1 1 40 40 GLU H H 40 7.852 7.852 7.873 -0.021 18832 1407 1 5 . 1 1 41 41 THR HA H 41 4.270 4.270 4.623 -0.353 18832 1408 1 5 . 1 1 41 41 THR CA C 41 61.250 61.250 59.286 1.964 18832 1409 1 5 . 1 1 41 41 THR CB C 41 71.410 71.410 70.729 0.681 18832 1410 1 5 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.354 0.196 18832 1411 1 5 . 1 1 43 43 GLU N N 43 124.100 124.100 120.352 3.748 18832 1412 1 5 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.123 -0.383 18832 1413 1 5 . 1 1 43 43 GLU H H 43 8.590 8.590 8.056 0.534 18832 1414 1 5 . 1 1 44 44 GLY N N 44 110.789 110.789 109.412 1.377 18832 1415 1 5 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.406 0.035 18832 1416 1 5 . 1 1 44 44 GLY H H 44 8.432 8.432 8.887 -0.455 18832 1417 1 5 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.742 -0.052 18832 1418 1 5 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.093 1.457 18832 1419 1 5 . 1 1 46 46 TYR HA H 46 5.600 5.600 5.075 0.525 18832 1420 1 5 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.745 -0.685 18832 1421 1 5 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.311 1.339 18832 1422 1 5 . 1 1 47 47 ARG N N 47 118.100 118.100 120.418 -2.318 18832 1423 1 5 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.088 0.006 18832 1424 1 5 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.174 -0.114 18832 1425 1 5 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.429 -1.179 18832 1426 1 5 . 1 1 47 47 ARG H H 47 8.492 8.492 8.901 -0.409 18832 1427 1 5 . 1 1 48 48 GLY N N 48 114.000 114.000 111.197 2.803 18832 1428 1 5 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.972 0.588 18832 1429 1 5 . 1 1 48 48 GLY H H 48 9.183 9.183 8.722 0.461 18832 1430 1 5 . 1 1 49 49 TYR N N 49 116.100 116.100 115.409 0.691 18832 1431 1 5 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.364 0.009 18832 1432 1 5 . 1 1 49 49 TYR CA C 49 55.110 55.110 54.908 0.202 18832 1433 1 5 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.765 -0.015 18832 1434 1 5 . 1 1 49 49 TYR H H 49 8.194 8.194 8.292 -0.098 18832 1435 1 5 . 1 1 50 50 THR N N 50 112.350 112.350 115.715 -3.365 18832 1436 1 5 . 1 1 50 50 THR HA H 50 5.105 5.105 4.465 0.640 18832 1437 1 5 . 1 1 50 50 THR CA C 50 59.770 59.770 61.279 -1.508 18832 1438 1 5 . 1 1 50 50 THR CB C 50 69.460 69.460 69.567 -0.107 18832 1439 1 5 . 1 1 50 50 THR H H 50 9.441 9.441 8.717 0.724 18832 1440 1 5 . 1 1 51 51 LEU N N 51 121.260 121.260 121.657 -0.397 18832 1441 1 5 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.066 0.170 18832 1442 1 5 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.115 -0.325 18832 1443 1 5 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.082 -1.082 18832 1444 1 5 . 1 1 51 51 LEU H H 51 8.310 8.310 8.205 0.105 18832 1445 1 5 . 1 1 52 52 ARG N N 52 116.570 116.570 119.243 -2.673 18832 1446 1 5 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.170 0.080 18832 1447 1 5 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.565 -1.215 18832 1448 1 5 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.525 -0.015 18832 1449 1 5 . 1 1 52 52 ARG H H 52 8.047 8.047 8.260 -0.213 18832 1450 1 5 . 1 1 53 53 LYS N N 53 122.660 122.660 119.278 3.382 18832 1451 1 5 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.545 0.071 18832 1452 1 5 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.411 -0.791 18832 1453 1 5 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.342 1.518 18832 1454 1 5 . 1 1 53 53 LYS H H 53 7.649 7.649 8.168 -0.519 18832 1455 1 5 . 1 1 54 54 LYS N N 54 125.010 125.010 122.494 2.516 18832 1456 1 5 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.306 -0.216 18832 1457 1 5 . 1 1 54 54 LYS CA C 54 58.470 58.470 59.291 -0.821 18832 1458 1 5 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.734 -0.604 18832 1459 1 5 . 1 1 54 54 LYS H H 54 8.496 8.496 8.162 0.334 18832 1460 1 5 . 1 1 55 55 SER N N 55 110.240 110.240 113.770 -3.530 18832 1461 1 5 . 1 1 55 55 SER HA H 55 4.122 4.122 4.252 -0.130 18832 1462 1 5 . 1 1 55 55 SER CA C 55 58.960 58.960 59.433 -0.473 18832 1463 1 5 . 1 1 55 55 SER CB C 55 63.310 63.310 63.457 -0.147 18832 1464 1 5 . 1 1 55 55 SER H H 55 7.857 7.857 8.188 -0.331 18832 1465 1 5 . 1 1 56 56 LYS N N 56 124.070 124.070 121.403 2.667 18832 1466 1 5 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.231 0.437 18832 1467 1 5 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.778 -1.968 18832 1468 1 5 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.172 0.078 18832 1469 1 5 . 1 1 56 56 LYS H H 56 7.473 7.473 7.925 -0.452 18832 1470 1 5 . 1 1 57 57 LYS N N 57 125.940 125.940 121.799 4.141 18832 1471 1 5 . 1 1 57 57 LYS HA H 57 5.341 5.341 5.059 0.282 18832 1472 1 5 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.026 -0.406 18832 1473 1 5 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.516 -2.276 18832 1474 1 5 . 1 1 57 57 LYS H H 57 8.474 8.474 8.179 0.295 18832 1475 1 5 . 1 1 58 58 GLY N N 58 109.540 109.540 109.214 0.326 18832 1476 1 5 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.828 0.792 18832 1477 1 5 . 1 1 58 58 GLY H H 58 9.075 9.075 8.596 0.479 18832 1478 1 5 . 1 1 59 59 ILE N N 59 113.900 113.900 115.715 -1.815 18832 1479 1 5 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.062 0.938 18832 1480 1 5 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.604 0.986 18832 1481 1 5 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.230 0.910 18832 1482 1 5 . 1 1 59 59 ILE H H 59 8.628 8.628 7.937 0.691 18832 1483 1 5 . 1 1 60 60 PHE N N 60 117.040 117.040 117.335 -0.295 18832 1484 1 5 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.273 -0.153 18832 1485 1 5 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.803 -0.744 18832 1486 1 5 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.539 -2.349 18832 1487 1 5 . 1 1 60 60 PHE H H 60 8.724 8.724 8.439 0.285 18832 1488 1 5 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.596 -1.116 18832 1489 1 5 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.618 -0.418 18832 1490 1 5 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.950 -1.760 18832 1491 1 5 . 1 1 62 62 ALA N N 62 124.770 124.770 126.208 -1.438 18832 1492 1 5 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.124 -0.414 18832 1493 1 5 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.674 -0.304 18832 1494 1 5 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.186 -0.536 18832 1495 1 5 . 1 1 62 62 ALA H H 62 7.898 7.898 8.451 -0.553 18832 1496 1 5 . 1 1 63 63 SER N N 63 109.700 109.700 113.637 -3.937 18832 1497 1 5 . 1 1 63 63 SER HA H 63 4.200 4.200 4.175 0.025 18832 1498 1 5 . 1 1 63 63 SER CA C 63 59.400 59.400 60.502 -1.103 18832 1499 1 5 . 1 1 63 63 SER CB C 63 62.380 62.380 62.694 -0.314 18832 1500 1 5 . 1 1 63 63 SER H H 63 8.030 8.030 8.471 -0.441 18832 1501 1 5 . 1 1 64 64 TYR N N 64 120.300 120.300 118.264 2.036 18832 1502 1 5 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.668 -0.418 18832 1503 1 5 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.864 0.856 18832 1504 1 5 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.593 -0.033 18832 1505 1 5 . 1 1 64 64 TYR H H 64 7.128 7.128 7.286 -0.158 18832 1506 1 5 . 1 1 65 65 ILE N N 65 118.000 118.000 118.080 -0.080 18832 1507 1 5 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.471 0.339 18832 1508 1 5 . 1 1 65 65 ILE CA C 65 56.980 56.980 58.843 -1.863 18832 1509 1 5 . 1 1 65 65 ILE CB C 65 39.630 39.630 42.359 -2.729 18832 1510 1 5 . 1 1 65 65 ILE H H 65 7.671 7.671 7.386 0.285 18832 1511 1 5 . 1 1 66 66 HIS N N 66 124.300 124.300 122.186 2.114 18832 1512 1 5 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.852 0.278 18832 1513 1 5 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.722 -1.662 18832 1514 1 5 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.637 -3.127 18832 1515 1 5 . 1 1 66 66 HIS H H 66 9.159 9.159 8.973 0.186 18832 1516 1 5 . 1 1 67 67 LEU N N 67 127.580 127.580 127.327 0.253 18832 1517 1 5 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.635 -0.065 18832 1518 1 5 . 1 1 67 67 LEU CA C 67 55.300 55.300 54.153 1.147 18832 1519 1 5 . 1 1 67 67 LEU CB C 67 42.060 42.060 40.755 1.304 18832 1520 1 5 . 1 1 67 67 LEU H H 67 8.992 8.992 8.453 0.539 18832 1521 1 5 . 1 1 68 68 LYS N N 68 121.900 121.900 124.556 -2.656 18832 1522 1 5 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.639 -0.149 18832 1523 1 5 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.821 0.289 18832 1524 1 5 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.991 0.619 18832 1525 1 5 . 1 1 68 68 LYS H H 68 8.499 8.499 8.228 0.271 18832 1526 1 5 . 1 1 69 69 GLU N N 69 122.190 122.190 119.772 2.418 18832 1527 1 5 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.345 -0.065 18832 1528 1 5 . 1 1 69 69 GLU CA C 69 56.610 56.610 54.778 1.832 18832 1529 1 5 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.786 0.544 18832 1530 1 5 . 1 1 69 69 GLU H H 69 8.569 8.569 8.650 -0.081 18832 1531 1 5 . 1 1 70 70 ALA N N 70 123.370 123.370 121.540 1.830 18832 1532 1 5 . 1 1 70 70 ALA HA H 70 4.200 4.200 3.962 0.237 18832 1533 1 5 . 1 1 70 70 ALA CA C 70 51.810 51.810 53.053 -1.243 18832 1534 1 5 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.131 1.569 18832 1535 1 5 . 1 1 70 70 ALA H H 70 8.181 8.181 8.201 -0.020 18832 1536 1 5 . 1 1 71 71 ILE N N 71 120.080 120.080 119.209 0.871 18832 1537 1 5 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.579 -0.509 18832 1538 1 5 . 1 1 71 71 ILE CA C 71 60.330 60.330 59.926 0.404 18832 1539 1 5 . 1 1 71 71 ILE CB C 71 38.690 38.690 37.763 0.927 18832 1540 1 5 . 1 1 71 71 ILE H H 71 7.776 7.776 8.296 -0.520 18832 1541 1 5 . 1 1 72 72 VAL N N 72 124.540 124.540 122.712 1.828 18832 1542 1 5 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.407 -0.338 18832 1543 1 5 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.384 -0.744 18832 1544 1 5 . 1 1 72 72 VAL CB C 72 32.690 32.690 30.542 2.148 18832 1545 1 5 . 1 1 72 72 VAL H H 72 8.089 8.089 8.694 -0.605 18832 1546 1 5 . 1 1 73 73 GLU N N 73 125.940 125.940 123.154 2.786 18832 1547 1 5 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.629 -0.349 18832 1548 1 5 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.978 0.632 18832 1549 1 5 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.520 0.190 18832 1550 1 5 . 1 1 73 73 GLU H H 73 8.464 8.464 8.411 0.053 18832 1551 1 6 . 1 1 2 2 THR N N 2 116.400 116.400 115.071 1.329 18832 1552 1 6 . 1 1 2 2 THR HA H 2 4.120 4.120 4.578 -0.458 18832 1553 1 6 . 1 1 2 2 THR CA C 2 62.100 62.100 61.575 0.525 18832 1554 1 6 . 1 1 2 2 THR CB C 2 69.440 69.440 69.706 -0.266 18832 1555 1 6 . 1 1 2 2 THR H H 2 8.150 8.150 8.087 0.063 18832 1556 1 6 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.433 -0.123 18832 1557 1 6 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.411 0.339 18832 1558 1 6 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.090 -0.470 18832 1559 1 6 . 1 1 4 4 TRP N N 4 123.300 123.300 120.586 2.714 18832 1560 1 6 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.528 -0.048 18832 1561 1 6 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.782 0.778 18832 1562 1 6 . 1 1 4 4 TRP CB C 4 29.490 29.490 29.585 -0.095 18832 1563 1 6 . 1 1 4 4 TRP H H 4 8.108 8.108 8.413 -0.305 18832 1564 1 6 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.152 0.418 18832 1565 1 6 . 1 1 5 5 VAL CB C 5 30.840 30.840 31.685 -0.845 18832 1566 1 6 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.510 0.300 18832 1567 1 6 . 1 1 6 6 PRO CB C 6 32.210 32.210 29.802 2.408 18832 1568 1 6 . 1 1 7 7 THR HA H 7 4.270 4.270 3.826 0.444 18832 1569 1 6 . 1 1 7 7 THR CA C 7 60.890 60.890 62.929 -2.039 18832 1570 1 6 . 1 1 7 7 THR CB C 7 70.140 70.140 68.668 1.472 18832 1571 1 6 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.402 0.037 18832 1572 1 6 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.160 0.820 18832 1573 1 6 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.838 1.212 18832 1574 1 6 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.397 0.183 18832 1575 1 6 . 1 1 10 10 GLU CA C 10 55.570 55.570 55.339 0.231 18832 1576 1 6 . 1 1 10 10 GLU CB C 10 30.780 30.780 31.031 -0.251 18832 1577 1 6 . 1 1 11 11 GLU N N 11 122.500 122.500 120.229 2.271 18832 1578 1 6 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.367 -0.027 18832 1579 1 6 . 1 1 11 11 GLU CA C 11 57.140 57.140 57.368 -0.228 18832 1580 1 6 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.407 -1.008 18832 1581 1 6 . 1 1 11 11 GLU H H 11 8.271 8.271 8.737 -0.466 18832 1582 1 6 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.390 -0.010 18832 1583 1 6 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.530 -0.740 18832 1584 1 6 . 1 1 12 12 LYS CB C 12 33.600 33.600 34.680 -1.080 18832 1585 1 6 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.767 0.793 18832 1586 1 6 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.395 0.465 18832 1587 1 6 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.835 1.605 18832 1588 1 6 . 1 1 14 14 GLY N N 14 105.320 105.320 106.300 -0.980 18832 1589 1 6 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.592 0.648 18832 1590 1 6 . 1 1 14 14 GLY H H 14 8.401 8.401 8.765 -0.364 18832 1591 1 6 . 1 1 15 15 VAL N N 15 118.900 118.900 118.714 0.186 18832 1592 1 6 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.675 0.666 18832 1593 1 6 . 1 1 15 15 VAL CA C 15 59.210 59.210 59.964 -0.754 18832 1594 1 6 . 1 1 15 15 VAL CB C 15 35.740 35.740 34.970 0.770 18832 1595 1 6 . 1 1 15 15 VAL H H 15 8.851 8.851 8.832 0.019 18832 1596 1 6 . 1 1 16 16 ALA N N 16 129.460 129.460 127.908 1.552 18832 1597 1 6 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.486 -0.486 18832 1598 1 6 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.069 1.931 18832 1599 1 6 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.310 -1.980 18832 1600 1 6 . 1 1 16 16 ALA H H 16 9.113 9.113 8.606 0.507 18832 1601 1 6 . 1 1 17 17 PHE N N 17 124.070 124.070 122.581 1.489 18832 1602 1 6 . 1 1 17 17 PHE HA H 17 4.801 4.801 5.051 -0.250 18832 1603 1 6 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.119 0.111 18832 1604 1 6 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.526 1.474 18832 1605 1 6 . 1 1 17 17 PHE H H 17 8.787 8.787 8.160 0.627 18832 1606 1 6 . 1 1 18 18 TYR N N 18 118.210 118.210 122.418 -4.208 18832 1607 1 6 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.344 0.139 18832 1608 1 6 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.573 -2.273 18832 1609 1 6 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.324 0.486 18832 1610 1 6 . 1 1 18 18 TYR H H 18 7.281 7.281 7.560 -0.279 18832 1611 1 6 . 1 1 19 19 ASN N N 19 116.800 116.800 118.845 -2.045 18832 1612 1 6 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.843 -0.133 18832 1613 1 6 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.587 0.353 18832 1614 1 6 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.072 0.988 18832 1615 1 6 . 1 1 19 19 ASN H H 19 8.134 8.134 8.224 -0.090 18832 1616 1 6 . 1 1 20 20 TYR N N 20 122.190 122.190 122.648 -0.458 18832 1617 1 6 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.647 0.040 18832 1618 1 6 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.156 0.564 18832 1619 1 6 . 1 1 20 20 TYR CB C 20 42.250 42.250 41.226 1.024 18832 1620 1 6 . 1 1 20 20 TYR H H 20 8.993 8.993 8.066 0.927 18832 1621 1 6 . 1 1 21 21 ASP N N 21 128.520 128.520 126.990 1.530 18832 1622 1 6 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.722 0.068 18832 1623 1 6 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.792 0.578 18832 1624 1 6 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.673 -2.543 18832 1625 1 6 . 1 1 21 21 ASP H H 21 7.838 7.838 8.394 -0.556 18832 1626 1 6 . 1 1 22 22 ALA N N 22 125.240 125.240 126.400 -1.160 18832 1627 1 6 . 1 1 22 22 ALA HA H 22 4.051 4.051 3.898 0.153 18832 1628 1 6 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.880 0.060 18832 1629 1 6 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.395 1.055 18832 1630 1 6 . 1 1 22 22 ALA H H 22 8.103 8.103 8.338 -0.235 18832 1631 1 6 . 1 1 23 23 ARG N N 23 122.190 122.190 122.512 -0.322 18832 1632 1 6 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.410 -0.064 18832 1633 1 6 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.532 -1.042 18832 1634 1 6 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.709 -1.009 18832 1635 1 6 . 1 1 23 23 ARG H H 23 8.887 8.887 8.811 0.076 18832 1636 1 6 . 1 1 24 24 GLY N N 24 105.320 105.320 105.605 -0.285 18832 1637 1 6 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.029 -0.529 18832 1638 1 6 . 1 1 24 24 GLY H H 24 7.258 7.258 7.573 -0.315 18832 1639 1 6 . 1 1 25 25 ALA N N 25 122.190 122.190 121.742 0.448 18832 1640 1 6 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.268 -0.102 18832 1641 1 6 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.737 0.703 18832 1642 1 6 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.206 -0.435 18832 1643 1 6 . 1 1 25 25 ALA H H 25 8.627 8.627 8.356 0.271 18832 1644 1 6 . 1 1 26 26 ASP N N 26 114.690 114.690 116.609 -1.919 18832 1645 1 6 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.460 0.240 18832 1646 1 6 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.054 -2.184 18832 1647 1 6 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.118 -0.728 18832 1648 1 6 . 1 1 26 26 ASP H H 26 8.955 8.955 8.575 0.380 18832 1649 1 6 . 1 1 27 27 GLU N N 27 118.910 118.910 116.308 2.602 18832 1650 1 6 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.778 0.424 18832 1651 1 6 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.486 -0.556 18832 1652 1 6 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.707 0.173 18832 1653 1 6 . 1 1 27 27 GLU H H 27 7.537 7.537 7.490 0.047 18832 1654 1 6 . 1 1 28 28 LEU N N 28 121.490 121.490 119.976 1.514 18832 1655 1 6 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.728 0.028 18832 1656 1 6 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.984 -0.864 18832 1657 1 6 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.857 -0.357 18832 1658 1 6 . 1 1 28 28 LEU H H 28 8.890 8.890 8.553 0.337 18832 1659 1 6 . 1 1 29 29 SER N N 29 115.870 115.870 118.420 -2.550 18832 1660 1 6 . 1 1 29 29 SER HA H 29 5.009 5.009 4.309 0.700 18832 1661 1 6 . 1 1 29 29 SER CA C 29 58.470 58.470 58.693 -0.223 18832 1662 1 6 . 1 1 29 29 SER CB C 29 63.690 63.690 63.830 -0.140 18832 1663 1 6 . 1 1 29 29 SER H H 29 7.948 7.948 8.410 -0.462 18832 1664 1 6 . 1 1 30 30 LEU N N 30 121.260 121.260 126.491 -5.231 18832 1665 1 6 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.803 -0.027 18832 1666 1 6 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.256 -1.316 18832 1667 1 6 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.699 0.671 18832 1668 1 6 . 1 1 30 30 LEU H H 30 9.500 9.500 8.358 1.142 18832 1669 1 6 . 1 1 31 31 GLN N N 31 123.130 123.130 119.107 4.023 18832 1670 1 6 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.365 -0.300 18832 1671 1 6 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.531 -0.591 18832 1672 1 6 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.261 -2.071 18832 1673 1 6 . 1 1 31 31 GLN H H 31 9.147 9.147 8.437 0.710 18832 1674 1 6 . 1 1 32 32 ILE N N 32 120.790 120.790 119.948 0.842 18832 1675 1 6 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.108 -1.076 18832 1676 1 6 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.258 0.992 18832 1677 1 6 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.905 0.035 18832 1678 1 6 . 1 1 32 32 ILE H H 32 8.016 8.016 8.333 -0.317 18832 1679 1 6 . 1 1 33 33 GLY N N 33 115.870 115.870 115.258 0.612 18832 1680 1 6 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.864 -0.364 18832 1681 1 6 . 1 1 33 33 GLY H H 33 8.775 8.775 9.072 -0.297 18832 1682 1 6 . 1 1 34 34 ASP N N 34 122.430 122.430 122.126 0.304 18832 1683 1 6 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.985 -0.351 18832 1684 1 6 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.849 2.011 18832 1685 1 6 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.355 -1.045 18832 1686 1 6 . 1 1 34 34 ASP H H 34 8.686 8.686 7.717 0.969 18832 1687 1 6 . 1 1 35 35 THR N N 35 117.980 117.980 117.053 0.927 18832 1688 1 6 . 1 1 35 35 THR HA H 35 5.154 5.154 4.927 0.227 18832 1689 1 6 . 1 1 35 35 THR CA C 35 61.450 61.450 61.807 -0.357 18832 1690 1 6 . 1 1 35 35 THR CB C 35 69.090 69.090 70.471 -1.381 18832 1691 1 6 . 1 1 35 35 THR H H 35 8.392 8.392 8.443 -0.051 18832 1692 1 6 . 1 1 36 36 VAL N N 36 118.200 118.200 119.492 -1.292 18832 1693 1 6 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.545 0.607 18832 1694 1 6 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.617 -1.708 18832 1695 1 6 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.473 -0.283 18832 1696 1 6 . 1 1 36 36 VAL H H 36 9.016 9.016 8.831 0.185 18832 1697 1 6 . 1 1 37 37 HIS N N 37 122.190 122.190 125.953 -3.763 18832 1698 1 6 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.935 -0.124 18832 1699 1 6 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.716 -1.156 18832 1700 1 6 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.272 0.988 18832 1701 1 6 . 1 1 37 37 HIS H H 37 8.491 8.491 8.232 0.259 18832 1702 1 6 . 1 1 38 38 ILE N N 38 126.650 126.650 128.042 -1.392 18832 1703 1 6 . 1 1 38 38 ILE HA H 38 3.750 3.750 3.900 -0.150 18832 1704 1 6 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.268 -0.628 18832 1705 1 6 . 1 1 38 38 ILE CB C 38 38.880 38.880 36.976 1.904 18832 1706 1 6 . 1 1 38 38 ILE H H 38 8.638 8.638 8.529 0.109 18832 1707 1 6 . 1 1 39 39 LEU N N 39 126.180 126.180 129.068 -2.888 18832 1708 1 6 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.532 -0.152 18832 1709 1 6 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.696 -0.206 18832 1710 1 6 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.840 -0.090 18832 1711 1 6 . 1 1 39 39 LEU H H 39 9.163 9.163 8.498 0.665 18832 1712 1 6 . 1 1 40 40 GLU N N 40 115.160 115.160 114.167 0.993 18832 1713 1 6 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.544 0.476 18832 1714 1 6 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.422 -0.332 18832 1715 1 6 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.657 2.073 18832 1716 1 6 . 1 1 40 40 GLU H H 40 7.852 7.852 8.104 -0.252 18832 1717 1 6 . 1 1 41 41 THR HA H 41 4.270 4.270 4.500 -0.230 18832 1718 1 6 . 1 1 41 41 THR CA C 41 61.250 61.250 59.296 1.954 18832 1719 1 6 . 1 1 41 41 THR CB C 41 71.410 71.410 70.487 0.923 18832 1720 1 6 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.255 0.295 18832 1721 1 6 . 1 1 43 43 GLU N N 43 124.100 124.100 120.659 3.441 18832 1722 1 6 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.141 -0.401 18832 1723 1 6 . 1 1 43 43 GLU H H 43 8.590 8.590 7.928 0.662 18832 1724 1 6 . 1 1 44 44 GLY N N 44 110.789 110.789 110.197 0.592 18832 1725 1 6 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.409 0.031 18832 1726 1 6 . 1 1 44 44 GLY H H 44 8.432 8.432 8.157 0.275 18832 1727 1 6 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.445 0.245 18832 1728 1 6 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.116 1.434 18832 1729 1 6 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.638 0.962 18832 1730 1 6 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.750 -0.690 18832 1731 1 6 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.212 1.438 18832 1732 1 6 . 1 1 47 47 ARG N N 47 118.100 118.100 122.303 -4.203 18832 1733 1 6 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.010 0.084 18832 1734 1 6 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.554 -0.494 18832 1735 1 6 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.453 -0.203 18832 1736 1 6 . 1 1 47 47 ARG H H 47 8.492 8.492 8.849 -0.357 18832 1737 1 6 . 1 1 48 48 GLY N N 48 114.000 114.000 113.106 0.894 18832 1738 1 6 . 1 1 48 48 GLY CA C 48 46.560 46.560 44.927 1.633 18832 1739 1 6 . 1 1 48 48 GLY H H 48 9.183 9.183 8.680 0.503 18832 1740 1 6 . 1 1 49 49 TYR N N 49 116.100 116.100 115.454 0.646 18832 1741 1 6 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.228 0.145 18832 1742 1 6 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.583 -0.472 18832 1743 1 6 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.089 0.661 18832 1744 1 6 . 1 1 49 49 TYR H H 49 8.194 8.194 8.062 0.132 18832 1745 1 6 . 1 1 50 50 THR N N 50 112.350 112.350 117.355 -5.005 18832 1746 1 6 . 1 1 50 50 THR HA H 50 5.105 5.105 4.457 0.648 18832 1747 1 6 . 1 1 50 50 THR CA C 50 59.770 59.770 62.079 -2.309 18832 1748 1 6 . 1 1 50 50 THR CB C 50 69.460 69.460 69.620 -0.160 18832 1749 1 6 . 1 1 50 50 THR H H 50 9.441 9.441 8.725 0.716 18832 1750 1 6 . 1 1 51 51 LEU N N 51 121.260 121.260 121.785 -0.525 18832 1751 1 6 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.080 0.156 18832 1752 1 6 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.328 -0.538 18832 1753 1 6 . 1 1 51 51 LEU CB C 51 40.000 40.000 40.980 -0.980 18832 1754 1 6 . 1 1 51 51 LEU H H 51 8.310 8.310 8.635 -0.325 18832 1755 1 6 . 1 1 52 52 ARG N N 52 116.570 116.570 118.197 -1.627 18832 1756 1 6 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.222 0.028 18832 1757 1 6 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.219 -0.869 18832 1758 1 6 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.681 -0.171 18832 1759 1 6 . 1 1 52 52 ARG H H 52 8.047 8.047 8.186 -0.139 18832 1760 1 6 . 1 1 53 53 LYS N N 53 122.660 122.660 118.495 4.165 18832 1761 1 6 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.490 0.126 18832 1762 1 6 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.389 -0.769 18832 1763 1 6 . 1 1 53 53 LYS CB C 53 32.860 32.860 30.716 2.144 18832 1764 1 6 . 1 1 53 53 LYS H H 53 7.649 7.649 8.122 -0.473 18832 1765 1 6 . 1 1 54 54 LYS N N 54 125.010 125.010 119.713 5.297 18832 1766 1 6 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.171 -0.081 18832 1767 1 6 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.050 0.420 18832 1768 1 6 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.657 -0.527 18832 1769 1 6 . 1 1 54 54 LYS H H 54 8.496 8.496 7.995 0.501 18832 1770 1 6 . 1 1 55 55 SER N N 55 110.240 110.240 112.225 -1.985 18832 1771 1 6 . 1 1 55 55 SER HA H 55 4.122 4.122 4.373 -0.251 18832 1772 1 6 . 1 1 55 55 SER CA C 55 58.960 58.960 58.879 0.081 18832 1773 1 6 . 1 1 55 55 SER CB C 55 63.310 63.310 63.774 -0.464 18832 1774 1 6 . 1 1 55 55 SER H H 55 7.857 7.857 8.087 -0.230 18832 1775 1 6 . 1 1 56 56 LYS N N 56 124.070 124.070 122.004 2.066 18832 1776 1 6 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.470 0.198 18832 1777 1 6 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.882 -1.072 18832 1778 1 6 . 1 1 56 56 LYS CB C 56 33.250 33.250 34.046 -0.796 18832 1779 1 6 . 1 1 56 56 LYS H H 56 7.473 7.473 7.951 -0.478 18832 1780 1 6 . 1 1 57 57 LYS N N 57 125.940 125.940 119.891 6.049 18832 1781 1 6 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.918 0.423 18832 1782 1 6 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.000 -0.380 18832 1783 1 6 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.033 -1.793 18832 1784 1 6 . 1 1 57 57 LYS H H 57 8.474 8.474 8.253 0.221 18832 1785 1 6 . 1 1 58 58 GLY N N 58 109.540 109.540 108.531 1.009 18832 1786 1 6 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.968 0.652 18832 1787 1 6 . 1 1 58 58 GLY H H 58 9.075 9.075 8.670 0.405 18832 1788 1 6 . 1 1 59 59 ILE N N 59 113.900 113.900 115.367 -1.467 18832 1789 1 6 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.106 0.894 18832 1790 1 6 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.475 1.115 18832 1791 1 6 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.364 -0.224 18832 1792 1 6 . 1 1 59 59 ILE H H 59 8.628 8.628 8.192 0.436 18832 1793 1 6 . 1 1 60 60 PHE N N 60 117.040 117.040 117.105 -0.065 18832 1794 1 6 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.529 -0.409 18832 1795 1 6 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.101 -1.041 18832 1796 1 6 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.410 -3.220 18832 1797 1 6 . 1 1 60 60 PHE H H 60 8.724 8.724 8.779 -0.055 18832 1798 1 6 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.411 -0.931 18832 1799 1 6 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.284 -0.084 18832 1800 1 6 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.401 -1.211 18832 1801 1 6 . 1 1 62 62 ALA N N 62 124.770 124.770 126.108 -1.338 18832 1802 1 6 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.990 -0.280 18832 1803 1 6 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.381 -0.011 18832 1804 1 6 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.010 -0.360 18832 1805 1 6 . 1 1 62 62 ALA H H 62 7.898 7.898 8.317 -0.419 18832 1806 1 6 . 1 1 63 63 SER N N 63 109.700 109.700 115.000 -5.300 18832 1807 1 6 . 1 1 63 63 SER HA H 63 4.200 4.200 4.160 0.040 18832 1808 1 6 . 1 1 63 63 SER CA C 63 59.400 59.400 60.324 -0.924 18832 1809 1 6 . 1 1 63 63 SER CB C 63 62.380 62.380 62.976 -0.596 18832 1810 1 6 . 1 1 63 63 SER H H 63 8.030 8.030 8.492 -0.462 18832 1811 1 6 . 1 1 64 64 TYR N N 64 120.300 120.300 111.902 8.398 18832 1812 1 6 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.415 -0.165 18832 1813 1 6 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.664 3.056 18832 1814 1 6 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.126 0.434 18832 1815 1 6 . 1 1 64 64 TYR H H 64 7.128 7.128 6.918 0.210 18832 1816 1 6 . 1 1 65 65 ILE N N 65 118.000 118.000 121.710 -3.710 18832 1817 1 6 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.931 -0.121 18832 1818 1 6 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.406 -2.426 18832 1819 1 6 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.948 0.682 18832 1820 1 6 . 1 1 65 65 ILE H H 65 7.671 7.671 7.492 0.179 18832 1821 1 6 . 1 1 66 66 HIS N N 66 124.300 124.300 127.163 -2.863 18832 1822 1 6 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.906 0.224 18832 1823 1 6 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.877 -1.817 18832 1824 1 6 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.146 -2.636 18832 1825 1 6 . 1 1 66 66 HIS H H 66 9.159 9.159 8.867 0.292 18832 1826 1 6 . 1 1 67 67 LEU N N 67 127.580 127.580 127.773 -0.193 18832 1827 1 6 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.250 0.320 18832 1828 1 6 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.010 0.290 18832 1829 1 6 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.177 0.883 18832 1830 1 6 . 1 1 67 67 LEU H H 67 8.992 8.992 8.499 0.493 18832 1831 1 6 . 1 1 68 68 LYS N N 68 121.900 121.900 124.592 -2.692 18832 1832 1 6 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.495 -0.005 18832 1833 1 6 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.243 -0.133 18832 1834 1 6 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.743 0.867 18832 1835 1 6 . 1 1 68 68 LYS H H 68 8.499 8.499 7.882 0.617 18832 1836 1 6 . 1 1 69 69 GLU N N 69 122.190 122.190 119.761 2.429 18832 1837 1 6 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.369 -0.089 18832 1838 1 6 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.388 1.222 18832 1839 1 6 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.598 0.732 18832 1840 1 6 . 1 1 69 69 GLU H H 69 8.569 8.569 8.588 -0.019 18832 1841 1 6 . 1 1 70 70 ALA N N 70 123.370 123.370 120.905 2.465 18832 1842 1 6 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.032 0.168 18832 1843 1 6 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.928 -1.117 18832 1844 1 6 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.805 0.895 18832 1845 1 6 . 1 1 70 70 ALA H H 70 8.181 8.181 8.152 0.029 18832 1846 1 6 . 1 1 71 71 ILE N N 71 120.080 120.080 119.614 0.466 18832 1847 1 6 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.741 -0.671 18832 1848 1 6 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.190 -0.860 18832 1849 1 6 . 1 1 71 71 ILE CB C 71 38.690 38.690 37.787 0.903 18832 1850 1 6 . 1 1 71 71 ILE H H 71 7.776 7.776 9.015 -1.239 18832 1851 1 6 . 1 1 72 72 VAL N N 72 124.540 124.540 122.924 1.616 18832 1852 1 6 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.635 -0.565 18832 1853 1 6 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.058 0.582 18832 1854 1 6 . 1 1 72 72 VAL CB C 72 32.690 32.690 33.434 -0.744 18832 1855 1 6 . 1 1 72 72 VAL H H 72 8.089 8.089 8.153 -0.064 18832 1856 1 6 . 1 1 73 73 GLU N N 73 125.940 125.940 120.057 5.883 18832 1857 1 6 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.235 0.045 18832 1858 1 6 . 1 1 73 73 GLU CA C 73 56.610 56.610 57.322 -0.712 18832 1859 1 6 . 1 1 73 73 GLU CB C 73 30.710 30.710 28.150 2.560 18832 1860 1 6 . 1 1 73 73 GLU H H 73 8.464 8.464 9.496 -1.032 18832 1861 1 7 . 1 1 2 2 THR N N 2 116.400 116.400 116.510 -0.110 18832 1862 1 7 . 1 1 2 2 THR HA H 2 4.120 4.120 4.452 -0.332 18832 1863 1 7 . 1 1 2 2 THR CA C 2 62.100 62.100 62.440 -0.340 18832 1864 1 7 . 1 1 2 2 THR CB C 2 69.440 69.440 70.639 -1.199 18832 1865 1 7 . 1 1 2 2 THR H H 2 8.150 8.150 7.617 0.533 18832 1866 1 7 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.497 -0.187 18832 1867 1 7 . 1 1 3 3 ARG CA C 3 55.750 55.750 57.041 -1.292 18832 1868 1 7 . 1 1 3 3 ARG CB C 3 30.620 30.620 30.806 -0.186 18832 1869 1 7 . 1 1 4 4 TRP N N 4 123.300 123.300 124.833 -1.533 18832 1870 1 7 . 1 1 4 4 TRP HA H 4 4.480 4.480 5.099 -0.619 18832 1871 1 7 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.059 1.501 18832 1872 1 7 . 1 1 4 4 TRP CB C 4 29.490 29.490 31.725 -2.235 18832 1873 1 7 . 1 1 4 4 TRP H H 4 8.108 8.108 8.594 -0.486 18832 1874 1 7 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.529 0.041 18832 1875 1 7 . 1 1 5 5 VAL CB C 5 30.840 30.840 33.315 -2.474 18832 1876 1 7 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.636 0.174 18832 1877 1 7 . 1 1 6 6 PRO CB C 6 32.210 32.210 30.964 1.246 18832 1878 1 7 . 1 1 7 7 THR HA H 7 4.270 4.270 3.813 0.457 18832 1879 1 7 . 1 1 7 7 THR CA C 7 60.890 60.890 62.726 -1.836 18832 1880 1 7 . 1 1 7 7 THR CB C 7 70.140 70.140 69.133 1.006 18832 1881 1 7 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.322 0.118 18832 1882 1 7 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.558 0.422 18832 1883 1 7 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.456 1.594 18832 1884 1 7 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.490 0.090 18832 1885 1 7 . 1 1 10 10 GLU CA C 10 55.570 55.570 55.884 -0.314 18832 1886 1 7 . 1 1 10 10 GLU CB C 10 30.780 30.780 31.723 -0.943 18832 1887 1 7 . 1 1 11 11 GLU N N 11 122.500 122.500 120.646 1.854 18832 1888 1 7 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.298 0.042 18832 1889 1 7 . 1 1 11 11 GLU CA C 11 57.140 57.140 57.628 -0.488 18832 1890 1 7 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.361 -0.961 18832 1891 1 7 . 1 1 11 11 GLU H H 11 8.271 8.271 8.593 -0.322 18832 1892 1 7 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.331 0.049 18832 1893 1 7 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.618 -0.828 18832 1894 1 7 . 1 1 12 12 LYS CB C 12 33.600 33.600 34.296 -0.696 18832 1895 1 7 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.641 0.919 18832 1896 1 7 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.946 -0.086 18832 1897 1 7 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.366 2.074 18832 1898 1 7 . 1 1 14 14 GLY N N 14 105.320 105.320 106.420 -1.100 18832 1899 1 7 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.771 0.469 18832 1900 1 7 . 1 1 14 14 GLY H H 14 8.401 8.401 8.947 -0.546 18832 1901 1 7 . 1 1 15 15 VAL N N 15 118.900 118.900 118.874 0.026 18832 1902 1 7 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.701 0.640 18832 1903 1 7 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.365 -1.155 18832 1904 1 7 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.523 -0.783 18832 1905 1 7 . 1 1 15 15 VAL H H 15 8.851 8.851 8.858 -0.007 18832 1906 1 7 . 1 1 16 16 ALA N N 16 129.460 129.460 125.279 4.181 18832 1907 1 7 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.840 0.160 18832 1908 1 7 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.211 1.789 18832 1909 1 7 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.601 -1.271 18832 1910 1 7 . 1 1 16 16 ALA H H 16 9.113 9.113 8.432 0.681 18832 1911 1 7 . 1 1 17 17 PHE N N 17 124.070 124.070 122.476 1.594 18832 1912 1 7 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.796 0.005 18832 1913 1 7 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.699 -0.469 18832 1914 1 7 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.380 1.620 18832 1915 1 7 . 1 1 17 17 PHE H H 17 8.787 8.787 7.336 1.451 18832 1916 1 7 . 1 1 18 18 TYR N N 18 118.210 118.210 123.585 -5.375 18832 1917 1 7 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.449 0.034 18832 1918 1 7 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.719 -2.419 18832 1919 1 7 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.739 0.071 18832 1920 1 7 . 1 1 18 18 TYR H H 18 7.281 7.281 7.624 -0.343 18832 1921 1 7 . 1 1 19 19 ASN N N 19 116.800 116.800 120.355 -3.555 18832 1922 1 7 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.783 -0.073 18832 1923 1 7 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.562 0.378 18832 1924 1 7 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.389 0.671 18832 1925 1 7 . 1 1 19 19 ASN H H 19 8.134 8.134 7.604 0.530 18832 1926 1 7 . 1 1 20 20 TYR N N 20 122.190 122.190 121.374 0.816 18832 1927 1 7 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.612 0.075 18832 1928 1 7 . 1 1 20 20 TYR CA C 20 57.720 57.720 59.196 -1.476 18832 1929 1 7 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.395 1.855 18832 1930 1 7 . 1 1 20 20 TYR H H 20 8.993 8.993 8.055 0.938 18832 1931 1 7 . 1 1 21 21 ASP N N 21 128.520 128.520 126.422 2.098 18832 1932 1 7 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.848 -0.058 18832 1933 1 7 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.732 -0.362 18832 1934 1 7 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.542 -1.412 18832 1935 1 7 . 1 1 21 21 ASP H H 21 7.838 7.838 8.325 -0.487 18832 1936 1 7 . 1 1 22 22 ALA N N 22 125.240 125.240 126.006 -0.766 18832 1937 1 7 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.418 -0.367 18832 1938 1 7 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.139 -0.199 18832 1939 1 7 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.474 0.976 18832 1940 1 7 . 1 1 22 22 ALA H H 22 8.103 8.103 8.562 -0.459 18832 1941 1 7 . 1 1 23 23 ARG N N 23 122.190 122.190 121.604 0.586 18832 1942 1 7 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.459 -0.113 18832 1943 1 7 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.720 -0.230 18832 1944 1 7 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.122 0.578 18832 1945 1 7 . 1 1 23 23 ARG H H 23 8.887 8.887 8.613 0.274 18832 1946 1 7 . 1 1 24 24 GLY N N 24 105.320 105.320 106.153 -0.833 18832 1947 1 7 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.082 -0.582 18832 1948 1 7 . 1 1 24 24 GLY H H 24 7.258 7.258 7.378 -0.120 18832 1949 1 7 . 1 1 25 25 ALA N N 25 122.190 122.190 121.900 0.290 18832 1950 1 7 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.245 -0.079 18832 1951 1 7 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.974 0.466 18832 1952 1 7 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.113 -0.343 18832 1953 1 7 . 1 1 25 25 ALA H H 25 8.627 8.627 8.519 0.108 18832 1954 1 7 . 1 1 26 26 ASP N N 26 114.690 114.690 115.737 -1.047 18832 1955 1 7 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.400 0.300 18832 1956 1 7 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.217 -2.347 18832 1957 1 7 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.144 -0.754 18832 1958 1 7 . 1 1 26 26 ASP H H 26 8.955 8.955 8.602 0.353 18832 1959 1 7 . 1 1 27 27 GLU N N 27 118.910 118.910 115.632 3.278 18832 1960 1 7 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.721 0.481 18832 1961 1 7 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.794 0.136 18832 1962 1 7 . 1 1 27 27 GLU CB C 27 32.880 32.880 33.117 -0.237 18832 1963 1 7 . 1 1 27 27 GLU H H 27 7.537 7.537 7.634 -0.097 18832 1964 1 7 . 1 1 28 28 LEU N N 28 121.490 121.490 121.039 0.451 18832 1965 1 7 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.754 0.002 18832 1966 1 7 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.805 -0.685 18832 1967 1 7 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.873 -0.373 18832 1968 1 7 . 1 1 28 28 LEU H H 28 8.890 8.890 8.349 0.541 18832 1969 1 7 . 1 1 29 29 SER N N 29 115.870 115.870 118.598 -2.728 18832 1970 1 7 . 1 1 29 29 SER HA H 29 5.009 5.009 4.723 0.286 18832 1971 1 7 . 1 1 29 29 SER CA C 29 58.470 58.470 58.938 -0.468 18832 1972 1 7 . 1 1 29 29 SER CB C 29 63.690 63.690 63.855 -0.165 18832 1973 1 7 . 1 1 29 29 SER H H 29 7.948 7.948 8.438 -0.490 18832 1974 1 7 . 1 1 30 30 LEU N N 30 121.260 121.260 125.288 -4.028 18832 1975 1 7 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.710 0.066 18832 1976 1 7 . 1 1 30 30 LEU CA C 30 52.940 52.940 53.976 -1.036 18832 1977 1 7 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.483 0.887 18832 1978 1 7 . 1 1 30 30 LEU H H 30 9.500 9.500 8.345 1.155 18832 1979 1 7 . 1 1 31 31 GLN N N 31 123.130 123.130 119.303 3.827 18832 1980 1 7 . 1 1 31 31 GLN HA H 31 5.065 5.065 4.843 0.222 18832 1981 1 7 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.687 -0.747 18832 1982 1 7 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.544 -1.354 18832 1983 1 7 . 1 1 31 31 GLN H H 31 9.147 9.147 8.440 0.707 18832 1984 1 7 . 1 1 32 32 ILE N N 32 120.790 120.790 120.755 0.035 18832 1985 1 7 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.123 -1.091 18832 1986 1 7 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.253 0.997 18832 1987 1 7 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.672 0.268 18832 1988 1 7 . 1 1 32 32 ILE H H 32 8.016 8.016 8.640 -0.624 18832 1989 1 7 . 1 1 33 33 GLY N N 33 115.870 115.870 115.503 0.367 18832 1990 1 7 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.688 -0.188 18832 1991 1 7 . 1 1 33 33 GLY H H 33 8.775 8.775 8.959 -0.184 18832 1992 1 7 . 1 1 34 34 ASP N N 34 122.430 122.430 122.618 -0.188 18832 1993 1 7 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.896 -0.262 18832 1994 1 7 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.423 1.437 18832 1995 1 7 . 1 1 34 34 ASP CB C 34 41.310 41.310 41.894 -0.584 18832 1996 1 7 . 1 1 34 34 ASP H H 34 8.686 8.686 7.834 0.852 18832 1997 1 7 . 1 1 35 35 THR N N 35 117.980 117.980 117.350 0.630 18832 1998 1 7 . 1 1 35 35 THR HA H 35 5.154 5.154 4.898 0.256 18832 1999 1 7 . 1 1 35 35 THR CA C 35 61.450 61.450 61.946 -0.496 18832 2000 1 7 . 1 1 35 35 THR CB C 35 69.090 69.090 70.025 -0.935 18832 2001 1 7 . 1 1 35 35 THR H H 35 8.392 8.392 8.415 -0.023 18832 2002 1 7 . 1 1 36 36 VAL N N 36 118.200 118.200 117.699 0.501 18832 2003 1 7 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.562 0.590 18832 2004 1 7 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.140 -2.230 18832 2005 1 7 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.669 -0.479 18832 2006 1 7 . 1 1 36 36 VAL H H 36 9.016 9.016 9.055 -0.039 18832 2007 1 7 . 1 1 37 37 HIS N N 37 122.190 122.190 126.681 -4.491 18832 2008 1 7 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.881 -0.070 18832 2009 1 7 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.945 -1.385 18832 2010 1 7 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.730 0.530 18832 2011 1 7 . 1 1 37 37 HIS H H 37 8.491 8.491 8.282 0.209 18832 2012 1 7 . 1 1 38 38 ILE N N 38 126.650 126.650 127.048 -0.398 18832 2013 1 7 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.165 -0.415 18832 2014 1 7 . 1 1 38 38 ILE CA C 38 61.640 61.640 59.786 1.854 18832 2015 1 7 . 1 1 38 38 ILE CB C 38 38.880 38.880 36.107 2.773 18832 2016 1 7 . 1 1 38 38 ILE H H 38 8.638 8.638 8.417 0.221 18832 2017 1 7 . 1 1 39 39 LEU N N 39 126.180 126.180 123.021 3.159 18832 2018 1 7 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.852 -0.472 18832 2019 1 7 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.962 0.528 18832 2020 1 7 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.884 -0.134 18832 2021 1 7 . 1 1 39 39 LEU H H 39 9.163 9.163 8.892 0.271 18832 2022 1 7 . 1 1 40 40 GLU N N 40 115.160 115.160 116.878 -1.718 18832 2023 1 7 . 1 1 40 40 GLU HA H 40 5.020 5.020 5.029 -0.009 18832 2024 1 7 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.728 -0.638 18832 2025 1 7 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.292 1.438 18832 2026 1 7 . 1 1 40 40 GLU H H 40 7.852 7.852 7.769 0.083 18832 2027 1 7 . 1 1 41 41 THR HA H 41 4.270 4.270 4.373 -0.103 18832 2028 1 7 . 1 1 41 41 THR CA C 41 61.250 61.250 60.168 1.082 18832 2029 1 7 . 1 1 41 41 THR CB C 41 71.410 71.410 70.019 1.391 18832 2030 1 7 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.344 0.206 18832 2031 1 7 . 1 1 43 43 GLU N N 43 124.100 124.100 119.843 4.257 18832 2032 1 7 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.665 -0.925 18832 2033 1 7 . 1 1 43 43 GLU H H 43 8.590 8.590 8.368 0.222 18832 2034 1 7 . 1 1 44 44 GLY N N 44 110.789 110.789 110.228 0.561 18832 2035 1 7 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.483 -0.043 18832 2036 1 7 . 1 1 44 44 GLY H H 44 8.432 8.432 8.579 -0.147 18832 2037 1 7 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.875 -0.185 18832 2038 1 7 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.953 1.597 18832 2039 1 7 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.577 1.023 18832 2040 1 7 . 1 1 46 46 TYR CA C 46 54.060 54.060 55.077 -1.017 18832 2041 1 7 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.196 1.454 18832 2042 1 7 . 1 1 47 47 ARG N N 47 118.100 118.100 119.411 -1.311 18832 2043 1 7 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.035 0.059 18832 2044 1 7 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.237 -0.177 18832 2045 1 7 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.568 -1.318 18832 2046 1 7 . 1 1 47 47 ARG H H 47 8.492 8.492 8.213 0.279 18832 2047 1 7 . 1 1 48 48 GLY N N 48 114.000 114.000 111.219 2.781 18832 2048 1 7 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.991 0.569 18832 2049 1 7 . 1 1 48 48 GLY H H 48 9.183 9.183 8.729 0.454 18832 2050 1 7 . 1 1 49 49 TYR N N 49 116.100 116.100 115.301 0.799 18832 2051 1 7 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.443 -0.070 18832 2052 1 7 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.286 -0.176 18832 2053 1 7 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.711 0.039 18832 2054 1 7 . 1 1 49 49 TYR H H 49 8.194 8.194 8.224 -0.030 18832 2055 1 7 . 1 1 50 50 THR N N 50 112.350 112.350 116.466 -4.116 18832 2056 1 7 . 1 1 50 50 THR HA H 50 5.105 5.105 4.483 0.622 18832 2057 1 7 . 1 1 50 50 THR CA C 50 59.770 59.770 61.621 -1.851 18832 2058 1 7 . 1 1 50 50 THR CB C 50 69.460 69.460 69.567 -0.107 18832 2059 1 7 . 1 1 50 50 THR H H 50 9.441 9.441 8.853 0.588 18832 2060 1 7 . 1 1 51 51 LEU N N 51 121.260 121.260 122.172 -0.912 18832 2061 1 7 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.004 0.232 18832 2062 1 7 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.239 -0.449 18832 2063 1 7 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.017 -1.017 18832 2064 1 7 . 1 1 51 51 LEU H H 51 8.310 8.310 8.081 0.229 18832 2065 1 7 . 1 1 52 52 ARG N N 52 116.570 116.570 117.581 -1.011 18832 2066 1 7 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.140 0.110 18832 2067 1 7 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.239 -0.889 18832 2068 1 7 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.622 -0.112 18832 2069 1 7 . 1 1 52 52 ARG H H 52 8.047 8.047 8.335 -0.288 18832 2070 1 7 . 1 1 53 53 LYS N N 53 122.660 122.660 117.863 4.797 18832 2071 1 7 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.598 0.018 18832 2072 1 7 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.308 -0.688 18832 2073 1 7 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.928 0.932 18832 2074 1 7 . 1 1 53 53 LYS H H 53 7.649 7.649 7.500 0.149 18832 2075 1 7 . 1 1 54 54 LYS N N 54 125.010 125.010 122.126 2.884 18832 2076 1 7 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.319 -0.229 18832 2077 1 7 . 1 1 54 54 LYS CA C 54 58.470 58.470 59.083 -0.613 18832 2078 1 7 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.094 0.036 18832 2079 1 7 . 1 1 54 54 LYS H H 54 8.496 8.496 8.584 -0.088 18832 2080 1 7 . 1 1 55 55 SER N N 55 110.240 110.240 113.748 -3.508 18832 2081 1 7 . 1 1 55 55 SER HA H 55 4.122 4.122 4.284 -0.162 18832 2082 1 7 . 1 1 55 55 SER CA C 55 58.960 58.960 60.114 -1.154 18832 2083 1 7 . 1 1 55 55 SER CB C 55 63.310 63.310 63.392 -0.082 18832 2084 1 7 . 1 1 55 55 SER H H 55 7.857 7.857 8.255 -0.398 18832 2085 1 7 . 1 1 56 56 LYS N N 56 124.070 124.070 121.673 2.397 18832 2086 1 7 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.269 0.399 18832 2087 1 7 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.422 -1.613 18832 2088 1 7 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.390 -0.140 18832 2089 1 7 . 1 1 56 56 LYS H H 56 7.473 7.473 7.442 0.031 18832 2090 1 7 . 1 1 57 57 LYS N N 57 125.940 125.940 122.812 3.128 18832 2091 1 7 . 1 1 57 57 LYS HA H 57 5.341 5.341 5.047 0.294 18832 2092 1 7 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.883 -0.263 18832 2093 1 7 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.350 -2.111 18832 2094 1 7 . 1 1 57 57 LYS H H 57 8.474 8.474 8.267 0.207 18832 2095 1 7 . 1 1 58 58 GLY N N 58 109.540 109.540 110.767 -1.227 18832 2096 1 7 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.514 1.106 18832 2097 1 7 . 1 1 58 58 GLY H H 58 9.075 9.075 8.694 0.381 18832 2098 1 7 . 1 1 59 59 ILE N N 59 113.900 113.900 115.001 -1.101 18832 2099 1 7 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.949 1.051 18832 2100 1 7 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.255 1.335 18832 2101 1 7 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.665 -0.525 18832 2102 1 7 . 1 1 59 59 ILE H H 59 8.628 8.628 8.004 0.624 18832 2103 1 7 . 1 1 60 60 PHE N N 60 117.040 117.040 114.626 2.414 18832 2104 1 7 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.254 -0.134 18832 2105 1 7 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.097 -1.037 18832 2106 1 7 . 1 1 60 60 PHE CB C 60 37.190 37.190 38.828 -1.638 18832 2107 1 7 . 1 1 60 60 PHE H H 60 8.724 8.724 8.044 0.680 18832 2108 1 7 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.645 -1.165 18832 2109 1 7 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.541 -0.341 18832 2110 1 7 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.518 -1.328 18832 2111 1 7 . 1 1 62 62 ALA N N 62 124.770 124.770 127.083 -2.313 18832 2112 1 7 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.071 -0.361 18832 2113 1 7 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.263 0.107 18832 2114 1 7 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.087 -0.437 18832 2115 1 7 . 1 1 62 62 ALA H H 62 7.898 7.898 8.249 -0.351 18832 2116 1 7 . 1 1 63 63 SER N N 63 109.700 109.700 112.841 -3.141 18832 2117 1 7 . 1 1 63 63 SER HA H 63 4.200 4.200 4.274 -0.074 18832 2118 1 7 . 1 1 63 63 SER CA C 63 59.400 59.400 59.320 0.080 18832 2119 1 7 . 1 1 63 63 SER CB C 63 62.380 62.380 62.560 -0.180 18832 2120 1 7 . 1 1 63 63 SER H H 63 8.030 8.030 8.273 -0.243 18832 2121 1 7 . 1 1 64 64 TYR N N 64 120.300 120.300 118.234 2.066 18832 2122 1 7 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.425 -0.175 18832 2123 1 7 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.342 1.378 18832 2124 1 7 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.736 -1.176 18832 2125 1 7 . 1 1 64 64 TYR H H 64 7.128 7.128 7.416 -0.288 18832 2126 1 7 . 1 1 65 65 ILE N N 65 118.000 118.000 118.386 -0.386 18832 2127 1 7 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.601 0.209 18832 2128 1 7 . 1 1 65 65 ILE CA C 65 56.980 56.980 58.983 -2.003 18832 2129 1 7 . 1 1 65 65 ILE CB C 65 39.630 39.630 41.424 -1.794 18832 2130 1 7 . 1 1 65 65 ILE H H 65 7.671 7.671 7.301 0.370 18832 2131 1 7 . 1 1 66 66 HIS N N 66 124.300 124.300 124.208 0.092 18832 2132 1 7 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.928 0.202 18832 2133 1 7 . 1 1 66 66 HIS CA C 66 53.060 53.060 55.244 -2.184 18832 2134 1 7 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.080 -2.570 18832 2135 1 7 . 1 1 66 66 HIS H H 66 9.159 9.159 9.038 0.121 18832 2136 1 7 . 1 1 67 67 LEU N N 67 127.580 127.580 127.515 0.065 18832 2137 1 7 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.207 0.363 18832 2138 1 7 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.330 -1.030 18832 2139 1 7 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.275 -0.215 18832 2140 1 7 . 1 1 67 67 LEU H H 67 8.992 8.992 8.509 0.483 18832 2141 1 7 . 1 1 68 68 LYS N N 68 121.900 121.900 122.461 -0.561 18832 2142 1 7 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.702 -0.212 18832 2143 1 7 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.245 0.865 18832 2144 1 7 . 1 1 68 68 LYS CB C 68 34.610 34.610 35.052 -0.442 18832 2145 1 7 . 1 1 68 68 LYS H H 68 8.499 8.499 8.170 0.329 18832 2146 1 7 . 1 1 69 69 GLU N N 69 122.190 122.190 121.707 0.483 18832 2147 1 7 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.358 -0.078 18832 2148 1 7 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.073 0.537 18832 2149 1 7 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.756 1.574 18832 2150 1 7 . 1 1 69 69 GLU H H 69 8.569 8.569 8.693 -0.124 18832 2151 1 7 . 1 1 70 70 ALA N N 70 123.370 123.370 127.710 -4.340 18832 2152 1 7 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.109 0.091 18832 2153 1 7 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.080 -0.270 18832 2154 1 7 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.366 0.334 18832 2155 1 7 . 1 1 70 70 ALA H H 70 8.181 8.181 7.686 0.495 18832 2156 1 7 . 1 1 71 71 ILE N N 71 120.080 120.080 114.320 5.760 18832 2157 1 7 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.417 -0.347 18832 2158 1 7 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.190 0.140 18832 2159 1 7 . 1 1 71 71 ILE CB C 71 38.690 38.690 40.160 -1.470 18832 2160 1 7 . 1 1 71 71 ILE H H 71 7.776 7.776 7.973 -0.197 18832 2161 1 7 . 1 1 72 72 VAL N N 72 124.540 124.540 118.672 5.868 18832 2162 1 7 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.364 -0.294 18832 2163 1 7 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.898 -0.258 18832 2164 1 7 . 1 1 72 72 VAL CB C 72 32.690 32.690 31.542 1.148 18832 2165 1 7 . 1 1 72 72 VAL H H 72 8.089 8.089 8.401 -0.312 18832 2166 1 7 . 1 1 73 73 GLU N N 73 125.940 125.940 122.308 3.632 18832 2167 1 7 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.576 -0.296 18832 2168 1 7 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.749 0.861 18832 2169 1 7 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.090 1.621 18832 2170 1 7 . 1 1 73 73 GLU H H 73 8.464 8.464 8.213 0.251 18832 2171 1 8 . 1 1 2 2 THR N N 2 116.400 116.400 118.794 -2.394 18832 2172 1 8 . 1 1 2 2 THR HA H 2 4.120 4.120 4.189 -0.069 18832 2173 1 8 . 1 1 2 2 THR CA C 2 62.100 62.100 63.379 -1.279 18832 2174 1 8 . 1 1 2 2 THR CB C 2 69.440 69.440 69.204 0.236 18832 2175 1 8 . 1 1 2 2 THR H H 2 8.150 8.150 8.629 -0.479 18832 2176 1 8 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.545 -0.235 18832 2177 1 8 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.854 -0.104 18832 2178 1 8 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.388 -0.768 18832 2179 1 8 . 1 1 4 4 TRP N N 4 123.300 123.300 120.765 2.535 18832 2180 1 8 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.699 -0.219 18832 2181 1 8 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.210 1.350 18832 2182 1 8 . 1 1 4 4 TRP CB C 4 29.490 29.490 32.138 -2.648 18832 2183 1 8 . 1 1 4 4 TRP H H 4 8.108 8.108 7.541 0.567 18832 2184 1 8 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.575 -0.005 18832 2185 1 8 . 1 1 5 5 VAL CB C 5 30.840 30.840 34.731 -3.891 18832 2186 1 8 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.808 0.002 18832 2187 1 8 . 1 1 6 6 PRO CB C 6 32.210 32.210 31.295 0.915 18832 2188 1 8 . 1 1 7 7 THR HA H 7 4.270 4.270 3.798 0.472 18832 2189 1 8 . 1 1 7 7 THR CA C 7 60.890 60.890 62.536 -1.646 18832 2190 1 8 . 1 1 7 7 THR CB C 7 70.140 70.140 68.799 1.341 18832 2191 1 8 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.076 0.364 18832 2192 1 8 . 1 1 8 8 LYS CA C 8 55.980 55.980 57.839 -1.859 18832 2193 1 8 . 1 1 8 8 LYS CB C 8 35.050 35.050 32.887 2.163 18832 2194 1 8 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.431 0.149 18832 2195 1 8 . 1 1 10 10 GLU CA C 10 55.570 55.570 55.671 -0.101 18832 2196 1 8 . 1 1 10 10 GLU CB C 10 30.780 30.780 32.167 -1.387 18832 2197 1 8 . 1 1 11 11 GLU N N 11 122.500 122.500 120.494 2.006 18832 2198 1 8 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.425 -0.085 18832 2199 1 8 . 1 1 11 11 GLU CA C 11 57.140 57.140 56.171 0.969 18832 2200 1 8 . 1 1 11 11 GLU CB C 11 29.400 29.400 29.266 0.134 18832 2201 1 8 . 1 1 11 11 GLU H H 11 8.271 8.271 8.583 -0.312 18832 2202 1 8 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.105 0.275 18832 2203 1 8 . 1 1 12 12 LYS CA C 12 55.790 55.790 54.893 0.897 18832 2204 1 8 . 1 1 12 12 LYS CB C 12 33.600 33.600 34.524 -0.924 18832 2205 1 8 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.629 0.931 18832 2206 1 8 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.339 -0.479 18832 2207 1 8 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.368 2.072 18832 2208 1 8 . 1 1 14 14 GLY N N 14 105.320 105.320 106.326 -1.006 18832 2209 1 8 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.798 0.442 18832 2210 1 8 . 1 1 14 14 GLY H H 14 8.401 8.401 8.675 -0.274 18832 2211 1 8 . 1 1 15 15 VAL N N 15 118.900 118.900 119.343 -0.443 18832 2212 1 8 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.736 0.605 18832 2213 1 8 . 1 1 15 15 VAL CA C 15 59.210 59.210 59.736 -0.526 18832 2214 1 8 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.198 0.542 18832 2215 1 8 . 1 1 15 15 VAL H H 15 8.851 8.851 8.838 0.013 18832 2216 1 8 . 1 1 16 16 ALA N N 16 129.460 129.460 128.750 0.710 18832 2217 1 8 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.605 -0.605 18832 2218 1 8 . 1 1 16 16 ALA CA C 16 52.000 52.000 49.767 2.233 18832 2219 1 8 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.375 -2.045 18832 2220 1 8 . 1 1 16 16 ALA H H 16 9.113 9.113 8.553 0.560 18832 2221 1 8 . 1 1 17 17 PHE N N 17 124.070 124.070 120.750 3.320 18832 2222 1 8 . 1 1 17 17 PHE HA H 17 4.801 4.801 5.134 -0.333 18832 2223 1 8 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.669 0.561 18832 2224 1 8 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.878 1.122 18832 2225 1 8 . 1 1 17 17 PHE H H 17 8.787 8.787 8.289 0.498 18832 2226 1 8 . 1 1 18 18 TYR N N 18 118.210 118.210 122.991 -4.781 18832 2227 1 8 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.303 0.180 18832 2228 1 8 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.227 -1.927 18832 2229 1 8 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.958 0.852 18832 2230 1 8 . 1 1 18 18 TYR H H 18 7.281 7.281 7.739 -0.458 18832 2231 1 8 . 1 1 19 19 ASN N N 19 116.800 116.800 119.394 -2.594 18832 2232 1 8 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.845 -0.135 18832 2233 1 8 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.868 0.071 18832 2234 1 8 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.636 0.424 18832 2235 1 8 . 1 1 19 19 ASN H H 19 8.134 8.134 8.363 -0.229 18832 2236 1 8 . 1 1 20 20 TYR N N 20 122.190 122.190 122.565 -0.375 18832 2237 1 8 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.567 0.120 18832 2238 1 8 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.728 -0.008 18832 2239 1 8 . 1 1 20 20 TYR CB C 20 42.250 42.250 39.923 2.326 18832 2240 1 8 . 1 1 20 20 TYR H H 20 8.993 8.993 7.918 1.075 18832 2241 1 8 . 1 1 21 21 ASP N N 21 128.520 128.520 126.311 2.209 18832 2242 1 8 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.653 0.137 18832 2243 1 8 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.522 -0.152 18832 2244 1 8 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.383 -1.253 18832 2245 1 8 . 1 1 21 21 ASP H H 21 7.838 7.838 8.219 -0.381 18832 2246 1 8 . 1 1 22 22 ALA N N 22 125.240 125.240 127.177 -1.937 18832 2247 1 8 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.141 -0.090 18832 2248 1 8 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.399 0.541 18832 2249 1 8 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.951 0.499 18832 2250 1 8 . 1 1 22 22 ALA H H 22 8.103 8.103 8.560 -0.457 18832 2251 1 8 . 1 1 23 23 ARG N N 23 122.190 122.190 121.647 0.543 18832 2252 1 8 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.286 0.060 18832 2253 1 8 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.474 -0.983 18832 2254 1 8 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.819 -0.119 18832 2255 1 8 . 1 1 23 23 ARG H H 23 8.887 8.887 8.705 0.182 18832 2256 1 8 . 1 1 24 24 GLY N N 24 105.320 105.320 105.823 -0.503 18832 2257 1 8 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.714 -0.214 18832 2258 1 8 . 1 1 24 24 GLY H H 24 7.258 7.258 7.535 -0.277 18832 2259 1 8 . 1 1 25 25 ALA N N 25 122.190 122.190 121.740 0.450 18832 2260 1 8 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.296 -0.130 18832 2261 1 8 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.704 0.736 18832 2262 1 8 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.180 -0.410 18832 2263 1 8 . 1 1 25 25 ALA H H 25 8.627 8.627 8.362 0.265 18832 2264 1 8 . 1 1 26 26 ASP N N 26 114.690 114.690 116.771 -2.081 18832 2265 1 8 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.477 0.223 18832 2266 1 8 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.984 -2.114 18832 2267 1 8 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.088 -0.698 18832 2268 1 8 . 1 1 26 26 ASP H H 26 8.955 8.955 8.570 0.385 18832 2269 1 8 . 1 1 27 27 GLU N N 27 118.910 118.910 116.151 2.759 18832 2270 1 8 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.773 0.429 18832 2271 1 8 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.488 -0.558 18832 2272 1 8 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.886 -0.006 18832 2273 1 8 . 1 1 27 27 GLU H H 27 7.537 7.537 7.490 0.047 18832 2274 1 8 . 1 1 28 28 LEU N N 28 121.490 121.490 120.323 1.167 18832 2275 1 8 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.723 0.033 18832 2276 1 8 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.071 -0.951 18832 2277 1 8 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.866 -0.366 18832 2278 1 8 . 1 1 28 28 LEU H H 28 8.890 8.890 8.704 0.186 18832 2279 1 8 . 1 1 29 29 SER N N 29 115.870 115.870 120.015 -4.145 18832 2280 1 8 . 1 1 29 29 SER HA H 29 5.009 5.009 4.364 0.645 18832 2281 1 8 . 1 1 29 29 SER CA C 29 58.470 58.470 59.208 -0.738 18832 2282 1 8 . 1 1 29 29 SER CB C 29 63.690 63.690 63.500 0.190 18832 2283 1 8 . 1 1 29 29 SER H H 29 7.948 7.948 8.458 -0.510 18832 2284 1 8 . 1 1 30 30 LEU N N 30 121.260 121.260 127.185 -5.925 18832 2285 1 8 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.818 -0.042 18832 2286 1 8 . 1 1 30 30 LEU CA C 30 52.940 52.940 53.838 -0.898 18832 2287 1 8 . 1 1 30 30 LEU CB C 30 46.370 46.370 44.556 1.814 18832 2288 1 8 . 1 1 30 30 LEU H H 30 9.500 9.500 8.076 1.424 18832 2289 1 8 . 1 1 31 31 GLN N N 31 123.130 123.130 120.459 2.671 18832 2290 1 8 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.127 -0.062 18832 2291 1 8 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.924 -0.984 18832 2292 1 8 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.881 -1.691 18832 2293 1 8 . 1 1 31 31 GLN H H 31 9.147 9.147 8.525 0.622 18832 2294 1 8 . 1 1 32 32 ILE N N 32 120.790 120.790 121.282 -0.492 18832 2295 1 8 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.109 -1.077 18832 2296 1 8 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.072 1.178 18832 2297 1 8 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.884 0.056 18832 2298 1 8 . 1 1 32 32 ILE H H 32 8.016 8.016 8.349 -0.333 18832 2299 1 8 . 1 1 33 33 GLY N N 33 115.870 115.870 115.216 0.654 18832 2300 1 8 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.808 -0.308 18832 2301 1 8 . 1 1 33 33 GLY H H 33 8.775 8.775 9.011 -0.236 18832 2302 1 8 . 1 1 34 34 ASP N N 34 122.430 122.430 122.693 -0.263 18832 2303 1 8 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.954 -0.320 18832 2304 1 8 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.825 2.035 18832 2305 1 8 . 1 1 34 34 ASP CB C 34 41.310 41.310 41.873 -0.563 18832 2306 1 8 . 1 1 34 34 ASP H H 34 8.686 8.686 7.783 0.903 18832 2307 1 8 . 1 1 35 35 THR N N 35 117.980 117.980 118.630 -0.650 18832 2308 1 8 . 1 1 35 35 THR HA H 35 5.154 5.154 4.995 0.159 18832 2309 1 8 . 1 1 35 35 THR CA C 35 61.450 61.450 62.382 -0.931 18832 2310 1 8 . 1 1 35 35 THR CB C 35 69.090 69.090 69.948 -0.858 18832 2311 1 8 . 1 1 35 35 THR H H 35 8.392 8.392 8.591 -0.199 18832 2312 1 8 . 1 1 36 36 VAL N N 36 118.200 118.200 118.157 0.043 18832 2313 1 8 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.571 0.581 18832 2314 1 8 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.699 -1.789 18832 2315 1 8 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.279 -1.089 18832 2316 1 8 . 1 1 36 36 VAL H H 36 9.016 9.016 8.978 0.038 18832 2317 1 8 . 1 1 37 37 HIS N N 37 122.190 122.190 123.877 -1.687 18832 2318 1 8 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.813 -0.002 18832 2319 1 8 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.051 -1.491 18832 2320 1 8 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.128 1.132 18832 2321 1 8 . 1 1 37 37 HIS H H 37 8.491 8.491 8.148 0.343 18832 2322 1 8 . 1 1 38 38 ILE N N 38 126.650 126.650 126.006 0.644 18832 2323 1 8 . 1 1 38 38 ILE HA H 38 3.750 3.750 3.894 -0.144 18832 2324 1 8 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.776 -1.136 18832 2325 1 8 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.367 1.513 18832 2326 1 8 . 1 1 38 38 ILE H H 38 8.638 8.638 8.801 -0.163 18832 2327 1 8 . 1 1 39 39 LEU N N 39 126.180 126.180 128.226 -2.046 18832 2328 1 8 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.497 -0.117 18832 2329 1 8 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.706 -0.216 18832 2330 1 8 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.919 -0.169 18832 2331 1 8 . 1 1 39 39 LEU H H 39 9.163 9.163 8.867 0.296 18832 2332 1 8 . 1 1 40 40 GLU N N 40 115.160 115.160 115.928 -0.768 18832 2333 1 8 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.801 0.219 18832 2334 1 8 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.358 -0.269 18832 2335 1 8 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.205 1.525 18832 2336 1 8 . 1 1 40 40 GLU H H 40 7.852 7.852 8.285 -0.433 18832 2337 1 8 . 1 1 41 41 THR HA H 41 4.270 4.270 4.352 -0.082 18832 2338 1 8 . 1 1 41 41 THR CA C 41 61.250 61.250 58.995 2.256 18832 2339 1 8 . 1 1 41 41 THR CB C 41 71.410 71.410 70.002 1.408 18832 2340 1 8 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.346 0.204 18832 2341 1 8 . 1 1 43 43 GLU N N 43 124.100 124.100 119.040 5.060 18832 2342 1 8 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.505 -0.765 18832 2343 1 8 . 1 1 43 43 GLU H H 43 8.590 8.590 8.360 0.230 18832 2344 1 8 . 1 1 44 44 GLY N N 44 110.789 110.789 108.513 2.276 18832 2345 1 8 . 1 1 44 44 GLY CA C 44 45.440 45.440 44.814 0.626 18832 2346 1 8 . 1 1 44 44 GLY H H 44 8.432 8.432 8.119 0.313 18832 2347 1 8 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.648 0.042 18832 2348 1 8 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.358 1.192 18832 2349 1 8 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.644 0.956 18832 2350 1 8 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.800 -0.740 18832 2351 1 8 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.579 1.071 18832 2352 1 8 . 1 1 47 47 ARG N N 47 118.100 118.100 121.507 -3.407 18832 2353 1 8 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.935 0.159 18832 2354 1 8 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.531 -0.471 18832 2355 1 8 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.883 -0.633 18832 2356 1 8 . 1 1 47 47 ARG H H 47 8.492 8.492 8.732 -0.240 18832 2357 1 8 . 1 1 48 48 GLY N N 48 114.000 114.000 113.071 0.929 18832 2358 1 8 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.213 1.347 18832 2359 1 8 . 1 1 48 48 GLY H H 48 9.183 9.183 8.917 0.266 18832 2360 1 8 . 1 1 49 49 TYR N N 49 116.100 116.100 115.102 0.998 18832 2361 1 8 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.275 0.098 18832 2362 1 8 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.743 -0.633 18832 2363 1 8 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.340 0.410 18832 2364 1 8 . 1 1 49 49 TYR H H 49 8.194 8.194 8.090 0.104 18832 2365 1 8 . 1 1 50 50 THR N N 50 112.350 112.350 116.849 -4.499 18832 2366 1 8 . 1 1 50 50 THR HA H 50 5.105 5.105 4.403 0.702 18832 2367 1 8 . 1 1 50 50 THR CA C 50 59.770 59.770 61.804 -2.034 18832 2368 1 8 . 1 1 50 50 THR CB C 50 69.460 69.460 69.819 -0.359 18832 2369 1 8 . 1 1 50 50 THR H H 50 9.441 9.441 8.754 0.687 18832 2370 1 8 . 1 1 51 51 LEU N N 51 121.260 121.260 120.694 0.566 18832 2371 1 8 . 1 1 51 51 LEU HA H 51 4.236 4.236 3.970 0.266 18832 2372 1 8 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.800 -0.010 18832 2373 1 8 . 1 1 51 51 LEU CB C 51 40.000 40.000 40.876 -0.876 18832 2374 1 8 . 1 1 51 51 LEU H H 51 8.310 8.310 7.843 0.467 18832 2375 1 8 . 1 1 52 52 ARG N N 52 116.570 116.570 118.937 -2.367 18832 2376 1 8 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.088 0.162 18832 2377 1 8 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.432 -1.082 18832 2378 1 8 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.421 0.089 18832 2379 1 8 . 1 1 52 52 ARG H H 52 8.047 8.047 8.463 -0.416 18832 2380 1 8 . 1 1 53 53 LYS N N 53 122.660 122.660 116.227 6.433 18832 2381 1 8 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.556 0.060 18832 2382 1 8 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.223 -0.603 18832 2383 1 8 . 1 1 53 53 LYS CB C 53 32.860 32.860 32.117 0.743 18832 2384 1 8 . 1 1 53 53 LYS H H 53 7.649 7.649 7.941 -0.292 18832 2385 1 8 . 1 1 54 54 LYS N N 54 125.010 125.010 121.685 3.325 18832 2386 1 8 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.316 -0.226 18832 2387 1 8 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.597 -0.127 18832 2388 1 8 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.395 -0.265 18832 2389 1 8 . 1 1 54 54 LYS H H 54 8.496 8.496 8.463 0.033 18832 2390 1 8 . 1 1 55 55 SER N N 55 110.240 110.240 114.703 -4.463 18832 2391 1 8 . 1 1 55 55 SER HA H 55 4.122 4.122 4.214 -0.092 18832 2392 1 8 . 1 1 55 55 SER CA C 55 58.960 58.960 60.374 -1.414 18832 2393 1 8 . 1 1 55 55 SER CB C 55 63.310 63.310 63.442 -0.132 18832 2394 1 8 . 1 1 55 55 SER H H 55 7.857 7.857 8.137 -0.280 18832 2395 1 8 . 1 1 56 56 LYS N N 56 124.070 124.070 120.424 3.646 18832 2396 1 8 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.234 0.434 18832 2397 1 8 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.754 -1.944 18832 2398 1 8 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.042 0.208 18832 2399 1 8 . 1 1 56 56 LYS H H 56 7.473 7.473 8.048 -0.575 18832 2400 1 8 . 1 1 57 57 LYS N N 57 125.940 125.940 122.792 3.148 18832 2401 1 8 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.647 0.694 18832 2402 1 8 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.197 -0.577 18832 2403 1 8 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.680 -1.440 18832 2404 1 8 . 1 1 57 57 LYS H H 57 8.474 8.474 8.193 0.281 18832 2405 1 8 . 1 1 58 58 GLY N N 58 109.540 109.540 107.124 2.416 18832 2406 1 8 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.105 0.515 18832 2407 1 8 . 1 1 58 58 GLY H H 58 9.075 9.075 8.748 0.327 18832 2408 1 8 . 1 1 59 59 ILE N N 59 113.900 113.900 115.462 -1.562 18832 2409 1 8 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.985 1.015 18832 2410 1 8 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.085 0.505 18832 2411 1 8 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.196 -0.056 18832 2412 1 8 . 1 1 59 59 ILE H H 59 8.628 8.628 8.185 0.443 18832 2413 1 8 . 1 1 60 60 PHE N N 60 117.040 117.040 116.985 0.055 18832 2414 1 8 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.543 -0.423 18832 2415 1 8 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.779 -0.719 18832 2416 1 8 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.196 -3.006 18832 2417 1 8 . 1 1 60 60 PHE H H 60 8.724 8.724 8.585 0.139 18832 2418 1 8 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.604 -1.124 18832 2419 1 8 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.001 0.199 18832 2420 1 8 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.372 -1.182 18832 2421 1 8 . 1 1 62 62 ALA N N 62 124.770 124.770 127.396 -2.626 18832 2422 1 8 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.005 -0.295 18832 2423 1 8 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.158 0.212 18832 2424 1 8 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.347 -0.697 18832 2425 1 8 . 1 1 62 62 ALA H H 62 7.898 7.898 8.118 -0.220 18832 2426 1 8 . 1 1 63 63 SER N N 63 109.700 109.700 114.355 -4.655 18832 2427 1 8 . 1 1 63 63 SER HA H 63 4.200 4.200 4.167 0.033 18832 2428 1 8 . 1 1 63 63 SER CA C 63 59.400 59.400 60.787 -1.387 18832 2429 1 8 . 1 1 63 63 SER CB C 63 62.380 62.380 62.884 -0.504 18832 2430 1 8 . 1 1 63 63 SER H H 63 8.030 8.030 8.305 -0.275 18832 2431 1 8 . 1 1 64 64 TYR N N 64 120.300 120.300 113.402 6.898 18832 2432 1 8 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.294 -0.044 18832 2433 1 8 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.737 2.983 18832 2434 1 8 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.396 0.164 18832 2435 1 8 . 1 1 64 64 TYR H H 64 7.128 7.128 6.964 0.164 18832 2436 1 8 . 1 1 65 65 ILE N N 65 118.000 118.000 121.955 -3.955 18832 2437 1 8 . 1 1 65 65 ILE HA H 65 4.810 4.810 5.046 -0.236 18832 2438 1 8 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.177 -2.197 18832 2439 1 8 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.302 0.328 18832 2440 1 8 . 1 1 65 65 ILE H H 65 7.671 7.671 7.430 0.241 18832 2441 1 8 . 1 1 66 66 HIS N N 66 124.300 124.300 127.515 -3.215 18832 2442 1 8 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.942 0.188 18832 2443 1 8 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.690 -1.630 18832 2444 1 8 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.674 -2.164 18832 2445 1 8 . 1 1 66 66 HIS H H 66 9.159 9.159 9.162 -0.003 18832 2446 1 8 . 1 1 67 67 LEU N N 67 127.580 127.580 128.873 -1.293 18832 2447 1 8 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.340 0.230 18832 2448 1 8 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.104 -0.804 18832 2449 1 8 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.755 0.305 18832 2450 1 8 . 1 1 67 67 LEU H H 67 8.992 8.992 8.484 0.508 18832 2451 1 8 . 1 1 68 68 LYS N N 68 121.900 121.900 123.226 -1.326 18832 2452 1 8 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.444 0.046 18832 2453 1 8 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.397 -0.287 18832 2454 1 8 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.157 1.453 18832 2455 1 8 . 1 1 68 68 LYS H H 68 8.499 8.499 8.304 0.195 18832 2456 1 8 . 1 1 69 69 GLU N N 69 122.190 122.190 119.371 2.819 18832 2457 1 8 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.172 0.108 18832 2458 1 8 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.159 0.451 18832 2459 1 8 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.726 0.604 18832 2460 1 8 . 1 1 69 69 GLU H H 69 8.569 8.569 8.705 -0.136 18832 2461 1 8 . 1 1 70 70 ALA N N 70 123.370 123.370 120.931 2.439 18832 2462 1 8 . 1 1 70 70 ALA HA H 70 4.200 4.200 3.912 0.288 18832 2463 1 8 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.349 -0.539 18832 2464 1 8 . 1 1 70 70 ALA CB C 70 19.700 19.700 17.744 1.956 18832 2465 1 8 . 1 1 70 70 ALA H H 70 8.181 8.181 7.991 0.190 18832 2466 1 8 . 1 1 71 71 ILE N N 71 120.080 120.080 118.377 1.703 18832 2467 1 8 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.470 -0.400 18832 2468 1 8 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.516 -0.186 18832 2469 1 8 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.164 -0.474 18832 2470 1 8 . 1 1 71 71 ILE H H 71 7.776 7.776 7.926 -0.150 18832 2471 1 8 . 1 1 72 72 VAL N N 72 124.540 124.540 127.583 -3.043 18832 2472 1 8 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.338 -0.268 18832 2473 1 8 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.084 -0.444 18832 2474 1 8 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.488 0.202 18832 2475 1 8 . 1 1 72 72 VAL H H 72 8.089 8.089 8.590 -0.501 18832 2476 1 8 . 1 1 73 73 GLU N N 73 125.940 125.940 129.045 -3.105 18832 2477 1 8 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.442 -0.162 18832 2478 1 8 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.045 0.565 18832 2479 1 8 . 1 1 73 73 GLU CB C 73 30.710 30.710 28.953 1.757 18832 2480 1 8 . 1 1 73 73 GLU H H 73 8.464 8.464 8.937 -0.473 18832 2481 1 9 . 1 1 2 2 THR N N 2 116.400 116.400 113.623 2.777 18832 2482 1 9 . 1 1 2 2 THR HA H 2 4.120 4.120 4.588 -0.468 18832 2483 1 9 . 1 1 2 2 THR CA C 2 62.100 62.100 61.868 0.232 18832 2484 1 9 . 1 1 2 2 THR CB C 2 69.440 69.440 70.549 -1.109 18832 2485 1 9 . 1 1 2 2 THR H H 2 8.150 8.150 8.194 -0.044 18832 2486 1 9 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.170 0.140 18832 2487 1 9 . 1 1 3 3 ARG CA C 3 55.750 55.750 56.762 -1.012 18832 2488 1 9 . 1 1 3 3 ARG CB C 3 30.620 30.620 29.638 0.982 18832 2489 1 9 . 1 1 4 4 TRP N N 4 123.300 123.300 124.949 -1.649 18832 2490 1 9 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.576 -0.096 18832 2491 1 9 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.417 1.143 18832 2492 1 9 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.279 -0.789 18832 2493 1 9 . 1 1 4 4 TRP H H 4 8.108 8.108 8.151 -0.043 18832 2494 1 9 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.522 0.048 18832 2495 1 9 . 1 1 5 5 VAL CB C 5 30.840 30.840 34.624 -3.784 18832 2496 1 9 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.714 0.096 18832 2497 1 9 . 1 1 6 6 PRO CB C 6 32.210 32.210 31.472 0.738 18832 2498 1 9 . 1 1 7 7 THR HA H 7 4.270 4.270 3.866 0.404 18832 2499 1 9 . 1 1 7 7 THR CA C 7 60.890 60.890 63.163 -2.273 18832 2500 1 9 . 1 1 7 7 THR CB C 7 70.140 70.140 68.751 1.389 18832 2501 1 9 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.445 -0.005 18832 2502 1 9 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.959 0.021 18832 2503 1 9 . 1 1 8 8 LYS CB C 8 35.050 35.050 31.546 3.504 18832 2504 1 9 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.189 0.391 18832 2505 1 9 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.792 -1.222 18832 2506 1 9 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.547 0.233 18832 2507 1 9 . 1 1 11 11 GLU N N 11 122.500 122.500 115.942 6.558 18832 2508 1 9 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.030 0.310 18832 2509 1 9 . 1 1 11 11 GLU CA C 11 57.140 57.140 57.537 -0.397 18832 2510 1 9 . 1 1 11 11 GLU CB C 11 29.400 29.400 27.425 1.975 18832 2511 1 9 . 1 1 11 11 GLU H H 11 8.271 8.271 8.462 -0.191 18832 2512 1 9 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.264 0.116 18832 2513 1 9 . 1 1 12 12 LYS CA C 12 55.790 55.790 54.617 1.173 18832 2514 1 9 . 1 1 12 12 LYS CB C 12 33.600 33.600 35.914 -2.314 18832 2515 1 9 . 1 1 13 13 TYR HA H 13 5.560 5.560 5.072 0.488 18832 2516 1 9 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.877 -0.017 18832 2517 1 9 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.609 2.831 18832 2518 1 9 . 1 1 14 14 GLY N N 14 105.320 105.320 105.425 -0.105 18832 2519 1 9 . 1 1 14 14 GLY CA C 14 45.240 45.240 45.290 -0.050 18832 2520 1 9 . 1 1 14 14 GLY H H 14 8.401 8.401 8.402 -0.001 18832 2521 1 9 . 1 1 15 15 VAL N N 15 118.900 118.900 118.943 -0.043 18832 2522 1 9 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.625 0.716 18832 2523 1 9 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.885 -1.675 18832 2524 1 9 . 1 1 15 15 VAL CB C 15 35.740 35.740 34.264 1.476 18832 2525 1 9 . 1 1 15 15 VAL H H 15 8.851 8.851 8.887 -0.036 18832 2526 1 9 . 1 1 16 16 ALA N N 16 129.460 129.460 125.351 4.109 18832 2527 1 9 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.779 0.221 18832 2528 1 9 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.433 1.567 18832 2529 1 9 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.834 -1.504 18832 2530 1 9 . 1 1 16 16 ALA H H 16 9.113 9.113 8.658 0.455 18832 2531 1 9 . 1 1 17 17 PHE N N 17 124.070 124.070 121.932 2.138 18832 2532 1 9 . 1 1 17 17 PHE HA H 17 4.801 4.801 5.059 -0.258 18832 2533 1 9 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.989 0.241 18832 2534 1 9 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.310 1.690 18832 2535 1 9 . 1 1 17 17 PHE H H 17 8.787 8.787 7.470 1.317 18832 2536 1 9 . 1 1 18 18 TYR N N 18 118.210 118.210 124.252 -6.042 18832 2537 1 9 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.471 0.012 18832 2538 1 9 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.863 -2.563 18832 2539 1 9 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.966 -0.156 18832 2540 1 9 . 1 1 18 18 TYR H H 18 7.281 7.281 7.592 -0.311 18832 2541 1 9 . 1 1 19 19 ASN N N 19 116.800 116.800 120.110 -3.310 18832 2542 1 9 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.765 -0.055 18832 2543 1 9 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.475 0.465 18832 2544 1 9 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.401 0.659 18832 2545 1 9 . 1 1 19 19 ASN H H 19 8.134 8.134 7.608 0.526 18832 2546 1 9 . 1 1 20 20 TYR N N 20 122.190 122.190 122.335 -0.145 18832 2547 1 9 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.565 0.122 18832 2548 1 9 . 1 1 20 20 TYR CA C 20 57.720 57.720 59.164 -1.444 18832 2549 1 9 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.210 2.040 18832 2550 1 9 . 1 1 20 20 TYR H H 20 8.993 8.993 8.091 0.902 18832 2551 1 9 . 1 1 21 21 ASP N N 21 128.520 128.520 127.665 0.855 18832 2552 1 9 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.834 -0.044 18832 2553 1 9 . 1 1 21 21 ASP CA C 21 52.370 52.370 53.135 -0.765 18832 2554 1 9 . 1 1 21 21 ASP CB C 21 41.130 41.130 41.634 -0.504 18832 2555 1 9 . 1 1 21 21 ASP H H 21 7.838 7.838 8.278 -0.440 18832 2556 1 9 . 1 1 22 22 ALA N N 22 125.240 125.240 126.205 -0.965 18832 2557 1 9 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.489 -0.438 18832 2558 1 9 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.524 -0.584 18832 2559 1 9 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.620 0.830 18832 2560 1 9 . 1 1 22 22 ALA H H 22 8.103 8.103 8.626 -0.523 18832 2561 1 9 . 1 1 23 23 ARG N N 23 122.190 122.190 123.857 -1.667 18832 2562 1 9 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.487 -0.141 18832 2563 1 9 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.955 -0.465 18832 2564 1 9 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.218 0.482 18832 2565 1 9 . 1 1 23 23 ARG H H 23 8.887 8.887 8.619 0.268 18832 2566 1 9 . 1 1 24 24 GLY N N 24 105.320 105.320 105.641 -0.321 18832 2567 1 9 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.224 -0.723 18832 2568 1 9 . 1 1 24 24 GLY H H 24 7.258 7.258 7.407 -0.149 18832 2569 1 9 . 1 1 25 25 ALA N N 25 122.190 122.190 121.944 0.246 18832 2570 1 9 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.163 0.003 18832 2571 1 9 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.017 0.423 18832 2572 1 9 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.975 -0.205 18832 2573 1 9 . 1 1 25 25 ALA H H 25 8.627 8.627 8.490 0.137 18832 2574 1 9 . 1 1 26 26 ASP N N 26 114.690 114.690 116.795 -2.105 18832 2575 1 9 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.439 0.261 18832 2576 1 9 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.357 -2.487 18832 2577 1 9 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.121 -0.731 18832 2578 1 9 . 1 1 26 26 ASP H H 26 8.955 8.955 8.508 0.447 18832 2579 1 9 . 1 1 27 27 GLU N N 27 118.910 118.910 116.088 2.822 18832 2580 1 9 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.568 0.634 18832 2581 1 9 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.532 -0.603 18832 2582 1 9 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.379 1.501 18832 2583 1 9 . 1 1 27 27 GLU H H 27 7.537 7.537 7.693 -0.156 18832 2584 1 9 . 1 1 28 28 LEU N N 28 121.490 121.490 122.848 -1.358 18832 2585 1 9 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.593 0.163 18832 2586 1 9 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.022 -0.902 18832 2587 1 9 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.292 0.208 18832 2588 1 9 . 1 1 28 28 LEU H H 28 8.890 8.890 8.427 0.463 18832 2589 1 9 . 1 1 29 29 SER N N 29 115.870 115.870 117.934 -2.064 18832 2590 1 9 . 1 1 29 29 SER HA H 29 5.009 5.009 4.643 0.366 18832 2591 1 9 . 1 1 29 29 SER CA C 29 58.470 58.470 58.967 -0.497 18832 2592 1 9 . 1 1 29 29 SER CB C 29 63.690 63.690 64.054 -0.364 18832 2593 1 9 . 1 1 29 29 SER H H 29 7.948 7.948 8.489 -0.541 18832 2594 1 9 . 1 1 30 30 LEU N N 30 121.260 121.260 127.691 -6.431 18832 2595 1 9 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.677 0.099 18832 2596 1 9 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.411 -1.471 18832 2597 1 9 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.611 0.758 18832 2598 1 9 . 1 1 30 30 LEU H H 30 9.500 9.500 8.294 1.206 18832 2599 1 9 . 1 1 31 31 GLN N N 31 123.130 123.130 121.870 1.260 18832 2600 1 9 . 1 1 31 31 GLN HA H 31 5.065 5.065 4.850 0.215 18832 2601 1 9 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.593 -0.653 18832 2602 1 9 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.348 -1.158 18832 2603 1 9 . 1 1 31 31 GLN H H 31 9.147 9.147 8.425 0.722 18832 2604 1 9 . 1 1 32 32 ILE N N 32 120.790 120.790 120.926 -0.136 18832 2605 1 9 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.077 -1.045 18832 2606 1 9 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.200 1.050 18832 2607 1 9 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.742 0.198 18832 2608 1 9 . 1 1 32 32 ILE H H 32 8.016 8.016 8.628 -0.612 18832 2609 1 9 . 1 1 33 33 GLY N N 33 115.870 115.870 115.536 0.334 18832 2610 1 9 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.870 -0.370 18832 2611 1 9 . 1 1 33 33 GLY H H 33 8.775 8.775 8.981 -0.206 18832 2612 1 9 . 1 1 34 34 ASP N N 34 122.430 122.430 121.950 0.480 18832 2613 1 9 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.941 -0.307 18832 2614 1 9 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.941 1.919 18832 2615 1 9 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.191 -0.881 18832 2616 1 9 . 1 1 34 34 ASP H H 34 8.686 8.686 7.748 0.938 18832 2617 1 9 . 1 1 35 35 THR N N 35 117.980 117.980 116.801 1.179 18832 2618 1 9 . 1 1 35 35 THR HA H 35 5.154 5.154 5.000 0.154 18832 2619 1 9 . 1 1 35 35 THR CA C 35 61.450 61.450 61.936 -0.486 18832 2620 1 9 . 1 1 35 35 THR CB C 35 69.090 69.090 69.951 -0.861 18832 2621 1 9 . 1 1 35 35 THR H H 35 8.392 8.392 8.451 -0.059 18832 2622 1 9 . 1 1 36 36 VAL N N 36 118.200 118.200 116.842 1.358 18832 2623 1 9 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.637 0.515 18832 2624 1 9 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.592 -2.682 18832 2625 1 9 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.349 -1.159 18832 2626 1 9 . 1 1 36 36 VAL H H 36 9.016 9.016 9.200 -0.184 18832 2627 1 9 . 1 1 37 37 HIS N N 37 122.190 122.190 126.143 -3.953 18832 2628 1 9 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.999 -0.188 18832 2629 1 9 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.460 -0.900 18832 2630 1 9 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.038 1.222 18832 2631 1 9 . 1 1 37 37 HIS H H 37 8.491 8.491 8.958 -0.467 18832 2632 1 9 . 1 1 38 38 ILE N N 38 126.650 126.650 127.330 -0.680 18832 2633 1 9 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.045 -0.295 18832 2634 1 9 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.107 -0.467 18832 2635 1 9 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.924 0.956 18832 2636 1 9 . 1 1 38 38 ILE H H 38 8.638 8.638 8.681 -0.043 18832 2637 1 9 . 1 1 39 39 LEU N N 39 126.180 126.180 123.562 2.618 18832 2638 1 9 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.613 -0.233 18832 2639 1 9 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.898 0.592 18832 2640 1 9 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.427 0.323 18832 2641 1 9 . 1 1 39 39 LEU H H 39 9.163 9.163 8.799 0.364 18832 2642 1 9 . 1 1 40 40 GLU N N 40 115.160 115.160 117.059 -1.899 18832 2643 1 9 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.954 0.066 18832 2644 1 9 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.336 -0.245 18832 2645 1 9 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.194 1.536 18832 2646 1 9 . 1 1 40 40 GLU H H 40 7.852 7.852 7.795 0.057 18832 2647 1 9 . 1 1 41 41 THR HA H 41 4.270 4.270 4.599 -0.329 18832 2648 1 9 . 1 1 41 41 THR CA C 41 61.250 61.250 60.163 1.087 18832 2649 1 9 . 1 1 41 41 THR CB C 41 71.410 71.410 70.869 0.541 18832 2650 1 9 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.375 0.175 18832 2651 1 9 . 1 1 43 43 GLU N N 43 124.100 124.100 119.769 4.331 18832 2652 1 9 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.128 -0.388 18832 2653 1 9 . 1 1 43 43 GLU H H 43 8.590 8.590 7.881 0.709 18832 2654 1 9 . 1 1 44 44 GLY N N 44 110.789 110.789 108.064 2.725 18832 2655 1 9 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.035 0.405 18832 2656 1 9 . 1 1 44 44 GLY H H 44 8.432 8.432 8.317 0.115 18832 2657 1 9 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.624 0.066 18832 2658 1 9 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.103 1.447 18832 2659 1 9 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.625 0.975 18832 2660 1 9 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.759 -0.699 18832 2661 1 9 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.290 1.360 18832 2662 1 9 . 1 1 47 47 ARG N N 47 118.100 118.100 119.906 -1.806 18832 2663 1 9 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.032 0.062 18832 2664 1 9 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.058 0.002 18832 2665 1 9 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.410 -1.161 18832 2666 1 9 . 1 1 47 47 ARG H H 47 8.492 8.492 8.145 0.347 18832 2667 1 9 . 1 1 48 48 GLY N N 48 114.000 114.000 110.707 3.293 18832 2668 1 9 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.066 0.494 18832 2669 1 9 . 1 1 48 48 GLY H H 48 9.183 9.183 8.948 0.235 18832 2670 1 9 . 1 1 49 49 TYR N N 49 116.100 116.100 114.653 1.447 18832 2671 1 9 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.215 0.158 18832 2672 1 9 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.223 -1.113 18832 2673 1 9 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.686 0.064 18832 2674 1 9 . 1 1 49 49 TYR H H 49 8.194 8.194 8.077 0.117 18832 2675 1 9 . 1 1 50 50 THR N N 50 112.350 112.350 113.730 -1.380 18832 2676 1 9 . 1 1 50 50 THR HA H 50 5.105 5.105 4.709 0.396 18832 2677 1 9 . 1 1 50 50 THR CA C 50 59.770 59.770 60.946 -1.176 18832 2678 1 9 . 1 1 50 50 THR CB C 50 69.460 69.460 70.039 -0.579 18832 2679 1 9 . 1 1 50 50 THR H H 50 9.441 9.441 8.745 0.696 18832 2680 1 9 . 1 1 51 51 LEU N N 51 121.260 121.260 120.746 0.514 18832 2681 1 9 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.139 0.097 18832 2682 1 9 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.638 0.152 18832 2683 1 9 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.073 -1.073 18832 2684 1 9 . 1 1 51 51 LEU H H 51 8.310 8.310 8.122 0.188 18832 2685 1 9 . 1 1 52 52 ARG N N 52 116.570 116.570 117.341 -0.771 18832 2686 1 9 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.161 0.089 18832 2687 1 9 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.287 -0.937 18832 2688 1 9 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.655 -0.145 18832 2689 1 9 . 1 1 52 52 ARG H H 52 8.047 8.047 8.371 -0.324 18832 2690 1 9 . 1 1 53 53 LYS N N 53 122.660 122.660 119.527 3.133 18832 2691 1 9 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.648 -0.032 18832 2692 1 9 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.334 -0.714 18832 2693 1 9 . 1 1 53 53 LYS CB C 53 32.860 32.860 32.264 0.596 18832 2694 1 9 . 1 1 53 53 LYS H H 53 7.649 7.649 7.860 -0.211 18832 2695 1 9 . 1 1 54 54 LYS N N 54 125.010 125.010 122.877 2.133 18832 2696 1 9 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.289 -0.199 18832 2697 1 9 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.703 -0.232 18832 2698 1 9 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.407 -0.277 18832 2699 1 9 . 1 1 54 54 LYS H H 54 8.496 8.496 8.504 -0.008 18832 2700 1 9 . 1 1 55 55 SER N N 55 110.240 110.240 113.403 -3.163 18832 2701 1 9 . 1 1 55 55 SER HA H 55 4.122 4.122 4.244 -0.122 18832 2702 1 9 . 1 1 55 55 SER CA C 55 58.960 58.960 60.083 -1.123 18832 2703 1 9 . 1 1 55 55 SER CB C 55 63.310 63.310 63.318 -0.007 18832 2704 1 9 . 1 1 55 55 SER H H 55 7.857 7.857 8.249 -0.392 18832 2705 1 9 . 1 1 56 56 LYS N N 56 124.070 124.070 121.574 2.496 18832 2706 1 9 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.185 0.483 18832 2707 1 9 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.893 -2.083 18832 2708 1 9 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.508 0.742 18832 2709 1 9 . 1 1 56 56 LYS H H 56 7.473 7.473 8.090 -0.617 18832 2710 1 9 . 1 1 57 57 LYS N N 57 125.940 125.940 123.507 2.433 18832 2711 1 9 . 1 1 57 57 LYS HA H 57 5.341 5.341 5.169 0.172 18832 2712 1 9 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.795 -0.175 18832 2713 1 9 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.884 -1.644 18832 2714 1 9 . 1 1 57 57 LYS H H 57 8.474 8.474 8.232 0.242 18832 2715 1 9 . 1 1 58 58 GLY N N 58 109.540 109.540 110.674 -1.134 18832 2716 1 9 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.572 1.048 18832 2717 1 9 . 1 1 58 58 GLY H H 58 9.075 9.075 8.978 0.097 18832 2718 1 9 . 1 1 59 59 ILE N N 59 113.900 113.900 115.325 -1.425 18832 2719 1 9 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.007 0.993 18832 2720 1 9 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.434 1.155 18832 2721 1 9 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.378 -0.238 18832 2722 1 9 . 1 1 59 59 ILE H H 59 8.628 8.628 8.074 0.554 18832 2723 1 9 . 1 1 60 60 PHE N N 60 117.040 117.040 117.014 0.026 18832 2724 1 9 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.310 -0.190 18832 2725 1 9 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.718 -0.658 18832 2726 1 9 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.579 -2.389 18832 2727 1 9 . 1 1 60 60 PHE H H 60 8.724 8.724 8.318 0.406 18832 2728 1 9 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.605 -1.125 18832 2729 1 9 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.521 -0.321 18832 2730 1 9 . 1 1 61 61 PRO CB C 61 31.190 31.190 33.049 -1.859 18832 2731 1 9 . 1 1 62 62 ALA N N 62 124.770 124.770 126.064 -1.294 18832 2732 1 9 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.153 -0.443 18832 2733 1 9 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.416 -0.046 18832 2734 1 9 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.204 -0.554 18832 2735 1 9 . 1 1 62 62 ALA H H 62 7.898 7.898 8.375 -0.477 18832 2736 1 9 . 1 1 63 63 SER N N 63 109.700 109.700 113.349 -3.649 18832 2737 1 9 . 1 1 63 63 SER HA H 63 4.200 4.200 4.253 -0.053 18832 2738 1 9 . 1 1 63 63 SER CA C 63 59.400 59.400 59.250 0.150 18832 2739 1 9 . 1 1 63 63 SER CB C 63 62.380 62.380 62.840 -0.460 18832 2740 1 9 . 1 1 63 63 SER H H 63 8.030 8.030 8.280 -0.250 18832 2741 1 9 . 1 1 64 64 TYR N N 64 120.300 120.300 118.004 2.296 18832 2742 1 9 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.337 -0.087 18832 2743 1 9 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.310 1.410 18832 2744 1 9 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.612 -1.052 18832 2745 1 9 . 1 1 64 64 TYR H H 64 7.128 7.128 7.401 -0.273 18832 2746 1 9 . 1 1 65 65 ILE N N 65 118.000 118.000 118.350 -0.350 18832 2747 1 9 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.553 0.257 18832 2748 1 9 . 1 1 65 65 ILE CA C 65 56.980 56.980 58.787 -1.807 18832 2749 1 9 . 1 1 65 65 ILE CB C 65 39.630 39.630 41.707 -2.077 18832 2750 1 9 . 1 1 65 65 ILE H H 65 7.671 7.671 7.268 0.403 18832 2751 1 9 . 1 1 66 66 HIS N N 66 124.300 124.300 122.533 1.767 18832 2752 1 9 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.889 0.241 18832 2753 1 9 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.790 -1.730 18832 2754 1 9 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.183 -2.673 18832 2755 1 9 . 1 1 66 66 HIS H H 66 9.159 9.159 9.100 0.059 18832 2756 1 9 . 1 1 67 67 LEU N N 67 127.580 127.580 127.360 0.220 18832 2757 1 9 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.328 0.242 18832 2758 1 9 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.522 -0.222 18832 2759 1 9 . 1 1 67 67 LEU CB C 67 42.060 42.060 40.980 1.080 18832 2760 1 9 . 1 1 67 67 LEU H H 67 8.992 8.992 8.618 0.374 18832 2761 1 9 . 1 1 68 68 LYS N N 68 121.900 121.900 125.621 -3.721 18832 2762 1 9 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.699 -0.209 18832 2763 1 9 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.535 0.575 18832 2764 1 9 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.289 0.321 18832 2765 1 9 . 1 1 68 68 LYS H H 68 8.499 8.499 8.272 0.227 18832 2766 1 9 . 1 1 69 69 GLU N N 69 122.190 122.190 120.769 1.421 18832 2767 1 9 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.366 -0.086 18832 2768 1 9 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.660 0.950 18832 2769 1 9 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.606 0.724 18832 2770 1 9 . 1 1 69 69 GLU H H 69 8.569 8.569 8.745 -0.176 18832 2771 1 9 . 1 1 70 70 ALA N N 70 123.370 123.370 129.131 -5.761 18832 2772 1 9 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.293 -0.093 18832 2773 1 9 . 1 1 70 70 ALA CA C 70 51.810 51.810 51.420 0.390 18832 2774 1 9 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.052 1.648 18832 2775 1 9 . 1 1 70 70 ALA H H 70 8.181 8.181 8.564 -0.383 18832 2776 1 9 . 1 1 71 71 ILE N N 71 120.080 120.080 120.688 -0.608 18832 2777 1 9 . 1 1 71 71 ILE HA H 71 4.070 4.070 3.723 0.347 18832 2778 1 9 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.925 -1.595 18832 2779 1 9 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.186 0.504 18832 2780 1 9 . 1 1 71 71 ILE H H 71 7.776 7.776 8.077 -0.301 18832 2781 1 9 . 1 1 72 72 VAL N N 72 124.540 124.540 122.401 2.139 18832 2782 1 9 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.347 -0.277 18832 2783 1 9 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.548 -0.909 18832 2784 1 9 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.186 0.504 18832 2785 1 9 . 1 1 72 72 VAL H H 72 8.089 8.089 8.157 -0.068 18832 2786 1 9 . 1 1 73 73 GLU N N 73 125.940 125.940 127.254 -1.314 18832 2787 1 9 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.579 -0.299 18832 2788 1 9 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.321 0.289 18832 2789 1 9 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.483 1.226 18832 2790 1 9 . 1 1 73 73 GLU H H 73 8.464 8.464 8.953 -0.489 18832 2791 1 10 . 1 1 2 2 THR N N 2 116.400 116.400 120.027 -3.627 18832 2792 1 10 . 1 1 2 2 THR HA H 2 4.120 4.120 4.714 -0.594 18832 2793 1 10 . 1 1 2 2 THR CA C 2 62.100 62.100 62.604 -0.504 18832 2794 1 10 . 1 1 2 2 THR CB C 2 69.440 69.440 69.397 0.044 18832 2795 1 10 . 1 1 2 2 THR H H 2 8.150 8.150 8.392 -0.242 18832 2796 1 10 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.732 -0.422 18832 2797 1 10 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.419 0.331 18832 2798 1 10 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.757 -1.137 18832 2799 1 10 . 1 1 4 4 TRP N N 4 123.300 123.300 125.935 -2.635 18832 2800 1 10 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.829 -0.349 18832 2801 1 10 . 1 1 4 4 TRP CA C 4 57.560 57.560 57.741 -0.181 18832 2802 1 10 . 1 1 4 4 TRP CB C 4 29.490 29.490 29.763 -0.273 18832 2803 1 10 . 1 1 4 4 TRP H H 4 8.108 8.108 8.706 -0.598 18832 2804 1 10 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.174 0.396 18832 2805 1 10 . 1 1 5 5 VAL CB C 5 30.840 30.840 31.349 -0.509 18832 2806 1 10 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.309 0.500 18832 2807 1 10 . 1 1 6 6 PRO CB C 6 32.210 32.210 31.623 0.587 18832 2808 1 10 . 1 1 7 7 THR HA H 7 4.270 4.270 3.890 0.380 18832 2809 1 10 . 1 1 7 7 THR CA C 7 60.890 60.890 63.025 -2.135 18832 2810 1 10 . 1 1 7 7 THR CB C 7 70.140 70.140 67.571 2.569 18832 2811 1 10 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.557 -0.117 18832 2812 1 10 . 1 1 8 8 LYS CA C 8 55.980 55.980 54.209 1.771 18832 2813 1 10 . 1 1 8 8 LYS CB C 8 35.050 35.050 34.460 0.590 18832 2814 1 10 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.222 0.358 18832 2815 1 10 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.947 -1.377 18832 2816 1 10 . 1 1 10 10 GLU CB C 10 30.780 30.780 29.393 1.387 18832 2817 1 10 . 1 1 11 11 GLU N N 11 122.500 122.500 124.754 -2.254 18832 2818 1 10 . 1 1 11 11 GLU HA H 11 4.340 4.340 3.876 0.464 18832 2819 1 10 . 1 1 11 11 GLU CA C 11 57.140 57.140 59.534 -2.394 18832 2820 1 10 . 1 1 11 11 GLU CB C 11 29.400 29.400 28.950 0.450 18832 2821 1 10 . 1 1 11 11 GLU H H 11 8.271 8.271 8.749 -0.478 18832 2822 1 10 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.148 0.232 18832 2823 1 10 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.511 -0.721 18832 2824 1 10 . 1 1 12 12 LYS CB C 12 33.600 33.600 35.303 -1.703 18832 2825 1 10 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.834 0.726 18832 2826 1 10 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.349 -0.489 18832 2827 1 10 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.335 3.105 18832 2828 1 10 . 1 1 14 14 GLY N N 14 105.320 105.320 106.353 -1.033 18832 2829 1 10 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.102 1.138 18832 2830 1 10 . 1 1 14 14 GLY H H 14 8.401 8.401 8.531 -0.130 18832 2831 1 10 . 1 1 15 15 VAL N N 15 118.900 118.900 118.747 0.153 18832 2832 1 10 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.838 0.503 18832 2833 1 10 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.822 -1.612 18832 2834 1 10 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.273 0.468 18832 2835 1 10 . 1 1 15 15 VAL H H 15 8.851 8.851 8.251 0.600 18832 2836 1 10 . 1 1 16 16 ALA N N 16 129.460 129.460 126.504 2.956 18832 2837 1 10 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.763 -0.763 18832 2838 1 10 . 1 1 16 16 ALA CA C 16 52.000 52.000 49.763 2.237 18832 2839 1 10 . 1 1 16 16 ALA CB C 16 19.330 19.330 22.079 -2.749 18832 2840 1 10 . 1 1 16 16 ALA H H 16 9.113 9.113 8.626 0.487 18832 2841 1 10 . 1 1 17 17 PHE N N 17 124.070 124.070 119.857 4.213 18832 2842 1 10 . 1 1 17 17 PHE HA H 17 4.801 4.801 5.162 -0.361 18832 2843 1 10 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.674 0.556 18832 2844 1 10 . 1 1 17 17 PHE CB C 17 40.000 40.000 39.052 0.948 18832 2845 1 10 . 1 1 17 17 PHE H H 17 8.787 8.787 8.250 0.537 18832 2846 1 10 . 1 1 18 18 TYR N N 18 118.210 118.210 122.827 -4.617 18832 2847 1 10 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.289 0.194 18832 2848 1 10 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.225 -1.925 18832 2849 1 10 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.949 0.861 18832 2850 1 10 . 1 1 18 18 TYR H H 18 7.281 7.281 7.862 -0.581 18832 2851 1 10 . 1 1 19 19 ASN N N 19 116.800 116.800 119.343 -2.543 18832 2852 1 10 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.882 -0.172 18832 2853 1 10 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.970 -0.030 18832 2854 1 10 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.553 0.507 18832 2855 1 10 . 1 1 19 19 ASN H H 19 8.134 8.134 8.385 -0.251 18832 2856 1 10 . 1 1 20 20 TYR N N 20 122.190 122.190 122.943 -0.753 18832 2857 1 10 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.654 0.033 18832 2858 1 10 . 1 1 20 20 TYR CA C 20 57.720 57.720 56.959 0.761 18832 2859 1 10 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.926 1.324 18832 2860 1 10 . 1 1 20 20 TYR H H 20 8.993 8.993 8.123 0.870 18832 2861 1 10 . 1 1 21 21 ASP N N 21 128.520 128.520 126.609 1.911 18832 2862 1 10 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.570 0.220 18832 2863 1 10 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.275 0.095 18832 2864 1 10 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.359 -2.229 18832 2865 1 10 . 1 1 21 21 ASP H H 21 7.838 7.838 8.130 -0.292 18832 2866 1 10 . 1 1 22 22 ALA N N 22 125.240 125.240 126.002 -0.762 18832 2867 1 10 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.030 0.021 18832 2868 1 10 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.574 0.366 18832 2869 1 10 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.308 1.142 18832 2870 1 10 . 1 1 22 22 ALA H H 22 8.103 8.103 8.446 -0.343 18832 2871 1 10 . 1 1 23 23 ARG N N 23 122.190 122.190 122.855 -0.665 18832 2872 1 10 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.199 0.147 18832 2873 1 10 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.960 -1.470 18832 2874 1 10 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.945 -0.245 18832 2875 1 10 . 1 1 23 23 ARG H H 23 8.887 8.887 8.690 0.197 18832 2876 1 10 . 1 1 24 24 GLY N N 24 105.320 105.320 104.980 0.340 18832 2877 1 10 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.027 -0.527 18832 2878 1 10 . 1 1 24 24 GLY H H 24 7.258 7.258 7.444 -0.186 18832 2879 1 10 . 1 1 25 25 ALA N N 25 122.190 122.190 121.224 0.966 18832 2880 1 10 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.266 -0.100 18832 2881 1 10 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.865 0.575 18832 2882 1 10 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.198 -0.428 18832 2883 1 10 . 1 1 25 25 ALA H H 25 8.627 8.627 8.427 0.200 18832 2884 1 10 . 1 1 26 26 ASP N N 26 114.690 114.690 115.917 -1.227 18832 2885 1 10 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.432 0.268 18832 2886 1 10 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.998 -2.128 18832 2887 1 10 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.267 -0.877 18832 2888 1 10 . 1 1 26 26 ASP H H 26 8.955 8.955 8.593 0.362 18832 2889 1 10 . 1 1 27 27 GLU N N 27 118.910 118.910 117.298 1.612 18832 2890 1 10 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.517 0.685 18832 2891 1 10 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.626 -0.696 18832 2892 1 10 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.144 0.737 18832 2893 1 10 . 1 1 27 27 GLU H H 27 7.537 7.537 7.477 0.060 18832 2894 1 10 . 1 1 28 28 LEU N N 28 121.490 121.490 121.464 0.026 18832 2895 1 10 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.740 0.016 18832 2896 1 10 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.572 -0.452 18832 2897 1 10 . 1 1 28 28 LEU CB C 28 44.500 44.500 46.379 -1.879 18832 2898 1 10 . 1 1 28 28 LEU H H 28 8.890 8.890 8.097 0.793 18832 2899 1 10 . 1 1 29 29 SER N N 29 115.870 115.870 121.374 -5.504 18832 2900 1 10 . 1 1 29 29 SER HA H 29 5.009 5.009 4.435 0.574 18832 2901 1 10 . 1 1 29 29 SER CA C 29 58.470 58.470 58.629 -0.159 18832 2902 1 10 . 1 1 29 29 SER CB C 29 63.690 63.690 63.195 0.495 18832 2903 1 10 . 1 1 29 29 SER H H 29 7.948 7.948 8.518 -0.570 18832 2904 1 10 . 1 1 30 30 LEU N N 30 121.260 121.260 127.081 -5.821 18832 2905 1 10 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.738 0.038 18832 2906 1 10 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.039 -1.099 18832 2907 1 10 . 1 1 30 30 LEU CB C 30 46.370 46.370 43.969 2.401 18832 2908 1 10 . 1 1 30 30 LEU H H 30 9.500 9.500 8.224 1.276 18832 2909 1 10 . 1 1 31 31 GLN N N 31 123.130 123.130 120.823 2.307 18832 2910 1 10 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.107 -0.042 18832 2911 1 10 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.679 -0.739 18832 2912 1 10 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.201 -1.011 18832 2913 1 10 . 1 1 31 31 GLN H H 31 9.147 9.147 8.619 0.528 18832 2914 1 10 . 1 1 32 32 ILE N N 32 120.790 120.790 123.136 -2.346 18832 2915 1 10 . 1 1 32 32 ILE HA H 32 3.032 3.032 3.996 -0.964 18832 2916 1 10 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.364 0.886 18832 2917 1 10 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.595 0.345 18832 2918 1 10 . 1 1 32 32 ILE H H 32 8.016 8.016 8.289 -0.273 18832 2919 1 10 . 1 1 33 33 GLY N N 33 115.870 115.870 115.755 0.115 18832 2920 1 10 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.675 -0.175 18832 2921 1 10 . 1 1 33 33 GLY H H 33 8.775 8.775 8.688 0.087 18832 2922 1 10 . 1 1 34 34 ASP N N 34 122.430 122.430 121.529 0.901 18832 2923 1 10 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.950 -0.316 18832 2924 1 10 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.890 1.970 18832 2925 1 10 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.667 -1.357 18832 2926 1 10 . 1 1 34 34 ASP H H 34 8.686 8.686 7.888 0.798 18832 2927 1 10 . 1 1 35 35 THR N N 35 117.980 117.980 117.690 0.290 18832 2928 1 10 . 1 1 35 35 THR HA H 35 5.154 5.154 5.191 -0.037 18832 2929 1 10 . 1 1 35 35 THR CA C 35 61.450 61.450 62.002 -0.552 18832 2930 1 10 . 1 1 35 35 THR CB C 35 69.090 69.090 70.143 -1.053 18832 2931 1 10 . 1 1 35 35 THR H H 35 8.392 8.392 8.486 -0.094 18832 2932 1 10 . 1 1 36 36 VAL N N 36 118.200 118.200 117.807 0.393 18832 2933 1 10 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.701 0.451 18832 2934 1 10 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.227 -2.317 18832 2935 1 10 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.589 -0.399 18832 2936 1 10 . 1 1 36 36 VAL H H 36 9.016 9.016 8.986 0.030 18832 2937 1 10 . 1 1 37 37 HIS N N 37 122.190 122.190 126.039 -3.849 18832 2938 1 10 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.963 -0.152 18832 2939 1 10 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.201 -0.641 18832 2940 1 10 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.931 0.329 18832 2941 1 10 . 1 1 37 37 HIS H H 37 8.491 8.491 8.832 -0.341 18832 2942 1 10 . 1 1 38 38 ILE N N 38 126.650 126.650 126.937 -0.287 18832 2943 1 10 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.237 -0.487 18832 2944 1 10 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.254 -0.614 18832 2945 1 10 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.988 0.892 18832 2946 1 10 . 1 1 38 38 ILE H H 38 8.638 8.638 8.912 -0.274 18832 2947 1 10 . 1 1 39 39 LEU N N 39 126.180 126.180 124.486 1.694 18832 2948 1 10 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.706 -0.326 18832 2949 1 10 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.564 -0.074 18832 2950 1 10 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.470 0.280 18832 2951 1 10 . 1 1 39 39 LEU H H 39 9.163 9.163 8.911 0.252 18832 2952 1 10 . 1 1 40 40 GLU N N 40 115.160 115.160 117.697 -2.537 18832 2953 1 10 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.819 0.201 18832 2954 1 10 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.132 -0.042 18832 2955 1 10 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.579 2.151 18832 2956 1 10 . 1 1 40 40 GLU H H 40 7.852 7.852 7.680 0.172 18832 2957 1 10 . 1 1 41 41 THR HA H 41 4.270 4.270 4.497 -0.227 18832 2958 1 10 . 1 1 41 41 THR CA C 41 61.250 61.250 61.377 -0.127 18832 2959 1 10 . 1 1 41 41 THR CB C 41 71.410 71.410 70.664 0.746 18832 2960 1 10 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.491 0.059 18832 2961 1 10 . 1 1 43 43 GLU N N 43 124.100 124.100 120.302 3.798 18832 2962 1 10 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.342 -0.602 18832 2963 1 10 . 1 1 43 43 GLU H H 43 8.590 8.590 8.097 0.493 18832 2964 1 10 . 1 1 44 44 GLY N N 44 110.789 110.789 112.610 -1.821 18832 2965 1 10 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.631 -0.191 18832 2966 1 10 . 1 1 44 44 GLY H H 44 8.432 8.432 8.511 -0.079 18832 2967 1 10 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.675 0.015 18832 2968 1 10 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.499 2.051 18832 2969 1 10 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.844 0.756 18832 2970 1 10 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.972 -0.912 18832 2971 1 10 . 1 1 46 46 TYR CB C 46 42.650 42.650 40.695 1.955 18832 2972 1 10 . 1 1 47 47 ARG N N 47 118.100 118.100 119.538 -1.438 18832 2973 1 10 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.058 0.036 18832 2974 1 10 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.133 -0.072 18832 2975 1 10 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.763 -0.513 18832 2976 1 10 . 1 1 47 47 ARG H H 47 8.492 8.492 8.415 0.077 18832 2977 1 10 . 1 1 48 48 GLY N N 48 114.000 114.000 109.451 4.549 18832 2978 1 10 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.203 0.357 18832 2979 1 10 . 1 1 48 48 GLY H H 48 9.183 9.183 8.707 0.476 18832 2980 1 10 . 1 1 49 49 TYR N N 49 116.100 116.100 115.373 0.727 18832 2981 1 10 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.122 0.251 18832 2982 1 10 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.563 -0.453 18832 2983 1 10 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.679 0.071 18832 2984 1 10 . 1 1 49 49 TYR H H 49 8.194 8.194 7.982 0.212 18832 2985 1 10 . 1 1 50 50 THR N N 50 112.350 112.350 115.090 -2.740 18832 2986 1 10 . 1 1 50 50 THR HA H 50 5.105 5.105 4.641 0.464 18832 2987 1 10 . 1 1 50 50 THR CA C 50 59.770 59.770 61.309 -1.539 18832 2988 1 10 . 1 1 50 50 THR CB C 50 69.460 69.460 69.775 -0.315 18832 2989 1 10 . 1 1 50 50 THR H H 50 9.441 9.441 8.832 0.609 18832 2990 1 10 . 1 1 51 51 LEU N N 51 121.260 121.260 121.924 -0.664 18832 2991 1 10 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.079 0.157 18832 2992 1 10 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.916 -0.126 18832 2993 1 10 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.139 -1.139 18832 2994 1 10 . 1 1 51 51 LEU H H 51 8.310 8.310 8.244 0.066 18832 2995 1 10 . 1 1 52 52 ARG N N 52 116.570 116.570 117.753 -1.183 18832 2996 1 10 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.127 0.123 18832 2997 1 10 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.471 -1.121 18832 2998 1 10 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.681 -0.171 18832 2999 1 10 . 1 1 52 52 ARG H H 52 8.047 8.047 8.340 -0.293 18832 3000 1 10 . 1 1 53 53 LYS N N 53 122.660 122.660 117.823 4.837 18832 3001 1 10 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.545 0.071 18832 3002 1 10 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.391 -0.770 18832 3003 1 10 . 1 1 53 53 LYS CB C 53 32.860 32.860 32.376 0.484 18832 3004 1 10 . 1 1 53 53 LYS H H 53 7.649 7.649 7.857 -0.208 18832 3005 1 10 . 1 1 54 54 LYS N N 54 125.010 125.010 122.000 3.010 18832 3006 1 10 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.308 -0.218 18832 3007 1 10 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.276 0.194 18832 3008 1 10 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.406 -0.276 18832 3009 1 10 . 1 1 54 54 LYS H H 54 8.496 8.496 8.649 -0.153 18832 3010 1 10 . 1 1 55 55 SER N N 55 110.240 110.240 113.656 -3.416 18832 3011 1 10 . 1 1 55 55 SER HA H 55 4.122 4.122 4.186 -0.064 18832 3012 1 10 . 1 1 55 55 SER CA C 55 58.960 58.960 60.048 -1.088 18832 3013 1 10 . 1 1 55 55 SER CB C 55 63.310 63.310 63.517 -0.206 18832 3014 1 10 . 1 1 55 55 SER H H 55 7.857 7.857 8.239 -0.382 18832 3015 1 10 . 1 1 56 56 LYS N N 56 124.070 124.070 121.231 2.839 18832 3016 1 10 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.361 0.307 18832 3017 1 10 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.911 -1.101 18832 3018 1 10 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.491 -0.241 18832 3019 1 10 . 1 1 56 56 LYS H H 56 7.473 7.473 7.588 -0.115 18832 3020 1 10 . 1 1 57 57 LYS N N 57 125.940 125.940 120.107 5.833 18832 3021 1 10 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.863 0.478 18832 3022 1 10 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.907 -0.287 18832 3023 1 10 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.360 -2.120 18832 3024 1 10 . 1 1 57 57 LYS H H 57 8.474 8.474 8.174 0.300 18832 3025 1 10 . 1 1 58 58 GLY N N 58 109.540 109.540 107.128 2.412 18832 3026 1 10 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.465 0.155 18832 3027 1 10 . 1 1 58 58 GLY H H 58 9.075 9.075 8.471 0.604 18832 3028 1 10 . 1 1 59 59 ILE N N 59 113.900 113.900 115.356 -1.456 18832 3029 1 10 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.254 0.746 18832 3030 1 10 . 1 1 59 59 ILE CA C 59 59.590 59.590 57.960 1.630 18832 3031 1 10 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.193 -0.053 18832 3032 1 10 . 1 1 59 59 ILE H H 59 8.628 8.628 7.669 0.959 18832 3033 1 10 . 1 1 60 60 PHE N N 60 117.040 117.040 116.020 1.020 18832 3034 1 10 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.505 -0.385 18832 3035 1 10 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.015 -0.955 18832 3036 1 10 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.893 -2.703 18832 3037 1 10 . 1 1 60 60 PHE H H 60 8.724 8.724 8.147 0.577 18832 3038 1 10 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.700 -1.220 18832 3039 1 10 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.231 -0.031 18832 3040 1 10 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.349 -1.159 18832 3041 1 10 . 1 1 62 62 ALA N N 62 124.770 124.770 127.506 -2.736 18832 3042 1 10 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.992 -0.282 18832 3043 1 10 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.319 0.051 18832 3044 1 10 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.195 -0.545 18832 3045 1 10 . 1 1 62 62 ALA H H 62 7.898 7.898 8.157 -0.259 18832 3046 1 10 . 1 1 63 63 SER N N 63 109.700 109.700 114.780 -5.080 18832 3047 1 10 . 1 1 63 63 SER HA H 63 4.200 4.200 4.196 0.004 18832 3048 1 10 . 1 1 63 63 SER CA C 63 59.400 59.400 60.345 -0.945 18832 3049 1 10 . 1 1 63 63 SER CB C 63 62.380 62.380 62.909 -0.529 18832 3050 1 10 . 1 1 63 63 SER H H 63 8.030 8.030 8.385 -0.355 18832 3051 1 10 . 1 1 64 64 TYR N N 64 120.300 120.300 113.151 7.149 18832 3052 1 10 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.453 -0.203 18832 3053 1 10 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.780 2.940 18832 3054 1 10 . 1 1 64 64 TYR CB C 64 37.560 37.560 36.984 0.576 18832 3055 1 10 . 1 1 64 64 TYR H H 64 7.128 7.128 7.087 0.041 18832 3056 1 10 . 1 1 65 65 ILE N N 65 118.000 118.000 121.010 -3.010 18832 3057 1 10 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.972 -0.162 18832 3058 1 10 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.284 -2.304 18832 3059 1 10 . 1 1 65 65 ILE CB C 65 39.630 39.630 40.237 -0.607 18832 3060 1 10 . 1 1 65 65 ILE H H 65 7.671 7.671 7.644 0.027 18832 3061 1 10 . 1 1 66 66 HIS N N 66 124.300 124.300 126.887 -2.587 18832 3062 1 10 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.908 0.222 18832 3063 1 10 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.524 -1.464 18832 3064 1 10 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.650 -2.140 18832 3065 1 10 . 1 1 66 66 HIS H H 66 9.159 9.159 8.672 0.487 18832 3066 1 10 . 1 1 67 67 LEU N N 67 127.580 127.580 128.369 -0.789 18832 3067 1 10 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.378 0.192 18832 3068 1 10 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.766 -0.466 18832 3069 1 10 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.021 1.039 18832 3070 1 10 . 1 1 67 67 LEU H H 67 8.992 8.992 8.652 0.340 18832 3071 1 10 . 1 1 68 68 LYS N N 68 121.900 121.900 126.084 -4.184 18832 3072 1 10 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.811 -0.321 18832 3073 1 10 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.440 0.670 18832 3074 1 10 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.570 0.040 18832 3075 1 10 . 1 1 68 68 LYS H H 68 8.499 8.499 8.200 0.299 18832 3076 1 10 . 1 1 69 69 GLU N N 69 122.190 122.190 120.497 1.693 18832 3077 1 10 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.148 0.132 18832 3078 1 10 . 1 1 69 69 GLU CA C 69 56.610 56.610 58.635 -2.025 18832 3079 1 10 . 1 1 69 69 GLU CB C 69 30.330 30.330 30.337 -0.007 18832 3080 1 10 . 1 1 69 69 GLU H H 69 8.569 8.569 8.714 -0.145 18832 3081 1 10 . 1 1 70 70 ALA N N 70 123.370 123.370 119.809 3.561 18832 3082 1 10 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.474 -0.274 18832 3083 1 10 . 1 1 70 70 ALA CA C 70 51.810 51.810 51.973 -0.163 18832 3084 1 10 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.718 0.982 18832 3085 1 10 . 1 1 70 70 ALA H H 70 8.181 8.181 7.855 0.326 18832 3086 1 10 . 1 1 71 71 ILE N N 71 120.080 120.080 120.908 -0.828 18832 3087 1 10 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.614 -0.544 18832 3088 1 10 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.619 -0.289 18832 3089 1 10 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.792 -0.102 18832 3090 1 10 . 1 1 71 71 ILE H H 71 7.776 7.776 8.304 -0.528 18832 3091 1 10 . 1 1 72 72 VAL N N 72 124.540 124.540 124.559 -0.019 18832 3092 1 10 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.295 -0.225 18832 3093 1 10 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.269 -0.629 18832 3094 1 10 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.333 0.357 18832 3095 1 10 . 1 1 72 72 VAL H H 72 8.089 8.089 8.518 -0.429 18832 3096 1 10 . 1 1 73 73 GLU N N 73 125.940 125.940 128.539 -2.599 18832 3097 1 10 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.268 0.012 18832 3098 1 10 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.198 0.412 18832 3099 1 10 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.596 1.113 18832 3100 1 10 . 1 1 73 73 GLU H H 73 8.464 8.464 8.784 -0.320 18832 3101 1 11 . 1 1 2 2 THR N N 2 116.400 116.400 115.282 1.118 18832 3102 1 11 . 1 1 2 2 THR HA H 2 4.120 4.120 4.646 -0.526 18832 3103 1 11 . 1 1 2 2 THR CA C 2 62.100 62.100 61.639 0.461 18832 3104 1 11 . 1 1 2 2 THR CB C 2 69.440 69.440 69.871 -0.431 18832 3105 1 11 . 1 1 2 2 THR H H 2 8.150 8.150 8.283 -0.133 18832 3106 1 11 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.684 -0.374 18832 3107 1 11 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.972 -0.223 18832 3108 1 11 . 1 1 3 3 ARG CB C 3 30.620 30.620 29.044 1.575 18832 3109 1 11 . 1 1 4 4 TRP N N 4 123.300 123.300 123.611 -0.311 18832 3110 1 11 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.672 -0.192 18832 3111 1 11 . 1 1 4 4 TRP CA C 4 57.560 57.560 57.996 -0.436 18832 3112 1 11 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.397 -0.907 18832 3113 1 11 . 1 1 4 4 TRP H H 4 8.108 8.108 8.228 -0.120 18832 3114 1 11 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.304 0.266 18832 3115 1 11 . 1 1 5 5 VAL CB C 5 30.840 30.840 33.675 -2.835 18832 3116 1 11 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.453 0.357 18832 3117 1 11 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.670 -0.461 18832 3118 1 11 . 1 1 7 7 THR HA H 7 4.270 4.270 3.924 0.346 18832 3119 1 11 . 1 1 7 7 THR CA C 7 60.890 60.890 63.611 -2.721 18832 3120 1 11 . 1 1 7 7 THR CB C 7 70.140 70.140 69.033 1.107 18832 3121 1 11 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.346 0.094 18832 3122 1 11 . 1 1 8 8 LYS CA C 8 55.980 55.980 54.992 0.987 18832 3123 1 11 . 1 1 8 8 LYS CB C 8 35.050 35.050 34.710 0.340 18832 3124 1 11 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.303 0.277 18832 3125 1 11 . 1 1 10 10 GLU CA C 10 55.570 55.570 55.386 0.183 18832 3126 1 11 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.857 -0.077 18832 3127 1 11 . 1 1 11 11 GLU N N 11 122.500 122.500 120.258 2.242 18832 3128 1 11 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.304 0.036 18832 3129 1 11 . 1 1 11 11 GLU CA C 11 57.140 57.140 56.586 0.554 18832 3130 1 11 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.498 -1.098 18832 3131 1 11 . 1 1 11 11 GLU H H 11 8.271 8.271 8.534 -0.263 18832 3132 1 11 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.189 0.191 18832 3133 1 11 . 1 1 12 12 LYS CA C 12 55.790 55.790 58.095 -2.305 18832 3134 1 11 . 1 1 12 12 LYS CB C 12 33.600 33.600 33.505 0.095 18832 3135 1 11 . 1 1 13 13 TYR HA H 13 5.560 5.560 5.147 0.413 18832 3136 1 11 . 1 1 13 13 TYR CA C 13 55.860 55.860 54.985 0.875 18832 3137 1 11 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.233 1.207 18832 3138 1 11 . 1 1 14 14 GLY N N 14 105.320 105.320 106.832 -1.512 18832 3139 1 11 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.208 1.032 18832 3140 1 11 . 1 1 14 14 GLY H H 14 8.401 8.401 9.012 -0.611 18832 3141 1 11 . 1 1 15 15 VAL N N 15 118.900 118.900 118.641 0.259 18832 3142 1 11 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.706 0.635 18832 3143 1 11 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.403 -1.193 18832 3144 1 11 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.383 -0.643 18832 3145 1 11 . 1 1 15 15 VAL H H 15 8.851 8.851 8.793 0.058 18832 3146 1 11 . 1 1 16 16 ALA N N 16 129.460 129.460 126.098 3.362 18832 3147 1 11 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.142 -0.142 18832 3148 1 11 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.124 1.875 18832 3149 1 11 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.897 -1.567 18832 3150 1 11 . 1 1 16 16 ALA H H 16 9.113 9.113 8.598 0.515 18832 3151 1 11 . 1 1 17 17 PHE N N 17 124.070 124.070 120.449 3.621 18832 3152 1 11 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.878 -0.077 18832 3153 1 11 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.107 0.123 18832 3154 1 11 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.588 1.412 18832 3155 1 11 . 1 1 17 17 PHE H H 17 8.787 8.787 7.638 1.149 18832 3156 1 11 . 1 1 18 18 TYR N N 18 118.210 118.210 123.528 -5.318 18832 3157 1 11 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.356 0.127 18832 3158 1 11 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.380 -2.080 18832 3159 1 11 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.121 0.689 18832 3160 1 11 . 1 1 18 18 TYR H H 18 7.281 7.281 7.671 -0.390 18832 3161 1 11 . 1 1 19 19 ASN N N 19 116.800 116.800 119.083 -2.283 18832 3162 1 11 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.818 -0.108 18832 3163 1 11 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.659 0.281 18832 3164 1 11 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.282 0.778 18832 3165 1 11 . 1 1 19 19 ASN H H 19 8.134 8.134 8.321 -0.187 18832 3166 1 11 . 1 1 20 20 TYR N N 20 122.190 122.190 122.110 0.080 18832 3167 1 11 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.456 0.231 18832 3168 1 11 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.892 -1.172 18832 3169 1 11 . 1 1 20 20 TYR CB C 20 42.250 42.250 39.871 2.379 18832 3170 1 11 . 1 1 20 20 TYR H H 20 8.993 8.993 7.922 1.071 18832 3171 1 11 . 1 1 21 21 ASP N N 21 128.520 128.520 127.523 0.997 18832 3172 1 11 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.847 -0.057 18832 3173 1 11 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.062 0.308 18832 3174 1 11 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.223 -1.093 18832 3175 1 11 . 1 1 21 21 ASP H H 21 7.838 7.838 8.268 -0.430 18832 3176 1 11 . 1 1 22 22 ALA N N 22 125.240 125.240 126.115 -0.875 18832 3177 1 11 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.608 -0.557 18832 3178 1 11 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.310 -0.370 18832 3179 1 11 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.696 0.754 18832 3180 1 11 . 1 1 22 22 ALA H H 22 8.103 8.103 8.488 -0.385 18832 3181 1 11 . 1 1 23 23 ARG N N 23 122.190 122.190 123.321 -1.131 18832 3182 1 11 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.546 -0.200 18832 3183 1 11 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.781 -0.291 18832 3184 1 11 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.331 0.369 18832 3185 1 11 . 1 1 23 23 ARG H H 23 8.887 8.887 8.846 0.041 18832 3186 1 11 . 1 1 24 24 GLY N N 24 105.320 105.320 106.308 -0.988 18832 3187 1 11 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.581 -1.081 18832 3188 1 11 . 1 1 24 24 GLY H H 24 7.258 7.258 7.654 -0.396 18832 3189 1 11 . 1 1 25 25 ALA N N 25 122.190 122.190 121.826 0.364 18832 3190 1 11 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.247 -0.081 18832 3191 1 11 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.902 0.538 18832 3192 1 11 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.163 -0.393 18832 3193 1 11 . 1 1 25 25 ALA H H 25 8.627 8.627 8.468 0.159 18832 3194 1 11 . 1 1 26 26 ASP N N 26 114.690 114.690 115.825 -1.135 18832 3195 1 11 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.501 0.199 18832 3196 1 11 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.605 -1.735 18832 3197 1 11 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.094 -0.704 18832 3198 1 11 . 1 1 26 26 ASP H H 26 8.955 8.955 8.538 0.417 18832 3199 1 11 . 1 1 27 27 GLU N N 27 118.910 118.910 116.569 2.341 18832 3200 1 11 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.606 0.596 18832 3201 1 11 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.461 -0.531 18832 3202 1 11 . 1 1 27 27 GLU CB C 27 32.880 32.880 33.197 -0.317 18832 3203 1 11 . 1 1 27 27 GLU H H 27 7.537 7.537 7.448 0.089 18832 3204 1 11 . 1 1 28 28 LEU N N 28 121.490 121.490 124.915 -3.425 18832 3205 1 11 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.684 0.072 18832 3206 1 11 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.938 -0.818 18832 3207 1 11 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.421 0.079 18832 3208 1 11 . 1 1 28 28 LEU H H 28 8.890 8.890 8.446 0.444 18832 3209 1 11 . 1 1 29 29 SER N N 29 115.870 115.870 119.415 -3.545 18832 3210 1 11 . 1 1 29 29 SER HA H 29 5.009 5.009 4.694 0.315 18832 3211 1 11 . 1 1 29 29 SER CA C 29 58.470 58.470 58.526 -0.056 18832 3212 1 11 . 1 1 29 29 SER CB C 29 63.690 63.690 64.235 -0.545 18832 3213 1 11 . 1 1 29 29 SER H H 29 7.948 7.948 8.401 -0.453 18832 3214 1 11 . 1 1 30 30 LEU N N 30 121.260 121.260 123.465 -2.205 18832 3215 1 11 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.693 0.083 18832 3216 1 11 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.229 -1.289 18832 3217 1 11 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.574 0.796 18832 3218 1 11 . 1 1 30 30 LEU H H 30 9.500 9.500 8.015 1.485 18832 3219 1 11 . 1 1 31 31 GLN N N 31 123.130 123.130 119.811 3.319 18832 3220 1 11 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.008 0.057 18832 3221 1 11 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.916 -0.976 18832 3222 1 11 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.725 -1.535 18832 3223 1 11 . 1 1 31 31 GLN H H 31 9.147 9.147 8.434 0.713 18832 3224 1 11 . 1 1 32 32 ILE N N 32 120.790 120.790 119.876 0.914 18832 3225 1 11 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.186 -1.154 18832 3226 1 11 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.340 0.910 18832 3227 1 11 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.770 0.170 18832 3228 1 11 . 1 1 32 32 ILE H H 32 8.016 8.016 8.416 -0.400 18832 3229 1 11 . 1 1 33 33 GLY N N 33 115.870 115.870 115.096 0.774 18832 3230 1 11 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.762 -0.262 18832 3231 1 11 . 1 1 33 33 GLY H H 33 8.775 8.775 8.963 -0.189 18832 3232 1 11 . 1 1 34 34 ASP N N 34 122.430 122.430 122.066 0.364 18832 3233 1 11 . 1 1 34 34 ASP HA H 34 4.634 4.634 5.004 -0.370 18832 3234 1 11 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.520 2.340 18832 3235 1 11 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.361 -1.052 18832 3236 1 11 . 1 1 34 34 ASP H H 34 8.686 8.686 7.803 0.883 18832 3237 1 11 . 1 1 35 35 THR N N 35 117.980 117.980 115.474 2.506 18832 3238 1 11 . 1 1 35 35 THR HA H 35 5.154 5.154 4.959 0.195 18832 3239 1 11 . 1 1 35 35 THR CA C 35 61.450 61.450 61.766 -0.316 18832 3240 1 11 . 1 1 35 35 THR CB C 35 69.090 69.090 70.338 -1.248 18832 3241 1 11 . 1 1 35 35 THR H H 35 8.392 8.392 8.356 0.036 18832 3242 1 11 . 1 1 36 36 VAL N N 36 118.200 118.200 116.180 2.020 18832 3243 1 11 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.502 0.650 18832 3244 1 11 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.441 -2.531 18832 3245 1 11 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.608 -0.418 18832 3246 1 11 . 1 1 36 36 VAL H H 36 9.016 9.016 8.749 0.267 18832 3247 1 11 . 1 1 37 37 HIS N N 37 122.190 122.190 126.133 -3.943 18832 3248 1 11 . 1 1 37 37 HIS HA H 37 4.811 4.811 5.035 -0.224 18832 3249 1 11 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.792 -1.232 18832 3250 1 11 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.555 0.705 18832 3251 1 11 . 1 1 37 37 HIS H H 37 8.491 8.491 8.973 -0.482 18832 3252 1 11 . 1 1 38 38 ILE N N 38 126.650 126.650 126.775 -0.125 18832 3253 1 11 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.072 -0.322 18832 3254 1 11 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.866 -0.226 18832 3255 1 11 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.172 0.708 18832 3256 1 11 . 1 1 38 38 ILE H H 38 8.638 8.638 8.398 0.240 18832 3257 1 11 . 1 1 39 39 LEU N N 39 126.180 126.180 123.217 2.963 18832 3258 1 11 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.601 -0.222 18832 3259 1 11 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.120 0.370 18832 3260 1 11 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.105 0.645 18832 3261 1 11 . 1 1 39 39 LEU H H 39 9.163 9.163 8.589 0.574 18832 3262 1 11 . 1 1 40 40 GLU N N 40 115.160 115.160 119.703 -4.543 18832 3263 1 11 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.596 0.424 18832 3264 1 11 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.426 -0.336 18832 3265 1 11 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.681 2.049 18832 3266 1 11 . 1 1 40 40 GLU H H 40 7.852 7.852 7.779 0.073 18832 3267 1 11 . 1 1 41 41 THR HA H 41 4.270 4.270 4.490 -0.220 18832 3268 1 11 . 1 1 41 41 THR CA C 41 61.250 61.250 60.143 1.107 18832 3269 1 11 . 1 1 41 41 THR CB C 41 71.410 71.410 70.268 1.142 18832 3270 1 11 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.186 0.364 18832 3271 1 11 . 1 1 43 43 GLU N N 43 124.100 124.100 118.423 5.677 18832 3272 1 11 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.112 -0.372 18832 3273 1 11 . 1 1 43 43 GLU H H 43 8.590 8.590 8.553 0.037 18832 3274 1 11 . 1 1 44 44 GLY N N 44 110.789 110.789 110.538 0.251 18832 3275 1 11 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.133 0.307 18832 3276 1 11 . 1 1 44 44 GLY H H 44 8.432 8.432 8.590 -0.158 18832 3277 1 11 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.562 0.128 18832 3278 1 11 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.471 1.079 18832 3279 1 11 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.800 0.800 18832 3280 1 11 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.909 -0.849 18832 3281 1 11 . 1 1 46 46 TYR CB C 46 42.650 42.650 40.943 1.707 18832 3282 1 11 . 1 1 47 47 ARG N N 47 118.100 118.100 121.229 -3.129 18832 3283 1 11 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.812 0.282 18832 3284 1 11 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.388 -0.328 18832 3285 1 11 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.836 -0.586 18832 3286 1 11 . 1 1 47 47 ARG H H 47 8.492 8.492 8.932 -0.440 18832 3287 1 11 . 1 1 48 48 GLY N N 48 114.000 114.000 110.762 3.238 18832 3288 1 11 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.002 0.558 18832 3289 1 11 . 1 1 48 48 GLY H H 48 9.183 9.183 8.861 0.322 18832 3290 1 11 . 1 1 49 49 TYR N N 49 116.100 116.100 115.389 0.711 18832 3291 1 11 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.128 0.245 18832 3292 1 11 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.936 -0.826 18832 3293 1 11 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.439 0.311 18832 3294 1 11 . 1 1 49 49 TYR H H 49 8.194 8.194 8.116 0.078 18832 3295 1 11 . 1 1 50 50 THR N N 50 112.350 112.350 113.844 -1.494 18832 3296 1 11 . 1 1 50 50 THR HA H 50 5.105 5.105 4.581 0.524 18832 3297 1 11 . 1 1 50 50 THR CA C 50 59.770 59.770 60.289 -0.519 18832 3298 1 11 . 1 1 50 50 THR CB C 50 69.460 69.460 69.861 -0.401 18832 3299 1 11 . 1 1 50 50 THR H H 50 9.441 9.441 8.864 0.577 18832 3300 1 11 . 1 1 51 51 LEU N N 51 121.260 121.260 121.871 -0.611 18832 3301 1 11 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.049 0.187 18832 3302 1 11 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.382 -0.592 18832 3303 1 11 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.416 -1.416 18832 3304 1 11 . 1 1 51 51 LEU H H 51 8.310 8.310 8.266 0.044 18832 3305 1 11 . 1 1 52 52 ARG N N 52 116.570 116.570 117.647 -1.077 18832 3306 1 11 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.139 0.111 18832 3307 1 11 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.662 -1.312 18832 3308 1 11 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.448 0.062 18832 3309 1 11 . 1 1 52 52 ARG H H 52 8.047 8.047 8.452 -0.405 18832 3310 1 11 . 1 1 53 53 LYS N N 53 122.660 122.660 119.104 3.556 18832 3311 1 11 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.614 0.002 18832 3312 1 11 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.658 -1.038 18832 3313 1 11 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.366 1.494 18832 3314 1 11 . 1 1 53 53 LYS H H 53 7.649 7.649 7.846 -0.197 18832 3315 1 11 . 1 1 54 54 LYS N N 54 125.010 125.010 121.984 3.026 18832 3316 1 11 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.223 -0.133 18832 3317 1 11 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.760 -0.290 18832 3318 1 11 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.367 -0.237 18832 3319 1 11 . 1 1 54 54 LYS H H 54 8.496 8.496 8.238 0.258 18832 3320 1 11 . 1 1 55 55 SER N N 55 110.240 110.240 115.407 -5.167 18832 3321 1 11 . 1 1 55 55 SER HA H 55 4.122 4.122 4.164 -0.042 18832 3322 1 11 . 1 1 55 55 SER CA C 55 58.960 58.960 60.196 -1.236 18832 3323 1 11 . 1 1 55 55 SER CB C 55 63.310 63.310 63.244 0.066 18832 3324 1 11 . 1 1 55 55 SER H H 55 7.857 7.857 8.369 -0.512 18832 3325 1 11 . 1 1 56 56 LYS N N 56 124.070 124.070 121.281 2.789 18832 3326 1 11 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.288 0.380 18832 3327 1 11 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.434 -1.625 18832 3328 1 11 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.297 -0.048 18832 3329 1 11 . 1 1 56 56 LYS H H 56 7.473 7.473 7.721 -0.248 18832 3330 1 11 . 1 1 57 57 LYS N N 57 125.940 125.940 122.198 3.742 18832 3331 1 11 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.815 0.526 18832 3332 1 11 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.228 -0.608 18832 3333 1 11 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.513 -2.273 18832 3334 1 11 . 1 1 57 57 LYS H H 57 8.474 8.474 8.271 0.203 18832 3335 1 11 . 1 1 58 58 GLY N N 58 109.540 109.540 109.074 0.466 18832 3336 1 11 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.078 0.542 18832 3337 1 11 . 1 1 58 58 GLY H H 58 9.075 9.075 8.995 0.080 18832 3338 1 11 . 1 1 59 59 ILE N N 59 113.900 113.900 115.606 -1.706 18832 3339 1 11 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.990 1.010 18832 3340 1 11 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.510 1.080 18832 3341 1 11 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.673 0.467 18832 3342 1 11 . 1 1 59 59 ILE H H 59 8.628 8.628 8.093 0.535 18832 3343 1 11 . 1 1 60 60 PHE N N 60 117.040 117.040 117.382 -0.342 18832 3344 1 11 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.339 -0.219 18832 3345 1 11 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.737 -0.677 18832 3346 1 11 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.027 -2.837 18832 3347 1 11 . 1 1 60 60 PHE H H 60 8.724 8.724 8.542 0.182 18832 3348 1 11 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.619 -1.139 18832 3349 1 11 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.270 -0.070 18832 3350 1 11 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.592 -1.402 18832 3351 1 11 . 1 1 62 62 ALA N N 62 124.770 124.770 125.595 -0.825 18832 3352 1 11 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.984 -0.274 18832 3353 1 11 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.410 -0.040 18832 3354 1 11 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.040 -0.390 18832 3355 1 11 . 1 1 62 62 ALA H H 62 7.898 7.898 8.332 -0.434 18832 3356 1 11 . 1 1 63 63 SER N N 63 109.700 109.700 113.609 -3.909 18832 3357 1 11 . 1 1 63 63 SER HA H 63 4.200 4.200 4.218 -0.018 18832 3358 1 11 . 1 1 63 63 SER CA C 63 59.400 59.400 60.217 -0.817 18832 3359 1 11 . 1 1 63 63 SER CB C 63 62.380 62.380 63.012 -0.632 18832 3360 1 11 . 1 1 63 63 SER H H 63 8.030 8.030 8.181 -0.151 18832 3361 1 11 . 1 1 64 64 TYR N N 64 120.300 120.300 114.768 5.532 18832 3362 1 11 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.630 -0.380 18832 3363 1 11 . 1 1 64 64 TYR CA C 64 57.720 57.720 55.378 2.342 18832 3364 1 11 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.131 -0.571 18832 3365 1 11 . 1 1 64 64 TYR H H 64 7.128 7.128 6.825 0.303 18832 3366 1 11 . 1 1 65 65 ILE N N 65 118.000 118.000 121.345 -3.345 18832 3367 1 11 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.739 0.071 18832 3368 1 11 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.297 -2.317 18832 3369 1 11 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.863 0.767 18832 3370 1 11 . 1 1 65 65 ILE H H 65 7.671 7.671 7.435 0.236 18832 3371 1 11 . 1 1 66 66 HIS N N 66 124.300 124.300 126.995 -2.695 18832 3372 1 11 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.987 0.143 18832 3373 1 11 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.776 -1.716 18832 3374 1 11 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.853 -2.343 18832 3375 1 11 . 1 1 66 66 HIS H H 66 9.159 9.159 8.769 0.390 18832 3376 1 11 . 1 1 67 67 LEU N N 67 127.580 127.580 127.234 0.346 18832 3377 1 11 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.261 0.309 18832 3378 1 11 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.119 -0.819 18832 3379 1 11 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.193 -0.133 18832 3380 1 11 . 1 1 67 67 LEU H H 67 8.992 8.992 8.595 0.397 18832 3381 1 11 . 1 1 68 68 LYS N N 68 121.900 121.900 121.866 0.034 18832 3382 1 11 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.716 -0.226 18832 3383 1 11 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.467 0.643 18832 3384 1 11 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.913 -0.302 18832 3385 1 11 . 1 1 68 68 LYS H H 68 8.499 8.499 8.329 0.170 18832 3386 1 11 . 1 1 69 69 GLU N N 69 122.190 122.190 120.664 1.526 18832 3387 1 11 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.232 0.048 18832 3388 1 11 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.992 0.618 18832 3389 1 11 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.625 0.705 18832 3390 1 11 . 1 1 69 69 GLU H H 69 8.569 8.569 8.677 -0.108 18832 3391 1 11 . 1 1 70 70 ALA N N 70 123.370 123.370 128.450 -5.080 18832 3392 1 11 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.252 -0.052 18832 3393 1 11 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.565 -0.755 18832 3394 1 11 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.089 0.611 18832 3395 1 11 . 1 1 70 70 ALA H H 70 8.181 8.181 8.069 0.112 18832 3396 1 11 . 1 1 71 71 ILE N N 71 120.080 120.080 121.250 -1.170 18832 3397 1 11 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.559 -0.489 18832 3398 1 11 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.972 -0.642 18832 3399 1 11 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.040 -0.350 18832 3400 1 11 . 1 1 71 71 ILE H H 71 7.776 7.776 8.284 -0.508 18832 3401 1 11 . 1 1 72 72 VAL N N 72 124.540 124.540 125.951 -1.411 18832 3402 1 11 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.378 -0.308 18832 3403 1 11 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.081 0.559 18832 3404 1 11 . 1 1 72 72 VAL CB C 72 32.690 32.690 35.488 -2.798 18832 3405 1 11 . 1 1 72 72 VAL H H 72 8.089 8.089 8.304 -0.215 18832 3406 1 11 . 1 1 73 73 GLU N N 73 125.940 125.940 125.348 0.592 18832 3407 1 11 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.325 -0.045 18832 3408 1 11 . 1 1 73 73 GLU CA C 73 56.610 56.610 57.279 -0.669 18832 3409 1 11 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.901 0.809 18832 3410 1 11 . 1 1 73 73 GLU H H 73 8.464 8.464 8.600 -0.136 18832 3411 1 12 . 1 1 2 2 THR N N 2 116.400 116.400 114.651 1.749 18832 3412 1 12 . 1 1 2 2 THR HA H 2 4.120 4.120 4.630 -0.510 18832 3413 1 12 . 1 1 2 2 THR CA C 2 62.100 62.100 61.652 0.448 18832 3414 1 12 . 1 1 2 2 THR CB C 2 69.440 69.440 69.123 0.317 18832 3415 1 12 . 1 1 2 2 THR H H 2 8.150 8.150 8.055 0.095 18832 3416 1 12 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.594 -0.284 18832 3417 1 12 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.863 -0.113 18832 3418 1 12 . 1 1 3 3 ARG CB C 3 30.620 30.620 28.979 1.641 18832 3419 1 12 . 1 1 4 4 TRP N N 4 123.300 123.300 120.744 2.556 18832 3420 1 12 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.783 -0.303 18832 3421 1 12 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.974 0.586 18832 3422 1 12 . 1 1 4 4 TRP CB C 4 29.490 29.490 31.190 -1.700 18832 3423 1 12 . 1 1 4 4 TRP H H 4 8.108 8.108 7.712 0.396 18832 3424 1 12 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.489 0.081 18832 3425 1 12 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.806 -1.966 18832 3426 1 12 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.560 0.250 18832 3427 1 12 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.162 0.048 18832 3428 1 12 . 1 1 7 7 THR HA H 7 4.270 4.270 4.176 0.094 18832 3429 1 12 . 1 1 7 7 THR CA C 7 60.890 60.890 60.606 0.284 18832 3430 1 12 . 1 1 7 7 THR CB C 7 70.140 70.140 67.132 3.008 18832 3431 1 12 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.202 0.238 18832 3432 1 12 . 1 1 8 8 LYS CA C 8 55.980 55.980 56.128 -0.148 18832 3433 1 12 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.012 2.038 18832 3434 1 12 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.394 0.186 18832 3435 1 12 . 1 1 10 10 GLU CA C 10 55.570 55.570 54.968 0.602 18832 3436 1 12 . 1 1 10 10 GLU CB C 10 30.780 30.780 31.719 -0.939 18832 3437 1 12 . 1 1 11 11 GLU N N 11 122.500 122.500 120.395 2.105 18832 3438 1 12 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.441 -0.101 18832 3439 1 12 . 1 1 11 11 GLU CA C 11 57.140 57.140 56.987 0.152 18832 3440 1 12 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.702 -1.302 18832 3441 1 12 . 1 1 11 11 GLU H H 11 8.271 8.271 8.745 -0.474 18832 3442 1 12 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.396 -0.016 18832 3443 1 12 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.286 -0.496 18832 3444 1 12 . 1 1 12 12 LYS CB C 12 33.600 33.600 34.880 -1.280 18832 3445 1 12 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.553 1.007 18832 3446 1 12 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.767 0.093 18832 3447 1 12 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.616 2.824 18832 3448 1 12 . 1 1 14 14 GLY N N 14 105.320 105.320 105.712 -0.392 18832 3449 1 12 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.962 1.278 18832 3450 1 12 . 1 1 14 14 GLY H H 14 8.401 8.401 8.851 -0.450 18832 3451 1 12 . 1 1 15 15 VAL N N 15 118.900 118.900 118.440 0.460 18832 3452 1 12 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.522 0.819 18832 3453 1 12 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.798 -1.588 18832 3454 1 12 . 1 1 15 15 VAL CB C 15 35.740 35.740 34.502 1.238 18832 3455 1 12 . 1 1 15 15 VAL H H 15 8.851 8.851 8.810 0.041 18832 3456 1 12 . 1 1 16 16 ALA N N 16 129.460 129.460 128.227 1.233 18832 3457 1 12 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.277 -0.277 18832 3458 1 12 . 1 1 16 16 ALA CA C 16 52.000 52.000 49.926 2.074 18832 3459 1 12 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.892 -1.562 18832 3460 1 12 . 1 1 16 16 ALA H H 16 9.113 9.113 8.524 0.589 18832 3461 1 12 . 1 1 17 17 PHE N N 17 124.070 124.070 120.473 3.597 18832 3462 1 12 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.873 -0.072 18832 3463 1 12 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.955 0.275 18832 3464 1 12 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.649 1.351 18832 3465 1 12 . 1 1 17 17 PHE H H 17 8.787 8.787 7.660 1.127 18832 3466 1 12 . 1 1 18 18 TYR N N 18 118.210 118.210 123.365 -5.155 18832 3467 1 12 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.351 0.132 18832 3468 1 12 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.309 -2.009 18832 3469 1 12 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.986 0.824 18832 3470 1 12 . 1 1 18 18 TYR H H 18 7.281 7.281 7.658 -0.377 18832 3471 1 12 . 1 1 19 19 ASN N N 19 116.800 116.800 119.380 -2.580 18832 3472 1 12 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.838 -0.128 18832 3473 1 12 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.839 0.101 18832 3474 1 12 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.706 0.354 18832 3475 1 12 . 1 1 19 19 ASN H H 19 8.134 8.134 8.359 -0.225 18832 3476 1 12 . 1 1 20 20 TYR N N 20 122.190 122.190 122.371 -0.181 18832 3477 1 12 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.561 0.126 18832 3478 1 12 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.059 -0.339 18832 3479 1 12 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.124 2.126 18832 3480 1 12 . 1 1 20 20 TYR H H 20 8.993 8.993 7.948 1.045 18832 3481 1 12 . 1 1 21 21 ASP N N 21 128.520 128.520 125.422 3.098 18832 3482 1 12 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.587 0.203 18832 3483 1 12 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.292 0.078 18832 3484 1 12 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.142 -2.012 18832 3485 1 12 . 1 1 21 21 ASP H H 21 7.838 7.838 8.045 -0.207 18832 3486 1 12 . 1 1 22 22 ALA N N 22 125.240 125.240 126.304 -1.064 18832 3487 1 12 . 1 1 22 22 ALA HA H 22 4.051 4.051 3.982 0.069 18832 3488 1 12 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.913 0.027 18832 3489 1 12 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.491 0.959 18832 3490 1 12 . 1 1 22 22 ALA H H 22 8.103 8.103 8.285 -0.182 18832 3491 1 12 . 1 1 23 23 ARG N N 23 122.190 122.190 123.541 -1.351 18832 3492 1 12 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.180 0.166 18832 3493 1 12 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.982 -1.492 18832 3494 1 12 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.576 0.124 18832 3495 1 12 . 1 1 23 23 ARG H H 23 8.887 8.887 8.630 0.257 18832 3496 1 12 . 1 1 24 24 GLY N N 24 105.320 105.320 104.782 0.538 18832 3497 1 12 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.627 -0.127 18832 3498 1 12 . 1 1 24 24 GLY H H 24 7.258 7.258 7.560 -0.302 18832 3499 1 12 . 1 1 25 25 ALA N N 25 122.190 122.190 121.546 0.644 18832 3500 1 12 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.245 -0.079 18832 3501 1 12 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.081 0.359 18832 3502 1 12 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.018 -0.248 18832 3503 1 12 . 1 1 25 25 ALA H H 25 8.627 8.627 8.468 0.159 18832 3504 1 12 . 1 1 26 26 ASP N N 26 114.690 114.690 116.476 -1.786 18832 3505 1 12 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.488 0.212 18832 3506 1 12 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.993 -2.123 18832 3507 1 12 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.724 -0.334 18832 3508 1 12 . 1 1 26 26 ASP H H 26 8.955 8.955 8.536 0.419 18832 3509 1 12 . 1 1 27 27 GLU N N 27 118.910 118.910 116.565 2.345 18832 3510 1 12 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.722 0.480 18832 3511 1 12 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.337 -0.407 18832 3512 1 12 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.057 0.823 18832 3513 1 12 . 1 1 27 27 GLU H H 27 7.537 7.537 7.520 0.017 18832 3514 1 12 . 1 1 28 28 LEU N N 28 121.490 121.490 123.635 -2.145 18832 3515 1 12 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.739 0.017 18832 3516 1 12 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.874 -0.755 18832 3517 1 12 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.909 -0.409 18832 3518 1 12 . 1 1 28 28 LEU H H 28 8.890 8.890 8.625 0.265 18832 3519 1 12 . 1 1 29 29 SER N N 29 115.870 115.870 119.557 -3.687 18832 3520 1 12 . 1 1 29 29 SER HA H 29 5.009 5.009 4.486 0.523 18832 3521 1 12 . 1 1 29 29 SER CA C 29 58.470 58.470 58.845 -0.375 18832 3522 1 12 . 1 1 29 29 SER CB C 29 63.690 63.690 63.726 -0.036 18832 3523 1 12 . 1 1 29 29 SER H H 29 7.948 7.948 8.368 -0.420 18832 3524 1 12 . 1 1 30 30 LEU N N 30 121.260 121.260 126.073 -4.813 18832 3525 1 12 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.724 0.052 18832 3526 1 12 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.235 -1.295 18832 3527 1 12 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.371 0.999 18832 3528 1 12 . 1 1 30 30 LEU H H 30 9.500 9.500 8.188 1.312 18832 3529 1 12 . 1 1 31 31 GLN N N 31 123.130 123.130 118.840 4.290 18832 3530 1 12 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.254 -0.189 18832 3531 1 12 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.908 -0.968 18832 3532 1 12 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.996 -1.806 18832 3533 1 12 . 1 1 31 31 GLN H H 31 9.147 9.147 8.417 0.730 18832 3534 1 12 . 1 1 32 32 ILE N N 32 120.790 120.790 120.884 -0.094 18832 3535 1 12 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.130 -1.098 18832 3536 1 12 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.118 1.132 18832 3537 1 12 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.900 0.040 18832 3538 1 12 . 1 1 32 32 ILE H H 32 8.016 8.016 8.384 -0.368 18832 3539 1 12 . 1 1 33 33 GLY N N 33 115.870 115.870 115.475 0.395 18832 3540 1 12 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.824 -0.324 18832 3541 1 12 . 1 1 33 33 GLY H H 33 8.775 8.775 9.024 -0.249 18832 3542 1 12 . 1 1 34 34 ASP N N 34 122.430 122.430 122.217 0.213 18832 3543 1 12 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.941 -0.307 18832 3544 1 12 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.888 1.972 18832 3545 1 12 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.204 -0.894 18832 3546 1 12 . 1 1 34 34 ASP H H 34 8.686 8.686 7.702 0.984 18832 3547 1 12 . 1 1 35 35 THR N N 35 117.980 117.980 118.577 -0.597 18832 3548 1 12 . 1 1 35 35 THR HA H 35 5.154 5.154 4.859 0.295 18832 3549 1 12 . 1 1 35 35 THR CA C 35 61.450 61.450 61.925 -0.475 18832 3550 1 12 . 1 1 35 35 THR CB C 35 69.090 69.090 69.855 -0.765 18832 3551 1 12 . 1 1 35 35 THR H H 35 8.392 8.392 8.496 -0.104 18832 3552 1 12 . 1 1 36 36 VAL N N 36 118.200 118.200 120.037 -1.837 18832 3553 1 12 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.718 0.434 18832 3554 1 12 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.609 -1.699 18832 3555 1 12 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.555 -0.365 18832 3556 1 12 . 1 1 36 36 VAL H H 36 9.016 9.016 9.083 -0.067 18832 3557 1 12 . 1 1 37 37 HIS N N 37 122.190 122.190 126.369 -4.179 18832 3558 1 12 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.896 -0.085 18832 3559 1 12 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.033 -1.473 18832 3560 1 12 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.252 1.008 18832 3561 1 12 . 1 1 37 37 HIS H H 37 8.491 8.491 8.726 -0.235 18832 3562 1 12 . 1 1 38 38 ILE N N 38 126.650 126.650 128.380 -1.730 18832 3563 1 12 . 1 1 38 38 ILE HA H 38 3.750 3.750 3.980 -0.230 18832 3564 1 12 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.924 -1.284 18832 3565 1 12 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.304 1.576 18832 3566 1 12 . 1 1 38 38 ILE H H 38 8.638 8.638 8.717 -0.079 18832 3567 1 12 . 1 1 39 39 LEU N N 39 126.180 126.180 128.657 -2.477 18832 3568 1 12 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.666 -0.286 18832 3569 1 12 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.344 0.146 18832 3570 1 12 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.888 -0.138 18832 3571 1 12 . 1 1 39 39 LEU H H 39 9.163 9.163 8.906 0.257 18832 3572 1 12 . 1 1 40 40 GLU N N 40 115.160 115.160 116.589 -1.429 18832 3573 1 12 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.581 0.439 18832 3574 1 12 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.401 -0.311 18832 3575 1 12 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.219 1.511 18832 3576 1 12 . 1 1 40 40 GLU H H 40 7.852 7.852 8.188 -0.336 18832 3577 1 12 . 1 1 41 41 THR HA H 41 4.270 4.270 4.453 -0.183 18832 3578 1 12 . 1 1 41 41 THR CA C 41 61.250 61.250 60.056 1.194 18832 3579 1 12 . 1 1 41 41 THR CB C 41 71.410 71.410 70.705 0.705 18832 3580 1 12 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.285 0.265 18832 3581 1 12 . 1 1 43 43 GLU N N 43 124.100 124.100 119.807 4.293 18832 3582 1 12 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.060 -0.320 18832 3583 1 12 . 1 1 43 43 GLU H H 43 8.590 8.590 8.265 0.325 18832 3584 1 12 . 1 1 44 44 GLY N N 44 110.789 110.789 109.910 0.879 18832 3585 1 12 . 1 1 44 44 GLY CA C 44 45.440 45.440 44.992 0.448 18832 3586 1 12 . 1 1 44 44 GLY H H 44 8.432 8.432 8.428 0.004 18832 3587 1 12 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.444 0.246 18832 3588 1 12 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.297 1.253 18832 3589 1 12 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.544 1.056 18832 3590 1 12 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.500 -0.440 18832 3591 1 12 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.408 1.242 18832 3592 1 12 . 1 1 47 47 ARG N N 47 118.100 118.100 122.694 -4.594 18832 3593 1 12 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.915 0.179 18832 3594 1 12 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.667 -0.607 18832 3595 1 12 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.239 0.011 18832 3596 1 12 . 1 1 47 47 ARG H H 47 8.492 8.492 8.302 0.190 18832 3597 1 12 . 1 1 48 48 GLY N N 48 114.000 114.000 113.494 0.506 18832 3598 1 12 . 1 1 48 48 GLY CA C 48 46.560 46.560 44.978 1.582 18832 3599 1 12 . 1 1 48 48 GLY H H 48 9.183 9.183 8.418 0.765 18832 3600 1 12 . 1 1 49 49 TYR N N 49 116.100 116.100 115.617 0.483 18832 3601 1 12 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.316 0.057 18832 3602 1 12 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.109 0.001 18832 3603 1 12 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.617 0.133 18832 3604 1 12 . 1 1 49 49 TYR H H 49 8.194 8.194 8.141 0.053 18832 3605 1 12 . 1 1 50 50 THR N N 50 112.350 112.350 116.516 -4.166 18832 3606 1 12 . 1 1 50 50 THR HA H 50 5.105 5.105 4.578 0.527 18832 3607 1 12 . 1 1 50 50 THR CA C 50 59.770 59.770 61.739 -1.969 18832 3608 1 12 . 1 1 50 50 THR CB C 50 69.460 69.460 69.884 -0.424 18832 3609 1 12 . 1 1 50 50 THR H H 50 9.441 9.441 8.716 0.725 18832 3610 1 12 . 1 1 51 51 LEU N N 51 121.260 121.260 122.228 -0.968 18832 3611 1 12 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.107 0.129 18832 3612 1 12 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.065 -0.275 18832 3613 1 12 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.136 -1.136 18832 3614 1 12 . 1 1 51 51 LEU H H 51 8.310 8.310 8.692 -0.382 18832 3615 1 12 . 1 1 52 52 ARG N N 52 116.570 116.570 118.346 -1.776 18832 3616 1 12 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.213 0.037 18832 3617 1 12 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.391 -1.041 18832 3618 1 12 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.730 -0.220 18832 3619 1 12 . 1 1 52 52 ARG H H 52 8.047 8.047 8.258 -0.211 18832 3620 1 12 . 1 1 53 53 LYS N N 53 122.660 122.660 119.084 3.576 18832 3621 1 12 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.569 0.047 18832 3622 1 12 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.239 -0.619 18832 3623 1 12 . 1 1 53 53 LYS CB C 53 32.860 32.860 30.875 1.986 18832 3624 1 12 . 1 1 53 53 LYS H H 53 7.649 7.649 8.117 -0.468 18832 3625 1 12 . 1 1 54 54 LYS N N 54 125.010 125.010 120.608 4.402 18832 3626 1 12 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.180 -0.090 18832 3627 1 12 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.742 -0.272 18832 3628 1 12 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.576 -0.446 18832 3629 1 12 . 1 1 54 54 LYS H H 54 8.496 8.496 8.147 0.349 18832 3630 1 12 . 1 1 55 55 SER N N 55 110.240 110.240 113.675 -3.435 18832 3631 1 12 . 1 1 55 55 SER HA H 55 4.122 4.122 4.274 -0.152 18832 3632 1 12 . 1 1 55 55 SER CA C 55 58.960 58.960 59.725 -0.765 18832 3633 1 12 . 1 1 55 55 SER CB C 55 63.310 63.310 63.469 -0.159 18832 3634 1 12 . 1 1 55 55 SER H H 55 7.857 7.857 8.270 -0.413 18832 3635 1 12 . 1 1 56 56 LYS N N 56 124.070 124.070 121.807 2.263 18832 3636 1 12 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.271 0.397 18832 3637 1 12 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.101 -1.291 18832 3638 1 12 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.374 0.876 18832 3639 1 12 . 1 1 56 56 LYS H H 56 7.473 7.473 8.148 -0.675 18832 3640 1 12 . 1 1 57 57 LYS N N 57 125.940 125.940 124.764 1.176 18832 3641 1 12 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.591 0.750 18832 3642 1 12 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.998 -0.378 18832 3643 1 12 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.308 -1.068 18832 3644 1 12 . 1 1 57 57 LYS H H 57 8.474 8.474 8.323 0.151 18832 3645 1 12 . 1 1 58 58 GLY N N 58 109.540 109.540 109.559 -0.019 18832 3646 1 12 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.876 0.744 18832 3647 1 12 . 1 1 58 58 GLY H H 58 9.075 9.075 8.541 0.534 18832 3648 1 12 . 1 1 59 59 ILE N N 59 113.900 113.900 115.469 -1.569 18832 3649 1 12 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.044 0.956 18832 3650 1 12 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.063 0.527 18832 3651 1 12 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.242 -0.102 18832 3652 1 12 . 1 1 59 59 ILE H H 59 8.628 8.628 8.186 0.442 18832 3653 1 12 . 1 1 60 60 PHE N N 60 117.040 117.040 117.087 -0.047 18832 3654 1 12 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.405 -0.285 18832 3655 1 12 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.075 -1.015 18832 3656 1 12 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.073 -2.883 18832 3657 1 12 . 1 1 60 60 PHE H H 60 8.724 8.724 8.758 -0.034 18832 3658 1 12 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.499 -1.019 18832 3659 1 12 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.144 0.056 18832 3660 1 12 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.491 -1.301 18832 3661 1 12 . 1 1 62 62 ALA N N 62 124.770 124.770 125.132 -0.362 18832 3662 1 12 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.919 -0.209 18832 3663 1 12 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.334 0.036 18832 3664 1 12 . 1 1 62 62 ALA CB C 62 17.650 17.650 17.885 -0.235 18832 3665 1 12 . 1 1 62 62 ALA H H 62 7.898 7.898 8.252 -0.354 18832 3666 1 12 . 1 1 63 63 SER N N 63 109.700 109.700 115.712 -6.012 18832 3667 1 12 . 1 1 63 63 SER HA H 63 4.200 4.200 4.175 0.025 18832 3668 1 12 . 1 1 63 63 SER CA C 63 59.400 59.400 61.197 -1.797 18832 3669 1 12 . 1 1 63 63 SER CB C 63 62.380 62.380 62.889 -0.509 18832 3670 1 12 . 1 1 63 63 SER H H 63 8.030 8.030 8.512 -0.482 18832 3671 1 12 . 1 1 64 64 TYR N N 64 120.300 120.300 112.197 8.103 18832 3672 1 12 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.471 -0.221 18832 3673 1 12 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.875 2.845 18832 3674 1 12 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.228 0.332 18832 3675 1 12 . 1 1 64 64 TYR H H 64 7.128 7.128 6.917 0.211 18832 3676 1 12 . 1 1 65 65 ILE N N 65 118.000 118.000 121.519 -3.519 18832 3677 1 12 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.816 -0.006 18832 3678 1 12 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.047 -2.067 18832 3679 1 12 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.916 0.714 18832 3680 1 12 . 1 1 65 65 ILE H H 65 7.671 7.671 7.372 0.299 18832 3681 1 12 . 1 1 66 66 HIS N N 66 124.300 124.300 127.052 -2.752 18832 3682 1 12 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.912 0.218 18832 3683 1 12 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.469 -1.409 18832 3684 1 12 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.767 -3.257 18832 3685 1 12 . 1 1 66 66 HIS H H 66 9.159 9.159 8.847 0.312 18832 3686 1 12 . 1 1 67 67 LEU N N 67 127.580 127.580 127.127 0.453 18832 3687 1 12 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.424 0.146 18832 3688 1 12 . 1 1 67 67 LEU CA C 67 55.300 55.300 54.178 1.122 18832 3689 1 12 . 1 1 67 67 LEU CB C 67 42.060 42.060 40.659 1.401 18832 3690 1 12 . 1 1 67 67 LEU H H 67 8.992 8.992 8.492 0.500 18832 3691 1 12 . 1 1 68 68 LYS N N 68 121.900 121.900 125.119 -3.219 18832 3692 1 12 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.506 -0.016 18832 3693 1 12 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.719 0.391 18832 3694 1 12 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.402 1.208 18832 3695 1 12 . 1 1 68 68 LYS H H 68 8.499 8.499 8.175 0.324 18832 3696 1 12 . 1 1 69 69 GLU N N 69 122.190 122.190 119.620 2.570 18832 3697 1 12 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.695 -0.415 18832 3698 1 12 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.285 1.325 18832 3699 1 12 . 1 1 69 69 GLU CB C 69 30.330 30.330 30.813 -0.483 18832 3700 1 12 . 1 1 69 69 GLU H H 69 8.569 8.569 8.570 -0.001 18832 3701 1 12 . 1 1 70 70 ALA N N 70 123.370 123.370 128.446 -5.076 18832 3702 1 12 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.115 0.085 18832 3703 1 12 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.352 -0.542 18832 3704 1 12 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.685 1.015 18832 3705 1 12 . 1 1 70 70 ALA H H 70 8.181 8.181 8.810 -0.629 18832 3706 1 12 . 1 1 71 71 ILE N N 71 120.080 120.080 124.986 -4.906 18832 3707 1 12 . 1 1 71 71 ILE HA H 71 4.070 4.070 3.956 0.114 18832 3708 1 12 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.792 -1.462 18832 3709 1 12 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.212 0.478 18832 3710 1 12 . 1 1 71 71 ILE H H 71 7.776 7.776 7.851 -0.075 18832 3711 1 12 . 1 1 72 72 VAL N N 72 124.540 124.540 129.041 -4.501 18832 3712 1 12 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.286 -0.216 18832 3713 1 12 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.831 -0.191 18832 3714 1 12 . 1 1 72 72 VAL CB C 72 32.690 32.690 33.710 -1.020 18832 3715 1 12 . 1 1 72 72 VAL H H 72 8.089 8.089 8.317 -0.228 18832 3716 1 12 . 1 1 73 73 GLU N N 73 125.940 125.940 125.103 0.837 18832 3717 1 12 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.635 -0.355 18832 3718 1 12 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.212 0.398 18832 3719 1 12 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.255 0.455 18832 3720 1 12 . 1 1 73 73 GLU H H 73 8.464 8.464 8.773 -0.309 18832 3721 1 13 . 1 1 2 2 THR N N 2 116.400 116.400 111.800 4.600 18832 3722 1 13 . 1 1 2 2 THR HA H 2 4.120 4.120 4.063 0.057 18832 3723 1 13 . 1 1 2 2 THR CA C 2 62.100 62.100 63.270 -1.170 18832 3724 1 13 . 1 1 2 2 THR CB C 2 69.440 69.440 68.072 1.368 18832 3725 1 13 . 1 1 2 2 THR H H 2 8.150 8.150 8.399 -0.249 18832 3726 1 13 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.406 -0.096 18832 3727 1 13 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.382 0.368 18832 3728 1 13 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.491 -0.870 18832 3729 1 13 . 1 1 4 4 TRP N N 4 123.300 123.300 121.009 2.291 18832 3730 1 13 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.603 -0.123 18832 3731 1 13 . 1 1 4 4 TRP CA C 4 57.560 57.560 57.230 0.330 18832 3732 1 13 . 1 1 4 4 TRP CB C 4 29.490 29.490 29.984 -0.494 18832 3733 1 13 . 1 1 4 4 TRP H H 4 8.108 8.108 8.651 -0.543 18832 3734 1 13 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.297 0.273 18832 3735 1 13 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.028 -1.188 18832 3736 1 13 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.512 0.298 18832 3737 1 13 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.619 -0.409 18832 3738 1 13 . 1 1 7 7 THR HA H 7 4.270 4.270 3.968 0.302 18832 3739 1 13 . 1 1 7 7 THR CA C 7 60.890 60.890 64.460 -3.570 18832 3740 1 13 . 1 1 7 7 THR CB C 7 70.140 70.140 68.828 1.312 18832 3741 1 13 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.342 0.098 18832 3742 1 13 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.645 0.335 18832 3743 1 13 . 1 1 8 8 LYS CB C 8 35.050 35.050 34.206 0.843 18832 3744 1 13 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.421 0.159 18832 3745 1 13 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.051 -0.481 18832 3746 1 13 . 1 1 10 10 GLU CB C 10 30.780 30.780 31.045 -0.265 18832 3747 1 13 . 1 1 11 11 GLU N N 11 122.500 122.500 123.843 -1.343 18832 3748 1 13 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.595 -0.255 18832 3749 1 13 . 1 1 11 11 GLU CA C 11 57.140 57.140 56.478 0.662 18832 3750 1 13 . 1 1 11 11 GLU CB C 11 29.400 29.400 29.887 -0.487 18832 3751 1 13 . 1 1 11 11 GLU H H 11 8.271 8.271 8.784 -0.513 18832 3752 1 13 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.449 -0.069 18832 3753 1 13 . 1 1 12 12 LYS CA C 12 55.790 55.790 55.244 0.546 18832 3754 1 13 . 1 1 12 12 LYS CB C 12 33.600 33.600 35.425 -1.825 18832 3755 1 13 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.735 0.825 18832 3756 1 13 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.090 -0.230 18832 3757 1 13 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.971 2.469 18832 3758 1 13 . 1 1 14 14 GLY N N 14 105.320 105.320 106.899 -1.579 18832 3759 1 13 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.297 0.943 18832 3760 1 13 . 1 1 14 14 GLY H H 14 8.401 8.401 9.080 -0.679 18832 3761 1 13 . 1 1 15 15 VAL N N 15 118.900 118.900 118.260 0.640 18832 3762 1 13 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.710 0.631 18832 3763 1 13 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.949 -1.739 18832 3764 1 13 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.761 -1.021 18832 3765 1 13 . 1 1 15 15 VAL H H 15 8.851 8.851 8.834 0.017 18832 3766 1 13 . 1 1 16 16 ALA N N 16 129.460 129.460 125.396 4.064 18832 3767 1 13 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.417 -0.417 18832 3768 1 13 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.491 1.509 18832 3769 1 13 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.052 -1.722 18832 3770 1 13 . 1 1 16 16 ALA H H 16 9.113 9.113 8.548 0.565 18832 3771 1 13 . 1 1 17 17 PHE N N 17 124.070 124.070 120.700 3.370 18832 3772 1 13 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.902 -0.101 18832 3773 1 13 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.664 0.566 18832 3774 1 13 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.751 1.249 18832 3775 1 13 . 1 1 17 17 PHE H H 17 8.787 8.787 8.274 0.513 18832 3776 1 13 . 1 1 18 18 TYR N N 18 118.210 118.210 123.744 -5.534 18832 3777 1 13 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.262 0.221 18832 3778 1 13 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.152 -1.852 18832 3779 1 13 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.838 0.972 18832 3780 1 13 . 1 1 18 18 TYR H H 18 7.281 7.281 7.615 -0.334 18832 3781 1 13 . 1 1 19 19 ASN N N 19 116.800 116.800 119.326 -2.526 18832 3782 1 13 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.842 -0.132 18832 3783 1 13 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.892 0.048 18832 3784 1 13 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.697 0.363 18832 3785 1 13 . 1 1 19 19 ASN H H 19 8.134 8.134 8.146 -0.012 18832 3786 1 13 . 1 1 20 20 TYR N N 20 122.190 122.190 123.141 -0.951 18832 3787 1 13 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.712 -0.025 18832 3788 1 13 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.007 0.713 18832 3789 1 13 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.841 1.409 18832 3790 1 13 . 1 1 20 20 TYR H H 20 8.993 8.993 8.086 0.907 18832 3791 1 13 . 1 1 21 21 ASP N N 21 128.520 128.520 124.881 3.639 18832 3792 1 13 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.622 0.168 18832 3793 1 13 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.967 0.404 18832 3794 1 13 . 1 1 21 21 ASP CB C 21 41.130 41.130 44.552 -3.422 18832 3795 1 13 . 1 1 21 21 ASP H H 21 7.838 7.838 8.313 -0.475 18832 3796 1 13 . 1 1 22 22 ALA N N 22 125.240 125.240 123.013 2.227 18832 3797 1 13 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.178 -0.127 18832 3798 1 13 . 1 1 22 22 ALA CA C 22 52.940 52.940 51.750 1.190 18832 3799 1 13 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.821 0.629 18832 3800 1 13 . 1 1 22 22 ALA H H 22 8.103 8.103 8.120 -0.017 18832 3801 1 13 . 1 1 23 23 ARG N N 23 122.190 122.190 123.767 -1.577 18832 3802 1 13 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.410 -0.064 18832 3803 1 13 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.271 0.219 18832 3804 1 13 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.192 0.508 18832 3805 1 13 . 1 1 23 23 ARG H H 23 8.887 8.887 8.625 0.262 18832 3806 1 13 . 1 1 24 24 GLY N N 24 105.320 105.320 105.557 -0.237 18832 3807 1 13 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.564 -0.064 18832 3808 1 13 . 1 1 24 24 GLY H H 24 7.258 7.258 7.290 -0.032 18832 3809 1 13 . 1 1 25 25 ALA N N 25 122.190 122.190 121.069 1.121 18832 3810 1 13 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.087 0.079 18832 3811 1 13 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.305 0.135 18832 3812 1 13 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.151 -0.381 18832 3813 1 13 . 1 1 25 25 ALA H H 25 8.627 8.627 8.336 0.291 18832 3814 1 13 . 1 1 26 26 ASP N N 26 114.690 114.690 117.267 -2.577 18832 3815 1 13 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.344 0.356 18832 3816 1 13 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.540 -2.670 18832 3817 1 13 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.094 -0.704 18832 3818 1 13 . 1 1 26 26 ASP H H 26 8.955 8.955 8.593 0.362 18832 3819 1 13 . 1 1 27 27 GLU N N 27 118.910 118.910 116.667 2.243 18832 3820 1 13 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.614 0.588 18832 3821 1 13 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.101 -0.171 18832 3822 1 13 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.297 0.583 18832 3823 1 13 . 1 1 27 27 GLU H H 27 7.537 7.537 7.709 -0.172 18832 3824 1 13 . 1 1 28 28 LEU N N 28 121.490 121.490 119.735 1.755 18832 3825 1 13 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.706 0.050 18832 3826 1 13 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.851 -0.731 18832 3827 1 13 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.623 -1.123 18832 3828 1 13 . 1 1 28 28 LEU H H 28 8.890 8.890 8.588 0.302 18832 3829 1 13 . 1 1 29 29 SER N N 29 115.870 115.870 119.098 -3.228 18832 3830 1 13 . 1 1 29 29 SER HA H 29 5.009 5.009 4.395 0.614 18832 3831 1 13 . 1 1 29 29 SER CA C 29 58.470 58.470 58.374 0.096 18832 3832 1 13 . 1 1 29 29 SER CB C 29 63.690 63.690 63.089 0.601 18832 3833 1 13 . 1 1 29 29 SER H H 29 7.948 7.948 8.348 -0.400 18832 3834 1 13 . 1 1 30 30 LEU N N 30 121.260 121.260 127.262 -6.002 18832 3835 1 13 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.673 0.103 18832 3836 1 13 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.259 -1.319 18832 3837 1 13 . 1 1 30 30 LEU CB C 30 46.370 46.370 44.321 2.049 18832 3838 1 13 . 1 1 30 30 LEU H H 30 9.500 9.500 8.244 1.256 18832 3839 1 13 . 1 1 31 31 GLN N N 31 123.130 123.130 119.444 3.686 18832 3840 1 13 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.167 -0.102 18832 3841 1 13 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.448 -0.508 18832 3842 1 13 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.105 -1.915 18832 3843 1 13 . 1 1 31 31 GLN H H 31 9.147 9.147 8.520 0.627 18832 3844 1 13 . 1 1 32 32 ILE N N 32 120.790 120.790 120.563 0.227 18832 3845 1 13 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.029 -0.997 18832 3846 1 13 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.453 0.797 18832 3847 1 13 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.732 0.208 18832 3848 1 13 . 1 1 32 32 ILE H H 32 8.016 8.016 8.380 -0.364 18832 3849 1 13 . 1 1 33 33 GLY N N 33 115.870 115.870 115.728 0.142 18832 3850 1 13 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.831 -0.331 18832 3851 1 13 . 1 1 33 33 GLY H H 33 8.775 8.775 9.057 -0.282 18832 3852 1 13 . 1 1 34 34 ASP N N 34 122.430 122.430 122.562 -0.132 18832 3853 1 13 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.977 -0.343 18832 3854 1 13 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.831 2.029 18832 3855 1 13 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.301 -0.991 18832 3856 1 13 . 1 1 34 34 ASP H H 34 8.686 8.686 7.821 0.865 18832 3857 1 13 . 1 1 35 35 THR N N 35 117.980 117.980 117.906 0.074 18832 3858 1 13 . 1 1 35 35 THR HA H 35 5.154 5.154 4.767 0.387 18832 3859 1 13 . 1 1 35 35 THR CA C 35 61.450 61.450 62.581 -1.131 18832 3860 1 13 . 1 1 35 35 THR CB C 35 69.090 69.090 69.730 -0.640 18832 3861 1 13 . 1 1 35 35 THR H H 35 8.392 8.392 8.490 -0.098 18832 3862 1 13 . 1 1 36 36 VAL N N 36 118.200 118.200 116.791 1.409 18832 3863 1 13 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.602 0.550 18832 3864 1 13 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.013 -2.103 18832 3865 1 13 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.234 -1.044 18832 3866 1 13 . 1 1 36 36 VAL H H 36 9.016 9.016 8.745 0.271 18832 3867 1 13 . 1 1 37 37 HIS N N 37 122.190 122.190 125.897 -3.707 18832 3868 1 13 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.981 -0.170 18832 3869 1 13 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.453 -1.893 18832 3870 1 13 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.947 0.313 18832 3871 1 13 . 1 1 37 37 HIS H H 37 8.491 8.491 8.092 0.399 18832 3872 1 13 . 1 1 38 38 ILE N N 38 126.650 126.650 127.239 -0.589 18832 3873 1 13 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.107 -0.357 18832 3874 1 13 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.655 -1.015 18832 3875 1 13 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.964 0.916 18832 3876 1 13 . 1 1 38 38 ILE H H 38 8.638 8.638 8.543 0.095 18832 3877 1 13 . 1 1 39 39 LEU N N 39 126.180 126.180 123.896 2.284 18832 3878 1 13 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.695 -0.315 18832 3879 1 13 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.381 0.109 18832 3880 1 13 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.286 0.464 18832 3881 1 13 . 1 1 39 39 LEU H H 39 9.163 9.163 8.895 0.268 18832 3882 1 13 . 1 1 40 40 GLU N N 40 115.160 115.160 117.479 -2.319 18832 3883 1 13 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.540 0.480 18832 3884 1 13 . 1 1 40 40 GLU CA C 40 55.090 55.090 54.969 0.121 18832 3885 1 13 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.661 2.069 18832 3886 1 13 . 1 1 40 40 GLU H H 40 7.852 7.852 7.670 0.182 18832 3887 1 13 . 1 1 41 41 THR HA H 41 4.270 4.270 4.484 -0.214 18832 3888 1 13 . 1 1 41 41 THR CA C 41 61.250 61.250 60.695 0.555 18832 3889 1 13 . 1 1 41 41 THR CB C 41 71.410 71.410 70.041 1.369 18832 3890 1 13 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.363 0.187 18832 3891 1 13 . 1 1 43 43 GLU N N 43 124.100 124.100 118.575 5.525 18832 3892 1 13 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.521 -0.781 18832 3893 1 13 . 1 1 43 43 GLU H H 43 8.590 8.590 8.287 0.303 18832 3894 1 13 . 1 1 44 44 GLY N N 44 110.789 110.789 110.347 0.442 18832 3895 1 13 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.319 0.121 18832 3896 1 13 . 1 1 44 44 GLY H H 44 8.432 8.432 8.809 -0.377 18832 3897 1 13 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.609 0.081 18832 3898 1 13 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.916 1.634 18832 3899 1 13 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.744 0.856 18832 3900 1 13 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.992 -0.932 18832 3901 1 13 . 1 1 46 46 TYR CB C 46 42.650 42.650 40.989 1.661 18832 3902 1 13 . 1 1 47 47 ARG N N 47 118.100 118.100 119.405 -1.305 18832 3903 1 13 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.048 0.046 18832 3904 1 13 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.047 0.013 18832 3905 1 13 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.626 -1.376 18832 3906 1 13 . 1 1 47 47 ARG H H 47 8.492 8.492 8.160 0.332 18832 3907 1 13 . 1 1 48 48 GLY N N 48 114.000 114.000 109.726 4.274 18832 3908 1 13 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.102 0.458 18832 3909 1 13 . 1 1 48 48 GLY H H 48 9.183 9.183 8.891 0.292 18832 3910 1 13 . 1 1 49 49 TYR N N 49 116.100 116.100 115.119 0.981 18832 3911 1 13 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.158 0.215 18832 3912 1 13 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.206 -1.095 18832 3913 1 13 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.577 0.173 18832 3914 1 13 . 1 1 49 49 TYR H H 49 8.194 8.194 8.068 0.126 18832 3915 1 13 . 1 1 50 50 THR N N 50 112.350 112.350 114.575 -2.225 18832 3916 1 13 . 1 1 50 50 THR HA H 50 5.105 5.105 4.606 0.499 18832 3917 1 13 . 1 1 50 50 THR CA C 50 59.770 59.770 61.496 -1.726 18832 3918 1 13 . 1 1 50 50 THR CB C 50 69.460 69.460 69.958 -0.498 18832 3919 1 13 . 1 1 50 50 THR H H 50 9.441 9.441 8.699 0.742 18832 3920 1 13 . 1 1 51 51 LEU N N 51 121.260 121.260 123.226 -1.966 18832 3921 1 13 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.069 0.167 18832 3922 1 13 . 1 1 51 51 LEU CA C 51 56.790 56.790 58.191 -1.401 18832 3923 1 13 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.712 -1.712 18832 3924 1 13 . 1 1 51 51 LEU H H 51 8.310 8.310 8.265 0.045 18832 3925 1 13 . 1 1 52 52 ARG N N 52 116.570 116.570 117.297 -0.727 18832 3926 1 13 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.207 0.043 18832 3927 1 13 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.958 -0.608 18832 3928 1 13 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.524 -0.014 18832 3929 1 13 . 1 1 52 52 ARG H H 52 8.047 8.047 8.288 -0.241 18832 3930 1 13 . 1 1 53 53 LYS N N 53 122.660 122.660 119.143 3.517 18832 3931 1 13 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.524 0.092 18832 3932 1 13 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.354 -0.734 18832 3933 1 13 . 1 1 53 53 LYS CB C 53 32.860 32.860 32.651 0.209 18832 3934 1 13 . 1 1 53 53 LYS H H 53 7.649 7.649 7.551 0.098 18832 3935 1 13 . 1 1 54 54 LYS N N 54 125.010 125.010 119.070 5.940 18832 3936 1 13 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.136 -0.046 18832 3937 1 13 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.559 -0.090 18832 3938 1 13 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.131 -0.001 18832 3939 1 13 . 1 1 54 54 LYS H H 54 8.496 8.496 8.385 0.111 18832 3940 1 13 . 1 1 55 55 SER N N 55 110.240 110.240 114.237 -3.997 18832 3941 1 13 . 1 1 55 55 SER HA H 55 4.122 4.122 4.128 -0.006 18832 3942 1 13 . 1 1 55 55 SER CA C 55 58.960 58.960 60.092 -1.131 18832 3943 1 13 . 1 1 55 55 SER CB C 55 63.310 63.310 63.336 -0.026 18832 3944 1 13 . 1 1 55 55 SER H H 55 7.857 7.857 8.187 -0.330 18832 3945 1 13 . 1 1 56 56 LYS N N 56 124.070 124.070 121.056 3.014 18832 3946 1 13 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.294 0.374 18832 3947 1 13 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.326 -1.516 18832 3948 1 13 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.022 0.228 18832 3949 1 13 . 1 1 56 56 LYS H H 56 7.473 7.473 8.057 -0.584 18832 3950 1 13 . 1 1 57 57 LYS N N 57 125.940 125.940 122.073 3.867 18832 3951 1 13 . 1 1 57 57 LYS HA H 57 5.341 5.341 5.012 0.329 18832 3952 1 13 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.401 0.219 18832 3953 1 13 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.209 -1.969 18832 3954 1 13 . 1 1 57 57 LYS H H 57 8.474 8.474 8.103 0.371 18832 3955 1 13 . 1 1 58 58 GLY N N 58 109.540 109.540 105.737 3.803 18832 3956 1 13 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.562 0.058 18832 3957 1 13 . 1 1 58 58 GLY H H 58 9.075 9.075 8.458 0.617 18832 3958 1 13 . 1 1 59 59 ILE N N 59 113.900 113.900 115.962 -2.062 18832 3959 1 13 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.067 0.933 18832 3960 1 13 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.536 1.054 18832 3961 1 13 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.766 0.374 18832 3962 1 13 . 1 1 59 59 ILE H H 59 8.628 8.628 7.795 0.833 18832 3963 1 13 . 1 1 60 60 PHE N N 60 117.040 117.040 116.837 0.203 18832 3964 1 13 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.525 -0.405 18832 3965 1 13 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.694 -0.634 18832 3966 1 13 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.256 -3.066 18832 3967 1 13 . 1 1 60 60 PHE H H 60 8.724 8.724 8.594 0.130 18832 3968 1 13 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.718 -1.238 18832 3969 1 13 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.275 -0.075 18832 3970 1 13 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.776 -1.585 18832 3971 1 13 . 1 1 62 62 ALA N N 62 124.770 124.770 127.242 -2.472 18832 3972 1 13 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.992 -0.282 18832 3973 1 13 . 1 1 62 62 ALA CA C 62 54.370 54.370 53.854 0.516 18832 3974 1 13 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.201 -0.551 18832 3975 1 13 . 1 1 62 62 ALA H H 62 7.898 7.898 8.343 -0.445 18832 3976 1 13 . 1 1 63 63 SER N N 63 109.700 109.700 114.415 -4.715 18832 3977 1 13 . 1 1 63 63 SER HA H 63 4.200 4.200 4.139 0.061 18832 3978 1 13 . 1 1 63 63 SER CA C 63 59.400 59.400 60.298 -0.898 18832 3979 1 13 . 1 1 63 63 SER CB C 63 62.380 62.380 62.933 -0.553 18832 3980 1 13 . 1 1 63 63 SER H H 63 8.030 8.030 8.331 -0.301 18832 3981 1 13 . 1 1 64 64 TYR N N 64 120.300 120.300 111.652 8.648 18832 3982 1 13 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.576 -0.326 18832 3983 1 13 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.357 3.363 18832 3984 1 13 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.205 0.355 18832 3985 1 13 . 1 1 64 64 TYR H H 64 7.128 7.128 6.940 0.188 18832 3986 1 13 . 1 1 65 65 ILE N N 65 118.000 118.000 121.822 -3.822 18832 3987 1 13 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.859 -0.049 18832 3988 1 13 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.624 -2.644 18832 3989 1 13 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.484 1.146 18832 3990 1 13 . 1 1 65 65 ILE H H 65 7.671 7.671 7.453 0.218 18832 3991 1 13 . 1 1 66 66 HIS N N 66 124.300 124.300 127.588 -3.288 18832 3992 1 13 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.941 0.189 18832 3993 1 13 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.903 -1.843 18832 3994 1 13 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.686 -2.176 18832 3995 1 13 . 1 1 66 66 HIS H H 66 9.159 9.159 9.165 -0.006 18832 3996 1 13 . 1 1 67 67 LEU N N 67 127.580 127.580 128.115 -0.535 18832 3997 1 13 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.310 0.260 18832 3998 1 13 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.218 -0.918 18832 3999 1 13 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.263 -0.202 18832 4000 1 13 . 1 1 67 67 LEU H H 67 8.992 8.992 8.599 0.393 18832 4001 1 13 . 1 1 68 68 LYS N N 68 121.900 121.900 122.005 -0.105 18832 4002 1 13 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.686 -0.196 18832 4003 1 13 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.540 0.570 18832 4004 1 13 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.759 -0.149 18832 4005 1 13 . 1 1 68 68 LYS H H 68 8.499 8.499 8.195 0.304 18832 4006 1 13 . 1 1 69 69 GLU N N 69 122.190 122.190 120.590 1.600 18832 4007 1 13 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.461 -0.181 18832 4008 1 13 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.043 1.567 18832 4009 1 13 . 1 1 69 69 GLU CB C 69 30.330 30.330 31.197 -0.867 18832 4010 1 13 . 1 1 69 69 GLU H H 69 8.569 8.569 8.674 -0.105 18832 4011 1 13 . 1 1 70 70 ALA N N 70 123.370 123.370 128.429 -5.059 18832 4012 1 13 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.079 0.121 18832 4013 1 13 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.420 -0.610 18832 4014 1 13 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.589 1.111 18832 4015 1 13 . 1 1 70 70 ALA H H 70 8.181 8.181 8.386 -0.205 18832 4016 1 13 . 1 1 71 71 ILE N N 71 120.080 120.080 124.489 -4.409 18832 4017 1 13 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.149 -0.079 18832 4018 1 13 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.205 -0.875 18832 4019 1 13 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.869 -0.179 18832 4020 1 13 . 1 1 71 71 ILE H H 71 7.776 7.776 8.037 -0.261 18832 4021 1 13 . 1 1 72 72 VAL N N 72 124.540 124.540 123.225 1.315 18832 4022 1 13 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.312 -0.242 18832 4023 1 13 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.707 -0.067 18832 4024 1 13 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.092 0.598 18832 4025 1 13 . 1 1 72 72 VAL H H 72 8.089 8.089 8.110 -0.021 18832 4026 1 13 . 1 1 73 73 GLU N N 73 125.940 125.940 126.509 -0.569 18832 4027 1 13 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.374 -0.094 18832 4028 1 13 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.469 0.141 18832 4029 1 13 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.348 0.362 18832 4030 1 13 . 1 1 73 73 GLU H H 73 8.464 8.464 8.770 -0.306 18832 4031 1 14 . 1 1 2 2 THR N N 2 116.400 116.400 115.992 0.408 18832 4032 1 14 . 1 1 2 2 THR HA H 2 4.120 4.120 4.533 -0.413 18832 4033 1 14 . 1 1 2 2 THR CA C 2 62.100 62.100 61.613 0.487 18832 4034 1 14 . 1 1 2 2 THR CB C 2 69.440 69.440 68.852 0.588 18832 4035 1 14 . 1 1 2 2 THR H H 2 8.150 8.150 8.334 -0.184 18832 4036 1 14 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.703 -0.393 18832 4037 1 14 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.235 0.515 18832 4038 1 14 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.381 -0.761 18832 4039 1 14 . 1 1 4 4 TRP N N 4 123.300 123.300 123.825 -0.525 18832 4040 1 14 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.982 -0.502 18832 4041 1 14 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.450 1.110 18832 4042 1 14 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.447 -0.957 18832 4043 1 14 . 1 1 4 4 TRP H H 4 8.108 8.108 8.731 -0.623 18832 4044 1 14 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.469 0.101 18832 4045 1 14 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.733 -1.893 18832 4046 1 14 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.324 0.486 18832 4047 1 14 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.314 -0.104 18832 4048 1 14 . 1 1 7 7 THR HA H 7 4.270 4.270 4.007 0.263 18832 4049 1 14 . 1 1 7 7 THR CA C 7 60.890 60.890 62.679 -1.789 18832 4050 1 14 . 1 1 7 7 THR CB C 7 70.140 70.140 68.781 1.359 18832 4051 1 14 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.244 0.196 18832 4052 1 14 . 1 1 8 8 LYS CA C 8 55.980 55.980 56.209 -0.229 18832 4053 1 14 . 1 1 8 8 LYS CB C 8 35.050 35.050 31.713 3.337 18832 4054 1 14 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.489 0.091 18832 4055 1 14 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.466 -0.896 18832 4056 1 14 . 1 1 10 10 GLU CB C 10 30.780 30.780 31.746 -0.966 18832 4057 1 14 . 1 1 11 11 GLU N N 11 122.500 122.500 122.803 -0.303 18832 4058 1 14 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.451 -0.111 18832 4059 1 14 . 1 1 11 11 GLU CA C 11 57.140 57.140 56.451 0.689 18832 4060 1 14 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.258 -0.858 18832 4061 1 14 . 1 1 11 11 GLU H H 11 8.271 8.271 8.761 -0.490 18832 4062 1 14 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.021 0.359 18832 4063 1 14 . 1 1 12 12 LYS CA C 12 55.790 55.790 55.780 0.010 18832 4064 1 14 . 1 1 12 12 LYS CB C 12 33.600 33.600 32.946 0.654 18832 4065 1 14 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.648 0.912 18832 4066 1 14 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.275 0.585 18832 4067 1 14 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.484 2.956 18832 4068 1 14 . 1 1 14 14 GLY N N 14 105.320 105.320 106.153 -0.833 18832 4069 1 14 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.425 1.815 18832 4070 1 14 . 1 1 14 14 GLY H H 14 8.401 8.401 8.982 -0.581 18832 4071 1 14 . 1 1 15 15 VAL N N 15 118.900 118.900 117.944 0.956 18832 4072 1 14 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.696 0.645 18832 4073 1 14 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.419 -1.209 18832 4074 1 14 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.471 0.269 18832 4075 1 14 . 1 1 15 15 VAL H H 15 8.851 8.851 8.743 0.108 18832 4076 1 14 . 1 1 16 16 ALA N N 16 129.460 129.460 126.564 2.896 18832 4077 1 14 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.121 -0.121 18832 4078 1 14 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.183 1.817 18832 4079 1 14 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.117 -1.787 18832 4080 1 14 . 1 1 16 16 ALA H H 16 9.113 9.113 8.466 0.647 18832 4081 1 14 . 1 1 17 17 PHE N N 17 124.070 124.070 120.442 3.628 18832 4082 1 14 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.912 -0.111 18832 4083 1 14 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.093 0.137 18832 4084 1 14 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.615 1.385 18832 4085 1 14 . 1 1 17 17 PHE H H 17 8.787 8.787 7.668 1.119 18832 4086 1 14 . 1 1 18 18 TYR N N 18 118.210 118.210 123.767 -5.557 18832 4087 1 14 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.432 0.051 18832 4088 1 14 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.429 -2.129 18832 4089 1 14 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.508 0.302 18832 4090 1 14 . 1 1 18 18 TYR H H 18 7.281 7.281 7.672 -0.391 18832 4091 1 14 . 1 1 19 19 ASN N N 19 116.800 116.800 118.904 -2.104 18832 4092 1 14 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.846 -0.136 18832 4093 1 14 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.651 0.289 18832 4094 1 14 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.797 0.263 18832 4095 1 14 . 1 1 19 19 ASN H H 19 8.134 8.134 8.499 -0.365 18832 4096 1 14 . 1 1 20 20 TYR N N 20 122.190 122.190 122.726 -0.536 18832 4097 1 14 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.444 0.243 18832 4098 1 14 . 1 1 20 20 TYR CA C 20 57.720 57.720 59.098 -1.378 18832 4099 1 14 . 1 1 20 20 TYR CB C 20 42.250 42.250 39.983 2.267 18832 4100 1 14 . 1 1 20 20 TYR H H 20 8.993 8.993 7.863 1.130 18832 4101 1 14 . 1 1 21 21 ASP N N 21 128.520 128.520 126.377 2.143 18832 4102 1 14 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.868 -0.078 18832 4103 1 14 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.691 -0.321 18832 4104 1 14 . 1 1 21 21 ASP CB C 21 41.130 41.130 41.835 -0.705 18832 4105 1 14 . 1 1 21 21 ASP H H 21 7.838 7.838 8.290 -0.452 18832 4106 1 14 . 1 1 22 22 ALA N N 22 125.240 125.240 125.925 -0.685 18832 4107 1 14 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.603 -0.552 18832 4108 1 14 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.132 -0.192 18832 4109 1 14 . 1 1 22 22 ALA CB C 22 20.450 20.450 20.061 0.389 18832 4110 1 14 . 1 1 22 22 ALA H H 22 8.103 8.103 8.761 -0.658 18832 4111 1 14 . 1 1 23 23 ARG N N 23 122.190 122.190 122.278 -0.088 18832 4112 1 14 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.522 -0.176 18832 4113 1 14 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.642 -0.152 18832 4114 1 14 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.221 0.479 18832 4115 1 14 . 1 1 23 23 ARG H H 23 8.887 8.887 8.614 0.273 18832 4116 1 14 . 1 1 24 24 GLY N N 24 105.320 105.320 106.592 -1.272 18832 4117 1 14 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.409 -0.909 18832 4118 1 14 . 1 1 24 24 GLY H H 24 7.258 7.258 7.542 -0.284 18832 4119 1 14 . 1 1 25 25 ALA N N 25 122.190 122.190 121.408 0.782 18832 4120 1 14 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.323 -0.157 18832 4121 1 14 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.847 0.593 18832 4122 1 14 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.418 -0.648 18832 4123 1 14 . 1 1 25 25 ALA H H 25 8.627 8.627 8.347 0.280 18832 4124 1 14 . 1 1 26 26 ASP N N 26 114.690 114.690 116.283 -1.593 18832 4125 1 14 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.395 0.305 18832 4126 1 14 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.184 -2.314 18832 4127 1 14 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.767 -0.377 18832 4128 1 14 . 1 1 26 26 ASP H H 26 8.955 8.955 8.648 0.307 18832 4129 1 14 . 1 1 27 27 GLU N N 27 118.910 118.910 116.102 2.808 18832 4130 1 14 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.575 0.627 18832 4131 1 14 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.558 -0.628 18832 4132 1 14 . 1 1 27 27 GLU CB C 27 32.880 32.880 33.160 -0.280 18832 4133 1 14 . 1 1 27 27 GLU H H 27 7.537 7.537 7.463 0.074 18832 4134 1 14 . 1 1 28 28 LEU N N 28 121.490 121.490 121.175 0.315 18832 4135 1 14 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.771 -0.015 18832 4136 1 14 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.748 -0.628 18832 4137 1 14 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.852 -0.352 18832 4138 1 14 . 1 1 28 28 LEU H H 28 8.890 8.890 8.551 0.339 18832 4139 1 14 . 1 1 29 29 SER N N 29 115.870 115.870 119.555 -3.685 18832 4140 1 14 . 1 1 29 29 SER HA H 29 5.009 5.009 4.706 0.303 18832 4141 1 14 . 1 1 29 29 SER CA C 29 58.470 58.470 58.692 -0.222 18832 4142 1 14 . 1 1 29 29 SER CB C 29 63.690 63.690 63.809 -0.119 18832 4143 1 14 . 1 1 29 29 SER H H 29 7.948 7.948 8.489 -0.541 18832 4144 1 14 . 1 1 30 30 LEU N N 30 121.260 121.260 125.563 -4.303 18832 4145 1 14 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.720 0.056 18832 4146 1 14 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.056 -1.116 18832 4147 1 14 . 1 1 30 30 LEU CB C 30 46.370 46.370 44.920 1.450 18832 4148 1 14 . 1 1 30 30 LEU H H 30 9.500 9.500 8.129 1.371 18832 4149 1 14 . 1 1 31 31 GLN N N 31 123.130 123.130 119.639 3.491 18832 4150 1 14 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.120 -0.055 18832 4151 1 14 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.570 -0.630 18832 4152 1 14 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.649 -1.459 18832 4153 1 14 . 1 1 31 31 GLN H H 31 9.147 9.147 8.479 0.667 18832 4154 1 14 . 1 1 32 32 ILE N N 32 120.790 120.790 120.699 0.091 18832 4155 1 14 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.236 -1.204 18832 4156 1 14 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.680 1.570 18832 4157 1 14 . 1 1 32 32 ILE CB C 32 37.940 37.940 38.131 -0.191 18832 4158 1 14 . 1 1 32 32 ILE H H 32 8.016 8.016 8.146 -0.130 18832 4159 1 14 . 1 1 33 33 GLY N N 33 115.870 115.870 114.552 1.318 18832 4160 1 14 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.745 -0.245 18832 4161 1 14 . 1 1 33 33 GLY H H 33 8.775 8.775 8.844 -0.069 18832 4162 1 14 . 1 1 34 34 ASP N N 34 122.430 122.430 122.013 0.417 18832 4163 1 14 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.933 -0.299 18832 4164 1 14 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.041 1.819 18832 4165 1 14 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.493 -1.183 18832 4166 1 14 . 1 1 34 34 ASP H H 34 8.686 8.686 7.762 0.924 18832 4167 1 14 . 1 1 35 35 THR N N 35 117.980 117.980 116.576 1.404 18832 4168 1 14 . 1 1 35 35 THR HA H 35 5.154 5.154 4.966 0.188 18832 4169 1 14 . 1 1 35 35 THR CA C 35 61.450 61.450 61.491 -0.041 18832 4170 1 14 . 1 1 35 35 THR CB C 35 69.090 69.090 70.093 -1.003 18832 4171 1 14 . 1 1 35 35 THR H H 35 8.392 8.392 8.390 0.002 18832 4172 1 14 . 1 1 36 36 VAL N N 36 118.200 118.200 116.403 1.797 18832 4173 1 14 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.566 0.586 18832 4174 1 14 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.179 -2.269 18832 4175 1 14 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.031 -0.841 18832 4176 1 14 . 1 1 36 36 VAL H H 36 9.016 9.016 9.077 -0.061 18832 4177 1 14 . 1 1 37 37 HIS N N 37 122.190 122.190 125.896 -3.706 18832 4178 1 14 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.887 -0.076 18832 4179 1 14 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.723 -1.163 18832 4180 1 14 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.708 0.552 18832 4181 1 14 . 1 1 37 37 HIS H H 37 8.491 8.491 8.306 0.185 18832 4182 1 14 . 1 1 38 38 ILE N N 38 126.650 126.650 127.702 -1.052 18832 4183 1 14 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.158 -0.408 18832 4184 1 14 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.497 -0.857 18832 4185 1 14 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.337 0.543 18832 4186 1 14 . 1 1 38 38 ILE H H 38 8.638 8.638 8.906 -0.268 18832 4187 1 14 . 1 1 39 39 LEU N N 39 126.180 126.180 124.217 1.963 18832 4188 1 14 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.803 -0.423 18832 4189 1 14 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.969 0.521 18832 4190 1 14 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.470 0.280 18832 4191 1 14 . 1 1 39 39 LEU H H 39 9.163 9.163 9.033 0.130 18832 4192 1 14 . 1 1 40 40 GLU N N 40 115.160 115.160 117.715 -2.555 18832 4193 1 14 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.561 0.459 18832 4194 1 14 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.354 -0.264 18832 4195 1 14 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.539 2.191 18832 4196 1 14 . 1 1 40 40 GLU H H 40 7.852 7.852 7.668 0.184 18832 4197 1 14 . 1 1 41 41 THR HA H 41 4.270 4.270 4.590 -0.320 18832 4198 1 14 . 1 1 41 41 THR CA C 41 61.250 61.250 60.628 0.622 18832 4199 1 14 . 1 1 41 41 THR CB C 41 71.410 71.410 70.237 1.173 18832 4200 1 14 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.219 0.331 18832 4201 1 14 . 1 1 43 43 GLU N N 43 124.100 124.100 119.562 4.538 18832 4202 1 14 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.190 -0.450 18832 4203 1 14 . 1 1 43 43 GLU H H 43 8.590 8.590 8.526 0.064 18832 4204 1 14 . 1 1 44 44 GLY N N 44 110.789 110.789 111.500 -0.711 18832 4205 1 14 . 1 1 44 44 GLY CA C 44 45.440 45.440 44.964 0.476 18832 4206 1 14 . 1 1 44 44 GLY H H 44 8.432 8.432 8.486 -0.054 18832 4207 1 14 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.623 0.067 18832 4208 1 14 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.405 1.145 18832 4209 1 14 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.722 0.878 18832 4210 1 14 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.930 -0.870 18832 4211 1 14 . 1 1 46 46 TYR CB C 46 42.650 42.650 40.850 1.800 18832 4212 1 14 . 1 1 47 47 ARG N N 47 118.100 118.100 120.497 -2.397 18832 4213 1 14 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.020 0.074 18832 4214 1 14 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.069 -0.009 18832 4215 1 14 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.278 -1.028 18832 4216 1 14 . 1 1 47 47 ARG H H 47 8.492 8.492 8.195 0.297 18832 4217 1 14 . 1 1 48 48 GLY N N 48 114.000 114.000 110.566 3.434 18832 4218 1 14 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.863 0.697 18832 4219 1 14 . 1 1 48 48 GLY H H 48 9.183 9.183 8.887 0.296 18832 4220 1 14 . 1 1 49 49 TYR N N 49 116.100 116.100 115.209 0.891 18832 4221 1 14 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.286 0.087 18832 4222 1 14 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.507 -0.397 18832 4223 1 14 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.258 0.492 18832 4224 1 14 . 1 1 49 49 TYR H H 49 8.194 8.194 7.962 0.232 18832 4225 1 14 . 1 1 50 50 THR N N 50 112.350 112.350 115.886 -3.536 18832 4226 1 14 . 1 1 50 50 THR HA H 50 5.105 5.105 4.474 0.631 18832 4227 1 14 . 1 1 50 50 THR CA C 50 59.770 59.770 61.745 -1.975 18832 4228 1 14 . 1 1 50 50 THR CB C 50 69.460 69.460 69.831 -0.371 18832 4229 1 14 . 1 1 50 50 THR H H 50 9.441 9.441 8.575 0.866 18832 4230 1 14 . 1 1 51 51 LEU N N 51 121.260 121.260 120.463 0.797 18832 4231 1 14 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.143 0.093 18832 4232 1 14 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.602 0.188 18832 4233 1 14 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.158 -1.158 18832 4234 1 14 . 1 1 51 51 LEU H H 51 8.310 8.310 8.202 0.108 18832 4235 1 14 . 1 1 52 52 ARG N N 52 116.570 116.570 118.207 -1.637 18832 4236 1 14 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.134 0.116 18832 4237 1 14 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.477 -1.127 18832 4238 1 14 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.735 -0.225 18832 4239 1 14 . 1 1 52 52 ARG H H 52 8.047 8.047 8.245 -0.198 18832 4240 1 14 . 1 1 53 53 LYS N N 53 122.660 122.660 117.675 4.985 18832 4241 1 14 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.519 0.097 18832 4242 1 14 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.677 -1.057 18832 4243 1 14 . 1 1 53 53 LYS CB C 53 32.860 32.860 32.350 0.510 18832 4244 1 14 . 1 1 53 53 LYS H H 53 7.649 7.649 7.897 -0.248 18832 4245 1 14 . 1 1 54 54 LYS N N 54 125.010 125.010 120.985 4.025 18832 4246 1 14 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.180 -0.090 18832 4247 1 14 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.724 -0.254 18832 4248 1 14 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.576 -0.446 18832 4249 1 14 . 1 1 54 54 LYS H H 54 8.496 8.496 8.593 -0.097 18832 4250 1 14 . 1 1 55 55 SER N N 55 110.240 110.240 113.282 -3.042 18832 4251 1 14 . 1 1 55 55 SER HA H 55 4.122 4.122 4.169 -0.047 18832 4252 1 14 . 1 1 55 55 SER CA C 55 58.960 58.960 59.415 -0.455 18832 4253 1 14 . 1 1 55 55 SER CB C 55 63.310 63.310 63.308 0.002 18832 4254 1 14 . 1 1 55 55 SER H H 55 7.857 7.857 8.179 -0.322 18832 4255 1 14 . 1 1 56 56 LYS N N 56 124.070 124.070 122.051 2.019 18832 4256 1 14 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.329 0.339 18832 4257 1 14 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.162 -1.352 18832 4258 1 14 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.347 -0.097 18832 4259 1 14 . 1 1 56 56 LYS H H 56 7.473 7.473 7.838 -0.365 18832 4260 1 14 . 1 1 57 57 LYS N N 57 125.940 125.940 121.794 4.146 18832 4261 1 14 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.992 0.349 18832 4262 1 14 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.680 -0.060 18832 4263 1 14 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.756 -2.516 18832 4264 1 14 . 1 1 57 57 LYS H H 57 8.474 8.474 8.242 0.232 18832 4265 1 14 . 1 1 58 58 GLY N N 58 109.540 109.540 107.778 1.762 18832 4266 1 14 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.148 0.472 18832 4267 1 14 . 1 1 58 58 GLY H H 58 9.075 9.075 8.631 0.444 18832 4268 1 14 . 1 1 59 59 ILE N N 59 113.900 113.900 115.639 -1.739 18832 4269 1 14 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.992 1.008 18832 4270 1 14 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.338 1.252 18832 4271 1 14 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.620 0.520 18832 4272 1 14 . 1 1 59 59 ILE H H 59 8.628 8.628 8.154 0.474 18832 4273 1 14 . 1 1 60 60 PHE N N 60 117.040 117.040 117.235 -0.195 18832 4274 1 14 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.322 -0.202 18832 4275 1 14 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.792 -0.732 18832 4276 1 14 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.340 -2.150 18832 4277 1 14 . 1 1 60 60 PHE H H 60 8.724 8.724 8.366 0.358 18832 4278 1 14 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.734 -1.254 18832 4279 1 14 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.169 0.031 18832 4280 1 14 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.589 -1.399 18832 4281 1 14 . 1 1 62 62 ALA N N 62 124.770 124.770 126.473 -1.703 18832 4282 1 14 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.961 -0.251 18832 4283 1 14 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.425 -0.055 18832 4284 1 14 . 1 1 62 62 ALA CB C 62 17.650 17.650 17.991 -0.341 18832 4285 1 14 . 1 1 62 62 ALA H H 62 7.898 7.898 8.293 -0.395 18832 4286 1 14 . 1 1 63 63 SER N N 63 109.700 109.700 115.194 -5.494 18832 4287 1 14 . 1 1 63 63 SER HA H 63 4.200 4.200 4.264 -0.064 18832 4288 1 14 . 1 1 63 63 SER CA C 63 59.400 59.400 60.748 -1.348 18832 4289 1 14 . 1 1 63 63 SER CB C 63 62.380 62.380 63.063 -0.683 18832 4290 1 14 . 1 1 63 63 SER H H 63 8.030 8.030 8.605 -0.575 18832 4291 1 14 . 1 1 64 64 TYR N N 64 120.300 120.300 113.109 7.191 18832 4292 1 14 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.604 -0.354 18832 4293 1 14 . 1 1 64 64 TYR CA C 64 57.720 57.720 55.251 2.469 18832 4294 1 14 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.206 0.354 18832 4295 1 14 . 1 1 64 64 TYR H H 64 7.128 7.128 7.057 0.071 18832 4296 1 14 . 1 1 65 65 ILE N N 65 118.000 118.000 120.881 -2.881 18832 4297 1 14 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.943 -0.133 18832 4298 1 14 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.197 -2.217 18832 4299 1 14 . 1 1 65 65 ILE CB C 65 39.630 39.630 40.321 -0.691 18832 4300 1 14 . 1 1 65 65 ILE H H 65 7.671 7.671 7.543 0.128 18832 4301 1 14 . 1 1 66 66 HIS N N 66 124.300 124.300 126.679 -2.379 18832 4302 1 14 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.977 0.153 18832 4303 1 14 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.371 -1.311 18832 4304 1 14 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.233 -2.723 18832 4305 1 14 . 1 1 66 66 HIS H H 66 9.159 9.159 8.654 0.505 18832 4306 1 14 . 1 1 67 67 LEU N N 67 127.580 127.580 128.604 -1.024 18832 4307 1 14 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.431 0.139 18832 4308 1 14 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.941 -0.640 18832 4309 1 14 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.458 -0.398 18832 4310 1 14 . 1 1 67 67 LEU H H 67 8.992 8.992 8.879 0.114 18832 4311 1 14 . 1 1 68 68 LYS N N 68 121.900 121.900 124.304 -2.404 18832 4312 1 14 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.665 -0.175 18832 4313 1 14 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.267 0.842 18832 4314 1 14 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.810 0.800 18832 4315 1 14 . 1 1 68 68 LYS H H 68 8.499 8.499 8.348 0.151 18832 4316 1 14 . 1 1 69 69 GLU N N 69 122.190 122.190 119.799 2.391 18832 4317 1 14 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.385 -0.105 18832 4318 1 14 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.879 0.731 18832 4319 1 14 . 1 1 69 69 GLU CB C 69 30.330 30.330 30.311 0.020 18832 4320 1 14 . 1 1 69 69 GLU H H 69 8.569 8.569 8.397 0.172 18832 4321 1 14 . 1 1 70 70 ALA N N 70 123.370 123.370 121.287 2.083 18832 4322 1 14 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.548 -0.348 18832 4323 1 14 . 1 1 70 70 ALA CA C 70 51.810 51.810 50.934 0.876 18832 4324 1 14 . 1 1 70 70 ALA CB C 70 19.700 19.700 20.167 -0.467 18832 4325 1 14 . 1 1 70 70 ALA H H 70 8.181 8.181 8.058 0.123 18832 4326 1 14 . 1 1 71 71 ILE N N 71 120.080 120.080 118.337 1.743 18832 4327 1 14 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.544 -0.474 18832 4328 1 14 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.524 -0.194 18832 4329 1 14 . 1 1 71 71 ILE CB C 71 38.690 38.690 36.586 2.104 18832 4330 1 14 . 1 1 71 71 ILE H H 71 7.776 7.776 8.345 -0.569 18832 4331 1 14 . 1 1 72 72 VAL N N 72 124.540 124.540 123.347 1.193 18832 4332 1 14 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.411 -0.341 18832 4333 1 14 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.849 -0.209 18832 4334 1 14 . 1 1 72 72 VAL CB C 72 32.690 32.690 31.753 0.936 18832 4335 1 14 . 1 1 72 72 VAL H H 72 8.089 8.089 8.257 -0.168 18832 4336 1 14 . 1 1 73 73 GLU N N 73 125.940 125.940 127.121 -1.181 18832 4337 1 14 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.603 -0.323 18832 4338 1 14 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.921 0.689 18832 4339 1 14 . 1 1 73 73 GLU CB C 73 30.710 30.710 31.211 -0.501 18832 4340 1 14 . 1 1 73 73 GLU H H 73 8.464 8.464 8.579 -0.116 18832 4341 1 15 . 1 1 2 2 THR N N 2 116.400 116.400 115.612 0.788 18832 4342 1 15 . 1 1 2 2 THR HA H 2 4.120 4.120 4.637 -0.517 18832 4343 1 15 . 1 1 2 2 THR CA C 2 62.100 62.100 61.766 0.334 18832 4344 1 15 . 1 1 2 2 THR CB C 2 69.440 69.440 69.730 -0.290 18832 4345 1 15 . 1 1 2 2 THR H H 2 8.150 8.150 8.349 -0.199 18832 4346 1 15 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.499 -0.189 18832 4347 1 15 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.547 0.203 18832 4348 1 15 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.314 -0.694 18832 4349 1 15 . 1 1 4 4 TRP N N 4 123.300 123.300 121.881 1.419 18832 4350 1 15 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.501 -0.021 18832 4351 1 15 . 1 1 4 4 TRP CA C 4 57.560 57.560 57.207 0.353 18832 4352 1 15 . 1 1 4 4 TRP CB C 4 29.490 29.490 29.349 0.141 18832 4353 1 15 . 1 1 4 4 TRP H H 4 8.108 8.108 8.456 -0.348 18832 4354 1 15 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.133 0.437 18832 4355 1 15 . 1 1 5 5 VAL CB C 5 30.840 30.840 31.649 -0.809 18832 4356 1 15 . 1 1 6 6 PRO HA H 6 4.810 4.810 5.041 -0.231 18832 4357 1 15 . 1 1 6 6 PRO CB C 6 32.210 32.210 33.285 -1.075 18832 4358 1 15 . 1 1 7 7 THR HA H 7 4.270 4.270 4.499 -0.229 18832 4359 1 15 . 1 1 7 7 THR CA C 7 60.890 60.890 61.407 -0.517 18832 4360 1 15 . 1 1 7 7 THR CB C 7 70.140 70.140 68.511 1.629 18832 4361 1 15 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.410 0.030 18832 4362 1 15 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.401 0.579 18832 4363 1 15 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.828 1.222 18832 4364 1 15 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.329 0.251 18832 4365 1 15 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.222 -0.652 18832 4366 1 15 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.433 0.347 18832 4367 1 15 . 1 1 11 11 GLU N N 11 122.500 122.500 118.392 4.108 18832 4368 1 15 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.031 0.309 18832 4369 1 15 . 1 1 11 11 GLU CA C 11 57.140 57.140 57.465 -0.325 18832 4370 1 15 . 1 1 11 11 GLU CB C 11 29.400 29.400 29.013 0.387 18832 4371 1 15 . 1 1 11 11 GLU H H 11 8.271 8.271 8.582 -0.311 18832 4372 1 15 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.209 0.171 18832 4373 1 15 . 1 1 12 12 LYS CA C 12 55.790 55.790 55.156 0.634 18832 4374 1 15 . 1 1 12 12 LYS CB C 12 33.600 33.600 35.219 -1.619 18832 4375 1 15 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.756 0.804 18832 4376 1 15 . 1 1 13 13 TYR CA C 13 55.860 55.860 54.612 1.248 18832 4377 1 15 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.738 2.702 18832 4378 1 15 . 1 1 14 14 GLY N N 14 105.320 105.320 105.353 -0.033 18832 4379 1 15 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.159 1.081 18832 4380 1 15 . 1 1 14 14 GLY H H 14 8.401 8.401 8.374 0.027 18832 4381 1 15 . 1 1 15 15 VAL N N 15 118.900 118.900 118.726 0.174 18832 4382 1 15 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.618 0.723 18832 4383 1 15 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.974 -1.764 18832 4384 1 15 . 1 1 15 15 VAL CB C 15 35.740 35.740 34.078 1.662 18832 4385 1 15 . 1 1 15 15 VAL H H 15 8.851 8.851 8.817 0.034 18832 4386 1 15 . 1 1 16 16 ALA N N 16 129.460 129.460 127.169 2.291 18832 4387 1 15 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.747 0.253 18832 4388 1 15 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.231 1.769 18832 4389 1 15 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.720 -1.390 18832 4390 1 15 . 1 1 16 16 ALA H H 16 9.113 9.113 8.579 0.534 18832 4391 1 15 . 1 1 17 17 PHE N N 17 124.070 124.070 122.068 2.002 18832 4392 1 15 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.993 -0.192 18832 4393 1 15 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.085 0.145 18832 4394 1 15 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.153 1.847 18832 4395 1 15 . 1 1 17 17 PHE H H 17 8.787 8.787 7.400 1.387 18832 4396 1 15 . 1 1 18 18 TYR N N 18 118.210 118.210 124.390 -6.180 18832 4397 1 15 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.481 0.002 18832 4398 1 15 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.904 -2.604 18832 4399 1 15 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.988 -0.178 18832 4400 1 15 . 1 1 18 18 TYR H H 18 7.281 7.281 7.603 -0.322 18832 4401 1 15 . 1 1 19 19 ASN N N 19 116.800 116.800 120.984 -4.184 18832 4402 1 15 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.812 -0.102 18832 4403 1 15 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.708 0.232 18832 4404 1 15 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.434 0.625 18832 4405 1 15 . 1 1 19 19 ASN H H 19 8.134 8.134 7.786 0.348 18832 4406 1 15 . 1 1 20 20 TYR N N 20 122.190 122.190 122.932 -0.742 18832 4407 1 15 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.631 0.056 18832 4408 1 15 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.577 -0.857 18832 4409 1 15 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.164 2.086 18832 4410 1 15 . 1 1 20 20 TYR H H 20 8.993 8.993 8.094 0.899 18832 4411 1 15 . 1 1 21 21 ASP N N 21 128.520 128.520 127.856 0.664 18832 4412 1 15 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.866 -0.076 18832 4413 1 15 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.768 -0.398 18832 4414 1 15 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.560 -1.430 18832 4415 1 15 . 1 1 21 21 ASP H H 21 7.838 7.838 8.400 -0.562 18832 4416 1 15 . 1 1 22 22 ALA N N 22 125.240 125.240 126.463 -1.223 18832 4417 1 15 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.523 -0.472 18832 4418 1 15 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.805 0.135 18832 4419 1 15 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.868 0.582 18832 4420 1 15 . 1 1 22 22 ALA H H 22 8.103 8.103 8.595 -0.492 18832 4421 1 15 . 1 1 23 23 ARG N N 23 122.190 122.190 123.797 -1.607 18832 4422 1 15 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.291 0.055 18832 4423 1 15 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.289 -1.800 18832 4424 1 15 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.929 -0.229 18832 4425 1 15 . 1 1 23 23 ARG H H 23 8.887 8.887 9.008 -0.121 18832 4426 1 15 . 1 1 24 24 GLY N N 24 105.320 105.320 105.160 0.160 18832 4427 1 15 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.123 -0.623 18832 4428 1 15 . 1 1 24 24 GLY H H 24 7.258 7.258 7.512 -0.254 18832 4429 1 15 . 1 1 25 25 ALA N N 25 122.190 122.190 121.363 0.827 18832 4430 1 15 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.273 -0.107 18832 4431 1 15 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.756 0.684 18832 4432 1 15 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.168 -0.398 18832 4433 1 15 . 1 1 25 25 ALA H H 25 8.627 8.627 8.393 0.234 18832 4434 1 15 . 1 1 26 26 ASP N N 26 114.690 114.690 117.334 -2.644 18832 4435 1 15 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.411 0.289 18832 4436 1 15 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.139 -2.269 18832 4437 1 15 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.832 -0.442 18832 4438 1 15 . 1 1 26 26 ASP H H 26 8.955 8.955 8.487 0.468 18832 4439 1 15 . 1 1 27 27 GLU N N 27 118.910 118.910 115.713 3.197 18832 4440 1 15 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.518 0.684 18832 4441 1 15 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.554 -0.624 18832 4442 1 15 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.682 0.198 18832 4443 1 15 . 1 1 27 27 GLU H H 27 7.537 7.537 7.517 0.020 18832 4444 1 15 . 1 1 28 28 LEU N N 28 121.490 121.490 122.487 -0.997 18832 4445 1 15 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.683 0.073 18832 4446 1 15 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.791 -0.671 18832 4447 1 15 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.473 0.027 18832 4448 1 15 . 1 1 28 28 LEU H H 28 8.890 8.890 8.473 0.417 18832 4449 1 15 . 1 1 29 29 SER N N 29 115.870 115.870 119.490 -3.620 18832 4450 1 15 . 1 1 29 29 SER HA H 29 5.009 5.009 4.723 0.286 18832 4451 1 15 . 1 1 29 29 SER CA C 29 58.470 58.470 58.591 -0.121 18832 4452 1 15 . 1 1 29 29 SER CB C 29 63.690 63.690 63.810 -0.120 18832 4453 1 15 . 1 1 29 29 SER H H 29 7.948 7.948 8.515 -0.567 18832 4454 1 15 . 1 1 30 30 LEU N N 30 121.260 121.260 126.171 -4.911 18832 4455 1 15 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.701 0.075 18832 4456 1 15 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.126 -1.186 18832 4457 1 15 . 1 1 30 30 LEU CB C 30 46.370 46.370 44.934 1.436 18832 4458 1 15 . 1 1 30 30 LEU H H 30 9.500 9.500 8.294 1.206 18832 4459 1 15 . 1 1 31 31 GLN N N 31 123.130 123.130 120.433 2.697 18832 4460 1 15 . 1 1 31 31 GLN HA H 31 5.065 5.065 4.865 0.200 18832 4461 1 15 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.857 -0.917 18832 4462 1 15 . 1 1 31 31 GLN CB C 31 31.190 31.190 31.896 -0.706 18832 4463 1 15 . 1 1 31 31 GLN H H 31 9.147 9.147 8.525 0.622 18832 4464 1 15 . 1 1 32 32 ILE N N 32 120.790 120.790 123.161 -2.371 18832 4465 1 15 . 1 1 32 32 ILE HA H 32 3.032 3.032 3.979 -0.947 18832 4466 1 15 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.287 0.963 18832 4467 1 15 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.313 0.627 18832 4468 1 15 . 1 1 32 32 ILE H H 32 8.016 8.016 8.727 -0.711 18832 4469 1 15 . 1 1 33 33 GLY N N 33 115.870 115.870 115.991 -0.121 18832 4470 1 15 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.675 -0.175 18832 4471 1 15 . 1 1 33 33 GLY H H 33 8.775 8.775 8.940 -0.165 18832 4472 1 15 . 1 1 34 34 ASP N N 34 122.430 122.430 122.318 0.112 18832 4473 1 15 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.952 -0.318 18832 4474 1 15 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.943 1.917 18832 4475 1 15 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.297 -0.987 18832 4476 1 15 . 1 1 34 34 ASP H H 34 8.686 8.686 7.974 0.712 18832 4477 1 15 . 1 1 35 35 THR N N 35 117.980 117.980 117.236 0.744 18832 4478 1 15 . 1 1 35 35 THR HA H 35 5.154 5.154 5.209 -0.055 18832 4479 1 15 . 1 1 35 35 THR CA C 35 61.450 61.450 61.416 0.034 18832 4480 1 15 . 1 1 35 35 THR CB C 35 69.090 69.090 70.033 -0.943 18832 4481 1 15 . 1 1 35 35 THR H H 35 8.392 8.392 8.421 -0.029 18832 4482 1 15 . 1 1 36 36 VAL N N 36 118.200 118.200 116.667 1.533 18832 4483 1 15 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.628 0.524 18832 4484 1 15 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.343 -2.433 18832 4485 1 15 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.899 -0.709 18832 4486 1 15 . 1 1 36 36 VAL H H 36 9.016 9.016 9.069 -0.053 18832 4487 1 15 . 1 1 37 37 HIS N N 37 122.190 122.190 125.810 -3.620 18832 4488 1 15 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.886 -0.075 18832 4489 1 15 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.142 -1.581 18832 4490 1 15 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.067 1.193 18832 4491 1 15 . 1 1 37 37 HIS H H 37 8.491 8.491 8.721 -0.230 18832 4492 1 15 . 1 1 38 38 ILE N N 38 126.650 126.650 126.343 0.307 18832 4493 1 15 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.121 -0.371 18832 4494 1 15 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.597 -0.957 18832 4495 1 15 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.142 0.737 18832 4496 1 15 . 1 1 38 38 ILE H H 38 8.638 8.638 8.466 0.172 18832 4497 1 15 . 1 1 39 39 LEU N N 39 126.180 126.180 121.987 4.193 18832 4498 1 15 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.991 -0.611 18832 4499 1 15 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.960 0.530 18832 4500 1 15 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.927 -0.177 18832 4501 1 15 . 1 1 39 39 LEU H H 39 9.163 9.163 8.999 0.164 18832 4502 1 15 . 1 1 40 40 GLU N N 40 115.160 115.160 118.676 -3.516 18832 4503 1 15 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.710 0.310 18832 4504 1 15 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.463 -0.373 18832 4505 1 15 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.377 1.353 18832 4506 1 15 . 1 1 40 40 GLU H H 40 7.852 7.852 7.893 -0.041 18832 4507 1 15 . 1 1 41 41 THR HA H 41 4.270 4.270 4.456 -0.186 18832 4508 1 15 . 1 1 41 41 THR CA C 41 61.250 61.250 59.402 1.848 18832 4509 1 15 . 1 1 41 41 THR CB C 41 71.410 71.410 70.124 1.287 18832 4510 1 15 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.324 0.226 18832 4511 1 15 . 1 1 43 43 GLU N N 43 124.100 124.100 119.991 4.109 18832 4512 1 15 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.136 -0.396 18832 4513 1 15 . 1 1 43 43 GLU H H 43 8.590 8.590 7.897 0.693 18832 4514 1 15 . 1 1 44 44 GLY N N 44 110.789 110.789 108.095 2.694 18832 4515 1 15 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.218 0.222 18832 4516 1 15 . 1 1 44 44 GLY H H 44 8.432 8.432 8.475 -0.043 18832 4517 1 15 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.837 -0.147 18832 4518 1 15 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.153 1.397 18832 4519 1 15 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.824 0.776 18832 4520 1 15 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.778 -0.718 18832 4521 1 15 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.398 1.252 18832 4522 1 15 . 1 1 47 47 ARG N N 47 118.100 118.100 121.553 -3.453 18832 4523 1 15 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.085 0.009 18832 4524 1 15 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.312 -0.252 18832 4525 1 15 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.956 -0.707 18832 4526 1 15 . 1 1 47 47 ARG H H 47 8.492 8.492 8.705 -0.213 18832 4527 1 15 . 1 1 48 48 GLY N N 48 114.000 114.000 111.523 2.477 18832 4528 1 15 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.686 0.874 18832 4529 1 15 . 1 1 48 48 GLY H H 48 9.183 9.183 8.794 0.389 18832 4530 1 15 . 1 1 49 49 TYR N N 49 116.100 116.100 115.540 0.560 18832 4531 1 15 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.167 0.206 18832 4532 1 15 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.391 -0.281 18832 4533 1 15 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.555 0.195 18832 4534 1 15 . 1 1 49 49 TYR H H 49 8.194 8.194 7.960 0.234 18832 4535 1 15 . 1 1 50 50 THR N N 50 112.350 112.350 116.044 -3.694 18832 4536 1 15 . 1 1 50 50 THR HA H 50 5.105 5.105 4.552 0.553 18832 4537 1 15 . 1 1 50 50 THR CA C 50 59.770 59.770 61.525 -1.755 18832 4538 1 15 . 1 1 50 50 THR CB C 50 69.460 69.460 69.733 -0.273 18832 4539 1 15 . 1 1 50 50 THR H H 50 9.441 9.441 8.879 0.562 18832 4540 1 15 . 1 1 51 51 LEU N N 51 121.260 121.260 121.519 -0.259 18832 4541 1 15 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.111 0.126 18832 4542 1 15 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.427 -0.637 18832 4543 1 15 . 1 1 51 51 LEU CB C 51 40.000 40.000 40.903 -0.903 18832 4544 1 15 . 1 1 51 51 LEU H H 51 8.310 8.310 8.267 0.043 18832 4545 1 15 . 1 1 52 52 ARG N N 52 116.570 116.570 117.871 -1.301 18832 4546 1 15 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.202 0.048 18832 4547 1 15 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.987 -0.637 18832 4548 1 15 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.521 -0.011 18832 4549 1 15 . 1 1 52 52 ARG H H 52 8.047 8.047 8.407 -0.360 18832 4550 1 15 . 1 1 53 53 LYS N N 53 122.660 122.660 119.451 3.209 18832 4551 1 15 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.588 0.028 18832 4552 1 15 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.896 -1.276 18832 4553 1 15 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.047 1.813 18832 4554 1 15 . 1 1 53 53 LYS H H 53 7.649 7.649 8.185 -0.536 18832 4555 1 15 . 1 1 54 54 LYS N N 54 125.010 125.010 122.684 2.326 18832 4556 1 15 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.271 -0.181 18832 4557 1 15 . 1 1 54 54 LYS CA C 54 58.470 58.470 59.240 -0.770 18832 4558 1 15 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.414 -0.284 18832 4559 1 15 . 1 1 54 54 LYS H H 54 8.496 8.496 7.886 0.610 18832 4560 1 15 . 1 1 55 55 SER N N 55 110.240 110.240 113.688 -3.448 18832 4561 1 15 . 1 1 55 55 SER HA H 55 4.122 4.122 4.200 -0.078 18832 4562 1 15 . 1 1 55 55 SER CA C 55 58.960 58.960 60.292 -1.332 18832 4563 1 15 . 1 1 55 55 SER CB C 55 63.310 63.310 63.094 0.216 18832 4564 1 15 . 1 1 55 55 SER H H 55 7.857 7.857 8.364 -0.507 18832 4565 1 15 . 1 1 56 56 LYS N N 56 124.070 124.070 121.770 2.300 18832 4566 1 15 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.345 0.323 18832 4567 1 15 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.207 -1.397 18832 4568 1 15 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.758 -0.507 18832 4569 1 15 . 1 1 56 56 LYS H H 56 7.473 7.473 7.381 0.092 18832 4570 1 15 . 1 1 57 57 LYS N N 57 125.940 125.940 118.965 6.975 18832 4571 1 15 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.965 0.376 18832 4572 1 15 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.835 -0.215 18832 4573 1 15 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.534 -2.294 18832 4574 1 15 . 1 1 57 57 LYS H H 57 8.474 8.474 8.151 0.323 18832 4575 1 15 . 1 1 58 58 GLY N N 58 109.540 109.540 108.753 0.787 18832 4576 1 15 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.303 0.317 18832 4577 1 15 . 1 1 58 58 GLY H H 58 9.075 9.075 8.678 0.397 18832 4578 1 15 . 1 1 59 59 ILE N N 59 113.900 113.900 114.951 -1.051 18832 4579 1 15 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.961 1.039 18832 4580 1 15 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.672 0.918 18832 4581 1 15 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.236 -0.096 18832 4582 1 15 . 1 1 59 59 ILE H H 59 8.628 8.628 7.955 0.673 18832 4583 1 15 . 1 1 60 60 PHE N N 60 117.040 117.040 114.877 2.163 18832 4584 1 15 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.303 -0.183 18832 4585 1 15 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.152 -1.092 18832 4586 1 15 . 1 1 60 60 PHE CB C 60 37.190 37.190 38.979 -1.789 18832 4587 1 15 . 1 1 60 60 PHE H H 60 8.724 8.724 8.148 0.576 18832 4588 1 15 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.691 -1.211 18832 4589 1 15 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.446 -0.245 18832 4590 1 15 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.637 -1.447 18832 4591 1 15 . 1 1 62 62 ALA N N 62 124.770 124.770 125.563 -0.793 18832 4592 1 15 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.124 -0.414 18832 4593 1 15 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.428 -0.058 18832 4594 1 15 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.117 -0.467 18832 4595 1 15 . 1 1 62 62 ALA H H 62 7.898 7.898 8.324 -0.426 18832 4596 1 15 . 1 1 63 63 SER N N 63 109.700 109.700 112.401 -2.701 18832 4597 1 15 . 1 1 63 63 SER HA H 63 4.200 4.200 4.287 -0.087 18832 4598 1 15 . 1 1 63 63 SER CA C 63 59.400 59.400 59.046 0.354 18832 4599 1 15 . 1 1 63 63 SER CB C 63 62.380 62.380 62.366 0.014 18832 4600 1 15 . 1 1 63 63 SER H H 63 8.030 8.030 8.227 -0.197 18832 4601 1 15 . 1 1 64 64 TYR N N 64 120.300 120.300 118.076 2.224 18832 4602 1 15 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.404 -0.154 18832 4603 1 15 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.579 1.141 18832 4604 1 15 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.894 -1.334 18832 4605 1 15 . 1 1 64 64 TYR H H 64 7.128 7.128 7.413 -0.285 18832 4606 1 15 . 1 1 65 65 ILE N N 65 118.000 118.000 118.403 -0.403 18832 4607 1 15 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.617 0.193 18832 4608 1 15 . 1 1 65 65 ILE CA C 65 56.980 56.980 58.633 -1.653 18832 4609 1 15 . 1 1 65 65 ILE CB C 65 39.630 39.630 41.357 -1.727 18832 4610 1 15 . 1 1 65 65 ILE H H 65 7.671 7.671 7.247 0.424 18832 4611 1 15 . 1 1 66 66 HIS N N 66 124.300 124.300 122.309 1.991 18832 4612 1 15 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.831 0.299 18832 4613 1 15 . 1 1 66 66 HIS CA C 66 53.060 53.060 55.065 -2.005 18832 4614 1 15 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.816 -2.306 18832 4615 1 15 . 1 1 66 66 HIS H H 66 9.159 9.159 8.648 0.511 18832 4616 1 15 . 1 1 67 67 LEU N N 67 127.580 127.580 127.598 -0.018 18832 4617 1 15 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.257 0.313 18832 4618 1 15 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.602 -0.302 18832 4619 1 15 . 1 1 67 67 LEU CB C 67 42.060 42.060 40.772 1.288 18832 4620 1 15 . 1 1 67 67 LEU H H 67 8.992 8.992 8.557 0.435 18832 4621 1 15 . 1 1 68 68 LYS N N 68 121.900 121.900 125.566 -3.666 18832 4622 1 15 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.556 -0.066 18832 4623 1 15 . 1 1 68 68 LYS CA C 68 55.110 55.110 53.561 1.549 18832 4624 1 15 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.639 -0.029 18832 4625 1 15 . 1 1 68 68 LYS H H 68 8.499 8.499 8.099 0.400 18832 4626 1 15 . 1 1 69 69 GLU N N 69 122.190 122.190 120.722 1.468 18832 4627 1 15 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.330 -0.050 18832 4628 1 15 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.320 1.290 18832 4629 1 15 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.708 0.622 18832 4630 1 15 . 1 1 69 69 GLU H H 69 8.569 8.569 8.599 -0.030 18832 4631 1 15 . 1 1 70 70 ALA N N 70 123.370 123.370 128.144 -4.774 18832 4632 1 15 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.013 0.187 18832 4633 1 15 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.250 -0.440 18832 4634 1 15 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.651 1.049 18832 4635 1 15 . 1 1 70 70 ALA H H 70 8.181 8.181 8.166 0.015 18832 4636 1 15 . 1 1 71 71 ILE N N 71 120.080 120.080 124.054 -3.974 18832 4637 1 15 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.120 -0.050 18832 4638 1 15 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.836 -1.506 18832 4639 1 15 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.599 0.091 18832 4640 1 15 . 1 1 71 71 ILE H H 71 7.776 7.776 8.356 -0.580 18832 4641 1 15 . 1 1 72 72 VAL N N 72 124.540 124.540 124.078 0.462 18832 4642 1 15 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.488 -0.418 18832 4643 1 15 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.123 -0.483 18832 4644 1 15 . 1 1 72 72 VAL CB C 72 32.690 32.690 31.403 1.287 18832 4645 1 15 . 1 1 72 72 VAL H H 72 8.089 8.089 8.305 -0.216 18832 4646 1 15 . 1 1 73 73 GLU N N 73 125.940 125.940 128.344 -2.404 18832 4647 1 15 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.597 -0.317 18832 4648 1 15 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.788 -0.178 18832 4649 1 15 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.894 0.816 18832 4650 1 15 . 1 1 73 73 GLU H H 73 8.464 8.464 8.947 -0.483 18832 4651 1 16 . 1 1 2 2 THR N N 2 116.400 116.400 115.781 0.619 18832 4652 1 16 . 1 1 2 2 THR HA H 2 4.120 4.120 4.448 -0.328 18832 4653 1 16 . 1 1 2 2 THR CA C 2 62.100 62.100 61.400 0.700 18832 4654 1 16 . 1 1 2 2 THR CB C 2 69.440 69.440 68.885 0.555 18832 4655 1 16 . 1 1 2 2 THR H H 2 8.150 8.150 7.796 0.354 18832 4656 1 16 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.320 -0.010 18832 4657 1 16 . 1 1 3 3 ARG CA C 3 55.750 55.750 56.666 -0.916 18832 4658 1 16 . 1 1 3 3 ARG CB C 3 30.620 30.620 30.330 0.290 18832 4659 1 16 . 1 1 4 4 TRP N N 4 123.300 123.300 116.163 7.137 18832 4660 1 16 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.664 -0.184 18832 4661 1 16 . 1 1 4 4 TRP CA C 4 57.560 57.560 57.756 -0.196 18832 4662 1 16 . 1 1 4 4 TRP CB C 4 29.490 29.490 29.325 0.165 18832 4663 1 16 . 1 1 4 4 TRP H H 4 8.108 8.108 7.876 0.232 18832 4664 1 16 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.563 0.007 18832 4665 1 16 . 1 1 5 5 VAL CB C 5 30.840 30.840 33.076 -2.236 18832 4666 1 16 . 1 1 6 6 PRO HA H 6 4.810 4.810 5.146 -0.336 18832 4667 1 16 . 1 1 6 6 PRO CB C 6 32.210 32.210 31.365 0.845 18832 4668 1 16 . 1 1 7 7 THR HA H 7 4.270 4.270 3.876 0.394 18832 4669 1 16 . 1 1 7 7 THR CA C 7 60.890 60.890 63.355 -2.465 18832 4670 1 16 . 1 1 7 7 THR CB C 7 70.140 70.140 68.930 1.210 18832 4671 1 16 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.463 -0.023 18832 4672 1 16 . 1 1 8 8 LYS CA C 8 55.980 55.980 56.162 -0.182 18832 4673 1 16 . 1 1 8 8 LYS CB C 8 35.050 35.050 32.740 2.310 18832 4674 1 16 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.240 0.340 18832 4675 1 16 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.518 -0.948 18832 4676 1 16 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.319 0.461 18832 4677 1 16 . 1 1 11 11 GLU N N 11 122.500 122.500 119.054 3.446 18832 4678 1 16 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.176 0.164 18832 4679 1 16 . 1 1 11 11 GLU CA C 11 57.140 57.140 56.605 0.535 18832 4680 1 16 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.131 -0.731 18832 4681 1 16 . 1 1 11 11 GLU H H 11 8.271 8.271 8.424 -0.153 18832 4682 1 16 . 1 1 12 12 LYS HA H 12 4.380 4.380 3.994 0.386 18832 4683 1 16 . 1 1 12 12 LYS CA C 12 55.790 55.790 58.579 -2.789 18832 4684 1 16 . 1 1 12 12 LYS CB C 12 33.600 33.600 32.565 1.035 18832 4685 1 16 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.637 0.923 18832 4686 1 16 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.672 0.188 18832 4687 1 16 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.665 1.775 18832 4688 1 16 . 1 1 14 14 GLY N N 14 105.320 105.320 106.604 -1.284 18832 4689 1 16 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.285 0.955 18832 4690 1 16 . 1 1 14 14 GLY H H 14 8.401 8.401 8.734 -0.333 18832 4691 1 16 . 1 1 15 15 VAL N N 15 118.900 118.900 118.648 0.252 18832 4692 1 16 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.493 0.848 18832 4693 1 16 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.840 -1.630 18832 4694 1 16 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.040 -0.300 18832 4695 1 16 . 1 1 15 15 VAL H H 15 8.851 8.851 8.844 0.007 18832 4696 1 16 . 1 1 16 16 ALA N N 16 129.460 129.460 127.166 2.294 18832 4697 1 16 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.055 -0.055 18832 4698 1 16 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.133 1.867 18832 4699 1 16 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.029 -1.699 18832 4700 1 16 . 1 1 16 16 ALA H H 16 9.113 9.113 8.647 0.466 18832 4701 1 16 . 1 1 17 17 PHE N N 17 124.070 124.070 120.479 3.591 18832 4702 1 16 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.900 -0.099 18832 4703 1 16 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.664 0.566 18832 4704 1 16 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.861 1.139 18832 4705 1 16 . 1 1 17 17 PHE H H 17 8.787 8.787 7.969 0.818 18832 4706 1 16 . 1 1 18 18 TYR N N 18 118.210 118.210 123.505 -5.295 18832 4707 1 16 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.315 0.168 18832 4708 1 16 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.171 -1.871 18832 4709 1 16 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.681 1.129 18832 4710 1 16 . 1 1 18 18 TYR H H 18 7.281 7.281 7.667 -0.386 18832 4711 1 16 . 1 1 19 19 ASN N N 19 116.800 116.800 119.272 -2.472 18832 4712 1 16 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.798 -0.088 18832 4713 1 16 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.765 0.175 18832 4714 1 16 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.510 0.550 18832 4715 1 16 . 1 1 19 19 ASN H H 19 8.134 8.134 8.078 0.056 18832 4716 1 16 . 1 1 20 20 TYR N N 20 122.190 122.190 122.470 -0.280 18832 4717 1 16 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.549 0.138 18832 4718 1 16 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.560 -0.840 18832 4719 1 16 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.076 2.174 18832 4720 1 16 . 1 1 20 20 TYR H H 20 8.993 8.993 7.977 1.016 18832 4721 1 16 . 1 1 21 21 ASP N N 21 128.520 128.520 127.492 1.028 18832 4722 1 16 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.902 -0.112 18832 4723 1 16 . 1 1 21 21 ASP CA C 21 52.370 52.370 53.055 -0.685 18832 4724 1 16 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.017 -1.887 18832 4725 1 16 . 1 1 21 21 ASP H H 21 7.838 7.838 8.177 -0.339 18832 4726 1 16 . 1 1 22 22 ALA N N 22 125.240 125.240 124.930 0.310 18832 4727 1 16 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.587 -0.536 18832 4728 1 16 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.108 -0.168 18832 4729 1 16 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.853 0.597 18832 4730 1 16 . 1 1 22 22 ALA H H 22 8.103 8.103 8.788 -0.685 18832 4731 1 16 . 1 1 23 23 ARG N N 23 122.190 122.190 121.072 1.118 18832 4732 1 16 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.586 -0.240 18832 4733 1 16 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.760 -0.270 18832 4734 1 16 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.137 0.563 18832 4735 1 16 . 1 1 23 23 ARG H H 23 8.887 8.887 8.871 0.016 18832 4736 1 16 . 1 1 24 24 GLY N N 24 105.320 105.320 108.193 -2.873 18832 4737 1 16 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.491 -0.991 18832 4738 1 16 . 1 1 24 24 GLY H H 24 7.258 7.258 7.588 -0.330 18832 4739 1 16 . 1 1 25 25 ALA N N 25 122.190 122.190 121.460 0.730 18832 4740 1 16 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.289 -0.123 18832 4741 1 16 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.837 0.602 18832 4742 1 16 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.421 -0.651 18832 4743 1 16 . 1 1 25 25 ALA H H 25 8.627 8.627 8.308 0.319 18832 4744 1 16 . 1 1 26 26 ASP N N 26 114.690 114.690 116.593 -1.903 18832 4745 1 16 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.422 0.278 18832 4746 1 16 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.064 -2.194 18832 4747 1 16 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.084 -0.694 18832 4748 1 16 . 1 1 26 26 ASP H H 26 8.955 8.955 8.628 0.327 18832 4749 1 16 . 1 1 27 27 GLU N N 27 118.910 118.910 116.512 2.398 18832 4750 1 16 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.454 0.748 18832 4751 1 16 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.643 -0.713 18832 4752 1 16 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.947 -0.067 18832 4753 1 16 . 1 1 27 27 GLU H H 27 7.537 7.537 7.358 0.179 18832 4754 1 16 . 1 1 28 28 LEU N N 28 121.490 121.490 121.082 0.408 18832 4755 1 16 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.777 -0.021 18832 4756 1 16 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.607 -0.487 18832 4757 1 16 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.298 -0.798 18832 4758 1 16 . 1 1 28 28 LEU H H 28 8.890 8.890 8.263 0.627 18832 4759 1 16 . 1 1 29 29 SER N N 29 115.870 115.870 118.861 -2.991 18832 4760 1 16 . 1 1 29 29 SER HA H 29 5.009 5.009 4.709 0.300 18832 4761 1 16 . 1 1 29 29 SER CA C 29 58.470 58.470 58.658 -0.188 18832 4762 1 16 . 1 1 29 29 SER CB C 29 63.690 63.690 63.932 -0.242 18832 4763 1 16 . 1 1 29 29 SER H H 29 7.948 7.948 8.501 -0.553 18832 4764 1 16 . 1 1 30 30 LEU N N 30 121.260 121.260 125.138 -3.878 18832 4765 1 16 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.779 -0.003 18832 4766 1 16 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.410 -1.470 18832 4767 1 16 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.340 1.030 18832 4768 1 16 . 1 1 30 30 LEU H H 30 9.500 9.500 8.227 1.273 18832 4769 1 16 . 1 1 31 31 GLN N N 31 123.130 123.130 118.810 4.320 18832 4770 1 16 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.314 -0.249 18832 4771 1 16 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.451 -0.511 18832 4772 1 16 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.995 -1.805 18832 4773 1 16 . 1 1 31 31 GLN H H 31 9.147 9.147 8.426 0.721 18832 4774 1 16 . 1 1 32 32 ILE N N 32 120.790 120.790 120.043 0.747 18832 4775 1 16 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.050 -1.018 18832 4776 1 16 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.492 0.758 18832 4777 1 16 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.892 0.049 18832 4778 1 16 . 1 1 32 32 ILE H H 32 8.016 8.016 8.328 -0.312 18832 4779 1 16 . 1 1 33 33 GLY N N 33 115.870 115.870 115.158 0.712 18832 4780 1 16 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.846 -0.346 18832 4781 1 16 . 1 1 33 33 GLY H H 33 8.775 8.775 9.032 -0.257 18832 4782 1 16 . 1 1 34 34 ASP N N 34 122.430 122.430 122.789 -0.359 18832 4783 1 16 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.977 -0.343 18832 4784 1 16 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.910 1.950 18832 4785 1 16 . 1 1 34 34 ASP CB C 34 41.310 41.310 41.980 -0.669 18832 4786 1 16 . 1 1 34 34 ASP H H 34 8.686 8.686 7.793 0.893 18832 4787 1 16 . 1 1 35 35 THR N N 35 117.980 117.980 117.903 0.077 18832 4788 1 16 . 1 1 35 35 THR HA H 35 5.154 5.154 4.803 0.351 18832 4789 1 16 . 1 1 35 35 THR CA C 35 61.450 61.450 62.329 -0.879 18832 4790 1 16 . 1 1 35 35 THR CB C 35 69.090 69.090 69.720 -0.630 18832 4791 1 16 . 1 1 35 35 THR H H 35 8.392 8.392 8.645 -0.253 18832 4792 1 16 . 1 1 36 36 VAL N N 36 118.200 118.200 117.452 0.748 18832 4793 1 16 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.757 0.395 18832 4794 1 16 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.251 -2.341 18832 4795 1 16 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.297 -1.107 18832 4796 1 16 . 1 1 36 36 VAL H H 36 9.016 9.016 8.933 0.083 18832 4797 1 16 . 1 1 37 37 HIS N N 37 122.190 122.190 125.719 -3.529 18832 4798 1 16 . 1 1 37 37 HIS HA H 37 4.811 4.811 5.001 -0.190 18832 4799 1 16 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.295 -1.735 18832 4800 1 16 . 1 1 37 37 HIS CB C 37 31.260 31.260 31.012 0.247 18832 4801 1 16 . 1 1 37 37 HIS H H 37 8.491 8.491 8.529 -0.038 18832 4802 1 16 . 1 1 38 38 ILE N N 38 126.650 126.650 126.673 -0.023 18832 4803 1 16 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.110 -0.360 18832 4804 1 16 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.276 -0.637 18832 4805 1 16 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.205 0.675 18832 4806 1 16 . 1 1 38 38 ILE H H 38 8.638 8.638 8.532 0.106 18832 4807 1 16 . 1 1 39 39 LEU N N 39 126.180 126.180 121.836 4.344 18832 4808 1 16 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.872 -0.492 18832 4809 1 16 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.767 0.723 18832 4810 1 16 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.596 0.154 18832 4811 1 16 . 1 1 39 39 LEU H H 39 9.163 9.163 9.036 0.127 18832 4812 1 16 . 1 1 40 40 GLU N N 40 115.160 115.160 117.946 -2.786 18832 4813 1 16 . 1 1 40 40 GLU HA H 40 5.020 5.020 5.203 -0.183 18832 4814 1 16 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.532 -0.442 18832 4815 1 16 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.255 1.475 18832 4816 1 16 . 1 1 40 40 GLU H H 40 7.852 7.852 7.719 0.133 18832 4817 1 16 . 1 1 41 41 THR HA H 41 4.270 4.270 4.745 -0.475 18832 4818 1 16 . 1 1 41 41 THR CA C 41 61.250 61.250 59.660 1.590 18832 4819 1 16 . 1 1 41 41 THR CB C 41 71.410 71.410 70.194 1.216 18832 4820 1 16 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.386 0.164 18832 4821 1 16 . 1 1 43 43 GLU N N 43 124.100 124.100 120.847 3.253 18832 4822 1 16 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.559 -0.819 18832 4823 1 16 . 1 1 43 43 GLU H H 43 8.590 8.590 8.463 0.127 18832 4824 1 16 . 1 1 44 44 GLY N N 44 110.789 110.789 111.765 -0.976 18832 4825 1 16 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.422 0.018 18832 4826 1 16 . 1 1 44 44 GLY H H 44 8.432 8.432 8.659 -0.227 18832 4827 1 16 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.637 0.053 18832 4828 1 16 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.823 1.727 18832 4829 1 16 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.956 0.644 18832 4830 1 16 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.384 -0.324 18832 4831 1 16 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.444 1.206 18832 4832 1 16 . 1 1 47 47 ARG N N 47 118.100 118.100 121.152 -3.052 18832 4833 1 16 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.127 -0.033 18832 4834 1 16 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.166 -0.106 18832 4835 1 16 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.242 -0.992 18832 4836 1 16 . 1 1 47 47 ARG H H 47 8.492 8.492 8.480 0.012 18832 4837 1 16 . 1 1 48 48 GLY N N 48 114.000 114.000 111.195 2.805 18832 4838 1 16 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.041 0.519 18832 4839 1 16 . 1 1 48 48 GLY H H 48 9.183 9.183 9.033 0.150 18832 4840 1 16 . 1 1 49 49 TYR N N 49 116.100 116.100 115.586 0.514 18832 4841 1 16 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.160 0.213 18832 4842 1 16 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.125 -1.015 18832 4843 1 16 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.746 0.004 18832 4844 1 16 . 1 1 49 49 TYR H H 49 8.194 8.194 8.137 0.057 18832 4845 1 16 . 1 1 50 50 THR N N 50 112.350 112.350 115.738 -3.388 18832 4846 1 16 . 1 1 50 50 THR HA H 50 5.105 5.105 4.587 0.518 18832 4847 1 16 . 1 1 50 50 THR CA C 50 59.770 59.770 61.766 -1.996 18832 4848 1 16 . 1 1 50 50 THR CB C 50 69.460 69.460 69.682 -0.222 18832 4849 1 16 . 1 1 50 50 THR H H 50 9.441 9.441 8.850 0.591 18832 4850 1 16 . 1 1 51 51 LEU N N 51 121.260 121.260 120.880 0.380 18832 4851 1 16 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.135 0.101 18832 4852 1 16 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.393 -0.603 18832 4853 1 16 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.196 -1.196 18832 4854 1 16 . 1 1 51 51 LEU H H 51 8.310 8.310 8.612 -0.302 18832 4855 1 16 . 1 1 52 52 ARG N N 52 116.570 116.570 118.067 -1.497 18832 4856 1 16 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.235 0.015 18832 4857 1 16 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.454 -0.104 18832 4858 1 16 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.711 -0.201 18832 4859 1 16 . 1 1 52 52 ARG H H 52 8.047 8.047 8.305 -0.258 18832 4860 1 16 . 1 1 53 53 LYS N N 53 122.660 122.660 119.560 3.100 18832 4861 1 16 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.582 0.034 18832 4862 1 16 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.476 -0.856 18832 4863 1 16 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.338 1.522 18832 4864 1 16 . 1 1 53 53 LYS H H 53 7.649 7.649 8.211 -0.562 18832 4865 1 16 . 1 1 54 54 LYS N N 54 125.010 125.010 122.458 2.552 18832 4866 1 16 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.108 -0.018 18832 4867 1 16 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.399 0.071 18832 4868 1 16 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.365 -0.235 18832 4869 1 16 . 1 1 54 54 LYS H H 54 8.496 8.496 8.177 0.319 18832 4870 1 16 . 1 1 55 55 SER N N 55 110.240 110.240 113.971 -3.731 18832 4871 1 16 . 1 1 55 55 SER HA H 55 4.122 4.122 4.235 -0.113 18832 4872 1 16 . 1 1 55 55 SER CA C 55 58.960 58.960 59.730 -0.770 18832 4873 1 16 . 1 1 55 55 SER CB C 55 63.310 63.310 63.275 0.035 18832 4874 1 16 . 1 1 55 55 SER H H 55 7.857 7.857 8.385 -0.528 18832 4875 1 16 . 1 1 56 56 LYS N N 56 124.070 124.070 120.498 3.572 18832 4876 1 16 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.447 0.221 18832 4877 1 16 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.158 -1.348 18832 4878 1 16 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.530 -0.280 18832 4879 1 16 . 1 1 56 56 LYS H H 56 7.473 7.473 8.019 -0.546 18832 4880 1 16 . 1 1 57 57 LYS N N 57 125.940 125.940 119.787 6.153 18832 4881 1 16 . 1 1 57 57 LYS HA H 57 5.341 5.341 5.128 0.213 18832 4882 1 16 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.628 -0.008 18832 4883 1 16 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.944 -2.704 18832 4884 1 16 . 1 1 57 57 LYS H H 57 8.474 8.474 8.182 0.292 18832 4885 1 16 . 1 1 58 58 GLY N N 58 109.540 109.540 108.076 1.464 18832 4886 1 16 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.221 0.399 18832 4887 1 16 . 1 1 58 58 GLY H H 58 9.075 9.075 8.954 0.121 18832 4888 1 16 . 1 1 59 59 ILE N N 59 113.900 113.900 115.393 -1.493 18832 4889 1 16 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.130 0.870 18832 4890 1 16 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.375 1.215 18832 4891 1 16 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.552 -0.412 18832 4892 1 16 . 1 1 59 59 ILE H H 59 8.628 8.628 7.941 0.687 18832 4893 1 16 . 1 1 60 60 PHE N N 60 117.040 117.040 116.934 0.106 18832 4894 1 16 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.268 -0.148 18832 4895 1 16 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.704 -0.644 18832 4896 1 16 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.204 -3.014 18832 4897 1 16 . 1 1 60 60 PHE H H 60 8.724 8.724 8.680 0.044 18832 4898 1 16 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.577 -1.097 18832 4899 1 16 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.290 -0.090 18832 4900 1 16 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.650 -1.460 18832 4901 1 16 . 1 1 62 62 ALA N N 62 124.770 124.770 126.951 -2.181 18832 4902 1 16 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.983 -0.273 18832 4903 1 16 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.130 0.240 18832 4904 1 16 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.235 -0.585 18832 4905 1 16 . 1 1 62 62 ALA H H 62 7.898 7.898 8.268 -0.370 18832 4906 1 16 . 1 1 63 63 SER N N 63 109.700 109.700 115.525 -5.825 18832 4907 1 16 . 1 1 63 63 SER HA H 63 4.200 4.200 4.107 0.093 18832 4908 1 16 . 1 1 63 63 SER CA C 63 59.400 59.400 61.091 -1.691 18832 4909 1 16 . 1 1 63 63 SER CB C 63 62.380 62.380 62.541 -0.161 18832 4910 1 16 . 1 1 63 63 SER H H 63 8.030 8.030 8.386 -0.357 18832 4911 1 16 . 1 1 64 64 TYR N N 64 120.300 120.300 112.535 7.765 18832 4912 1 16 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.505 -0.255 18832 4913 1 16 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.530 3.190 18832 4914 1 16 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.525 0.035 18832 4915 1 16 . 1 1 64 64 TYR H H 64 7.128 7.128 6.862 0.266 18832 4916 1 16 . 1 1 65 65 ILE N N 65 118.000 118.000 121.425 -3.425 18832 4917 1 16 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.384 0.426 18832 4918 1 16 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.684 -2.704 18832 4919 1 16 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.675 0.955 18832 4920 1 16 . 1 1 65 65 ILE H H 65 7.671 7.671 7.281 0.390 18832 4921 1 16 . 1 1 66 66 HIS N N 66 124.300 124.300 126.392 -2.092 18832 4922 1 16 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.873 0.257 18832 4923 1 16 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.931 -1.871 18832 4924 1 16 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.753 -2.243 18832 4925 1 16 . 1 1 66 66 HIS H H 66 9.159 9.159 8.673 0.486 18832 4926 1 16 . 1 1 67 67 LEU N N 67 127.580 127.580 128.865 -1.285 18832 4927 1 16 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.185 0.385 18832 4928 1 16 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.055 0.245 18832 4929 1 16 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.376 0.684 18832 4930 1 16 . 1 1 67 67 LEU H H 67 8.992 8.992 8.328 0.664 18832 4931 1 16 . 1 1 68 68 LYS N N 68 121.900 121.900 124.001 -2.101 18832 4932 1 16 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.268 0.222 18832 4933 1 16 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.125 -0.015 18832 4934 1 16 . 1 1 68 68 LYS CB C 68 34.610 34.610 32.956 1.654 18832 4935 1 16 . 1 1 68 68 LYS H H 68 8.499 8.499 7.928 0.571 18832 4936 1 16 . 1 1 69 69 GLU N N 69 122.190 122.190 119.332 2.858 18832 4937 1 16 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.173 0.107 18832 4938 1 16 . 1 1 69 69 GLU CA C 69 56.610 56.610 58.264 -1.654 18832 4939 1 16 . 1 1 69 69 GLU CB C 69 30.330 30.330 30.935 -0.605 18832 4940 1 16 . 1 1 69 69 GLU H H 69 8.569 8.569 8.482 0.087 18832 4941 1 16 . 1 1 70 70 ALA N N 70 123.370 123.370 120.740 2.630 18832 4942 1 16 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.461 -0.261 18832 4943 1 16 . 1 1 70 70 ALA CA C 70 51.810 51.810 51.905 -0.095 18832 4944 1 16 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.398 0.302 18832 4945 1 16 . 1 1 70 70 ALA H H 70 8.181 8.181 7.821 0.360 18832 4946 1 16 . 1 1 71 71 ILE N N 71 120.080 120.080 123.208 -3.128 18832 4947 1 16 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.538 -0.468 18832 4948 1 16 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.726 -0.396 18832 4949 1 16 . 1 1 71 71 ILE CB C 71 38.690 38.690 41.306 -2.616 18832 4950 1 16 . 1 1 71 71 ILE H H 71 7.776 7.776 8.225 -0.449 18832 4951 1 16 . 1 1 72 72 VAL N N 72 124.540 124.540 122.227 2.313 18832 4952 1 16 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.406 -0.336 18832 4953 1 16 . 1 1 72 72 VAL CA C 72 61.640 61.640 60.804 0.836 18832 4954 1 16 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.833 -0.143 18832 4955 1 16 . 1 1 72 72 VAL H H 72 8.089 8.089 8.131 -0.042 18832 4956 1 16 . 1 1 73 73 GLU N N 73 125.940 125.940 119.337 6.603 18832 4957 1 16 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.179 0.101 18832 4958 1 16 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.461 0.149 18832 4959 1 16 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.052 0.657 18832 4960 1 16 . 1 1 73 73 GLU H H 73 8.464 8.464 8.716 -0.252 18832 4961 1 17 . 1 1 2 2 THR N N 2 116.400 116.400 112.876 3.524 18832 4962 1 17 . 1 1 2 2 THR HA H 2 4.120 4.120 4.282 -0.162 18832 4963 1 17 . 1 1 2 2 THR CA C 2 62.100 62.100 63.189 -1.089 18832 4964 1 17 . 1 1 2 2 THR CB C 2 69.440 69.440 69.134 0.306 18832 4965 1 17 . 1 1 2 2 THR H H 2 8.150 8.150 8.536 -0.386 18832 4966 1 17 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.572 -0.262 18832 4967 1 17 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.981 -0.231 18832 4968 1 17 . 1 1 3 3 ARG CB C 3 30.620 30.620 30.385 0.235 18832 4969 1 17 . 1 1 4 4 TRP N N 4 123.300 123.300 121.758 1.542 18832 4970 1 17 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.830 -0.350 18832 4971 1 17 . 1 1 4 4 TRP CA C 4 57.560 57.560 57.623 -0.063 18832 4972 1 17 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.022 -0.532 18832 4973 1 17 . 1 1 4 4 TRP H H 4 8.108 8.108 8.097 0.011 18832 4974 1 17 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.291 0.279 18832 4975 1 17 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.129 -1.289 18832 4976 1 17 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.595 0.215 18832 4977 1 17 . 1 1 6 6 PRO CB C 6 32.210 32.210 31.424 0.786 18832 4978 1 17 . 1 1 7 7 THR HA H 7 4.270 4.270 3.874 0.396 18832 4979 1 17 . 1 1 7 7 THR CA C 7 60.890 60.890 63.171 -2.281 18832 4980 1 17 . 1 1 7 7 THR CB C 7 70.140 70.140 68.871 1.269 18832 4981 1 17 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.463 -0.023 18832 4982 1 17 . 1 1 8 8 LYS CA C 8 55.980 55.980 56.252 -0.272 18832 4983 1 17 . 1 1 8 8 LYS CB C 8 35.050 35.050 32.550 2.500 18832 4984 1 17 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.158 0.422 18832 4985 1 17 . 1 1 10 10 GLU CA C 10 55.570 55.570 57.148 -1.579 18832 4986 1 17 . 1 1 10 10 GLU CB C 10 30.780 30.780 29.942 0.838 18832 4987 1 17 . 1 1 11 11 GLU N N 11 122.500 122.500 123.078 -0.578 18832 4988 1 17 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.188 0.152 18832 4989 1 17 . 1 1 11 11 GLU CA C 11 57.140 57.140 58.117 -0.977 18832 4990 1 17 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.184 -0.784 18832 4991 1 17 . 1 1 11 11 GLU H H 11 8.271 8.271 8.752 -0.481 18832 4992 1 17 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.160 0.220 18832 4993 1 17 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.730 -0.940 18832 4994 1 17 . 1 1 12 12 LYS CB C 12 33.600 33.600 34.036 -0.436 18832 4995 1 17 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.658 0.902 18832 4996 1 17 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.822 0.038 18832 4997 1 17 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.915 2.525 18832 4998 1 17 . 1 1 14 14 GLY N N 14 105.320 105.320 106.959 -1.639 18832 4999 1 17 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.223 1.017 18832 5000 1 17 . 1 1 14 14 GLY H H 14 8.401 8.401 8.800 -0.399 18832 5001 1 17 . 1 1 15 15 VAL N N 15 118.900 118.900 118.435 0.465 18832 5002 1 17 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.677 0.664 18832 5003 1 17 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.459 -1.249 18832 5004 1 17 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.798 -0.058 18832 5005 1 17 . 1 1 15 15 VAL H H 15 8.851 8.851 8.835 0.016 18832 5006 1 17 . 1 1 16 16 ALA N N 16 129.460 129.460 126.761 2.699 18832 5007 1 17 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.193 -0.193 18832 5008 1 17 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.099 1.901 18832 5009 1 17 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.736 -1.406 18832 5010 1 17 . 1 1 16 16 ALA H H 16 9.113 9.113 8.461 0.652 18832 5011 1 17 . 1 1 17 17 PHE N N 17 124.070 124.070 120.400 3.670 18832 5012 1 17 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.882 -0.081 18832 5013 1 17 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.966 0.264 18832 5014 1 17 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.688 1.312 18832 5015 1 17 . 1 1 17 17 PHE H H 17 8.787 8.787 7.646 1.141 18832 5016 1 17 . 1 1 18 18 TYR N N 18 118.210 118.210 123.500 -5.290 18832 5017 1 17 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.345 0.138 18832 5018 1 17 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.261 -1.961 18832 5019 1 17 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.902 0.908 18832 5020 1 17 . 1 1 18 18 TYR H H 18 7.281 7.281 7.656 -0.375 18832 5021 1 17 . 1 1 19 19 ASN N N 19 116.800 116.800 119.156 -2.356 18832 5022 1 17 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.861 -0.151 18832 5023 1 17 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.819 0.121 18832 5024 1 17 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.336 0.725 18832 5025 1 17 . 1 1 19 19 ASN H H 19 8.134 8.134 8.292 -0.158 18832 5026 1 17 . 1 1 20 20 TYR N N 20 122.190 122.190 122.546 -0.356 18832 5027 1 17 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.711 -0.024 18832 5028 1 17 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.108 0.612 18832 5029 1 17 . 1 1 20 20 TYR CB C 20 42.250 42.250 41.038 1.212 18832 5030 1 17 . 1 1 20 20 TYR H H 20 8.993 8.993 8.066 0.927 18832 5031 1 17 . 1 1 21 21 ASP N N 21 128.520 128.520 124.524 3.996 18832 5032 1 17 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.611 0.179 18832 5033 1 17 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.751 0.619 18832 5034 1 17 . 1 1 21 21 ASP CB C 21 41.130 41.130 44.519 -3.389 18832 5035 1 17 . 1 1 21 21 ASP H H 21 7.838 7.838 8.178 -0.340 18832 5036 1 17 . 1 1 22 22 ALA N N 22 125.240 125.240 123.005 2.235 18832 5037 1 17 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.213 -0.162 18832 5038 1 17 . 1 1 22 22 ALA CA C 22 52.940 52.940 51.417 1.523 18832 5039 1 17 . 1 1 22 22 ALA CB C 22 20.450 20.450 20.295 0.155 18832 5040 1 17 . 1 1 22 22 ALA H H 22 8.103 8.103 8.087 0.016 18832 5041 1 17 . 1 1 23 23 ARG N N 23 122.190 122.190 120.679 1.511 18832 5042 1 17 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.583 -0.237 18832 5043 1 17 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.251 0.239 18832 5044 1 17 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.810 -0.110 18832 5045 1 17 . 1 1 23 23 ARG H H 23 8.887 8.887 8.721 0.166 18832 5046 1 17 . 1 1 24 24 GLY N N 24 105.320 105.320 107.098 -1.778 18832 5047 1 17 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.802 -0.302 18832 5048 1 17 . 1 1 24 24 GLY H H 24 7.258 7.258 7.487 -0.229 18832 5049 1 17 . 1 1 25 25 ALA N N 25 122.190 122.190 121.409 0.781 18832 5050 1 17 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.201 -0.035 18832 5051 1 17 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.029 0.410 18832 5052 1 17 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.301 -0.531 18832 5053 1 17 . 1 1 25 25 ALA H H 25 8.627 8.627 8.262 0.365 18832 5054 1 17 . 1 1 26 26 ASP N N 26 114.690 114.690 116.775 -2.085 18832 5055 1 17 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.400 0.300 18832 5056 1 17 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.913 -2.043 18832 5057 1 17 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.223 -0.833 18832 5058 1 17 . 1 1 26 26 ASP H H 26 8.955 8.955 8.733 0.222 18832 5059 1 17 . 1 1 27 27 GLU N N 27 118.910 118.910 115.864 3.046 18832 5060 1 17 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.643 0.559 18832 5061 1 17 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.464 -0.534 18832 5062 1 17 . 1 1 27 27 GLU CB C 27 32.880 32.880 33.465 -0.584 18832 5063 1 17 . 1 1 27 27 GLU H H 27 7.537 7.537 7.387 0.150 18832 5064 1 17 . 1 1 28 28 LEU N N 28 121.490 121.490 120.357 1.133 18832 5065 1 17 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.740 0.016 18832 5066 1 17 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.797 -0.677 18832 5067 1 17 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.303 -0.803 18832 5068 1 17 . 1 1 28 28 LEU H H 28 8.890 8.890 8.593 0.297 18832 5069 1 17 . 1 1 29 29 SER N N 29 115.870 115.870 119.349 -3.479 18832 5070 1 17 . 1 1 29 29 SER HA H 29 5.009 5.009 4.345 0.664 18832 5071 1 17 . 1 1 29 29 SER CA C 29 58.470 58.470 58.285 0.185 18832 5072 1 17 . 1 1 29 29 SER CB C 29 63.690 63.690 64.035 -0.345 18832 5073 1 17 . 1 1 29 29 SER H H 29 7.948 7.948 8.372 -0.424 18832 5074 1 17 . 1 1 30 30 LEU N N 30 121.260 121.260 124.708 -3.448 18832 5075 1 17 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.760 0.016 18832 5076 1 17 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.435 -1.495 18832 5077 1 17 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.703 0.667 18832 5078 1 17 . 1 1 30 30 LEU H H 30 9.500 9.500 8.354 1.146 18832 5079 1 17 . 1 1 31 31 GLN N N 31 123.130 123.130 119.155 3.975 18832 5080 1 17 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.319 -0.254 18832 5081 1 17 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.492 -0.552 18832 5082 1 17 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.506 -2.316 18832 5083 1 17 . 1 1 31 31 GLN H H 31 9.147 9.147 8.445 0.702 18832 5084 1 17 . 1 1 32 32 ILE N N 32 120.790 120.790 119.932 0.858 18832 5085 1 17 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.101 -1.069 18832 5086 1 17 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.425 0.825 18832 5087 1 17 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.891 0.049 18832 5088 1 17 . 1 1 32 32 ILE H H 32 8.016 8.016 8.360 -0.344 18832 5089 1 17 . 1 1 33 33 GLY N N 33 115.870 115.870 115.439 0.431 18832 5090 1 17 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.960 -0.460 18832 5091 1 17 . 1 1 33 33 GLY H H 33 8.775 8.775 9.007 -0.232 18832 5092 1 17 . 1 1 34 34 ASP N N 34 122.430 122.430 122.007 0.423 18832 5093 1 17 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.988 -0.354 18832 5094 1 17 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.839 2.021 18832 5095 1 17 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.212 -0.902 18832 5096 1 17 . 1 1 34 34 ASP H H 34 8.686 8.686 7.671 1.015 18832 5097 1 17 . 1 1 35 35 THR N N 35 117.980 117.980 116.976 1.004 18832 5098 1 17 . 1 1 35 35 THR HA H 35 5.154 5.154 4.878 0.276 18832 5099 1 17 . 1 1 35 35 THR CA C 35 61.450 61.450 61.533 -0.083 18832 5100 1 17 . 1 1 35 35 THR CB C 35 69.090 69.090 70.302 -1.212 18832 5101 1 17 . 1 1 35 35 THR H H 35 8.392 8.392 8.453 -0.061 18832 5102 1 17 . 1 1 36 36 VAL N N 36 118.200 118.200 118.217 -0.017 18832 5103 1 17 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.552 0.600 18832 5104 1 17 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.058 -2.148 18832 5105 1 17 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.936 -0.746 18832 5106 1 17 . 1 1 36 36 VAL H H 36 9.016 9.016 8.654 0.362 18832 5107 1 17 . 1 1 37 37 HIS N N 37 122.190 122.190 125.206 -3.016 18832 5108 1 17 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.957 -0.146 18832 5109 1 17 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.335 -0.775 18832 5110 1 17 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.935 0.325 18832 5111 1 17 . 1 1 37 37 HIS H H 37 8.491 8.491 8.084 0.407 18832 5112 1 17 . 1 1 38 38 ILE N N 38 126.650 126.650 127.469 -0.819 18832 5113 1 17 . 1 1 38 38 ILE HA H 38 3.750 3.750 3.938 -0.188 18832 5114 1 17 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.041 -0.401 18832 5115 1 17 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.079 0.801 18832 5116 1 17 . 1 1 38 38 ILE H H 38 8.638 8.638 8.812 -0.174 18832 5117 1 17 . 1 1 39 39 LEU N N 39 126.180 126.180 123.884 2.296 18832 5118 1 17 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.823 -0.443 18832 5119 1 17 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.911 0.579 18832 5120 1 17 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.880 -0.130 18832 5121 1 17 . 1 1 39 39 LEU H H 39 9.163 9.163 8.482 0.681 18832 5122 1 17 . 1 1 40 40 GLU N N 40 115.160 115.160 117.093 -1.933 18832 5123 1 17 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.766 0.254 18832 5124 1 17 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.370 -0.279 18832 5125 1 17 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.807 1.923 18832 5126 1 17 . 1 1 40 40 GLU H H 40 7.852 7.852 7.699 0.153 18832 5127 1 17 . 1 1 41 41 THR HA H 41 4.270 4.270 4.309 -0.039 18832 5128 1 17 . 1 1 41 41 THR CA C 41 61.250 61.250 59.478 1.772 18832 5129 1 17 . 1 1 41 41 THR CB C 41 71.410 71.410 70.349 1.062 18832 5130 1 17 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.304 0.246 18832 5131 1 17 . 1 1 43 43 GLU N N 43 124.100 124.100 119.964 4.136 18832 5132 1 17 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.591 -0.851 18832 5133 1 17 . 1 1 43 43 GLU H H 43 8.590 8.590 8.417 0.173 18832 5134 1 17 . 1 1 44 44 GLY N N 44 110.789 110.789 111.197 -0.408 18832 5135 1 17 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.682 -0.242 18832 5136 1 17 . 1 1 44 44 GLY H H 44 8.432 8.432 8.583 -0.151 18832 5137 1 17 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.664 0.026 18832 5138 1 17 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.874 1.675 18832 5139 1 17 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.554 1.046 18832 5140 1 17 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.762 -0.702 18832 5141 1 17 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.512 1.138 18832 5142 1 17 . 1 1 47 47 ARG N N 47 118.100 118.100 120.722 -2.622 18832 5143 1 17 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.920 0.174 18832 5144 1 17 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.653 -0.592 18832 5145 1 17 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.718 -0.468 18832 5146 1 17 . 1 1 47 47 ARG H H 47 8.492 8.492 8.195 0.297 18832 5147 1 17 . 1 1 48 48 GLY N N 48 114.000 114.000 113.031 0.969 18832 5148 1 17 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.062 1.498 18832 5149 1 17 . 1 1 48 48 GLY H H 48 9.183 9.183 8.911 0.272 18832 5150 1 17 . 1 1 49 49 TYR N N 49 116.100 116.100 115.007 1.093 18832 5151 1 17 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.195 0.178 18832 5152 1 17 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.867 -0.757 18832 5153 1 17 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.078 0.672 18832 5154 1 17 . 1 1 49 49 TYR H H 49 8.194 8.194 7.999 0.195 18832 5155 1 17 . 1 1 50 50 THR N N 50 112.350 112.350 116.970 -4.620 18832 5156 1 17 . 1 1 50 50 THR HA H 50 5.105 5.105 4.495 0.610 18832 5157 1 17 . 1 1 50 50 THR CA C 50 59.770 59.770 62.051 -2.281 18832 5158 1 17 . 1 1 50 50 THR CB C 50 69.460 69.460 69.744 -0.284 18832 5159 1 17 . 1 1 50 50 THR H H 50 9.441 9.441 8.564 0.877 18832 5160 1 17 . 1 1 51 51 LEU N N 51 121.260 121.260 121.407 -0.147 18832 5161 1 17 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.122 0.114 18832 5162 1 17 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.325 -0.535 18832 5163 1 17 . 1 1 51 51 LEU CB C 51 40.000 40.000 40.988 -0.988 18832 5164 1 17 . 1 1 51 51 LEU H H 51 8.310 8.310 8.502 -0.192 18832 5165 1 17 . 1 1 52 52 ARG N N 52 116.570 116.570 117.287 -0.717 18832 5166 1 17 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.216 0.034 18832 5167 1 17 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.087 0.263 18832 5168 1 17 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.670 -0.160 18832 5169 1 17 . 1 1 52 52 ARG H H 52 8.047 8.047 8.361 -0.314 18832 5170 1 17 . 1 1 53 53 LYS N N 53 122.660 122.660 119.878 2.782 18832 5171 1 17 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.572 0.044 18832 5172 1 17 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.306 -0.686 18832 5173 1 17 . 1 1 53 53 LYS CB C 53 32.860 32.860 32.149 0.711 18832 5174 1 17 . 1 1 53 53 LYS H H 53 7.649 7.649 7.353 0.296 18832 5175 1 17 . 1 1 54 54 LYS N N 54 125.010 125.010 120.820 4.190 18832 5176 1 17 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.105 -0.015 18832 5177 1 17 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.643 -0.173 18832 5178 1 17 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.651 -0.521 18832 5179 1 17 . 1 1 54 54 LYS H H 54 8.496 8.496 8.430 0.066 18832 5180 1 17 . 1 1 55 55 SER N N 55 110.240 110.240 113.770 -3.530 18832 5181 1 17 . 1 1 55 55 SER HA H 55 4.122 4.122 4.304 -0.182 18832 5182 1 17 . 1 1 55 55 SER CA C 55 58.960 58.960 59.466 -0.506 18832 5183 1 17 . 1 1 55 55 SER CB C 55 63.310 63.310 63.443 -0.133 18832 5184 1 17 . 1 1 55 55 SER H H 55 7.857 7.857 8.236 -0.379 18832 5185 1 17 . 1 1 56 56 LYS N N 56 124.070 124.070 121.044 3.026 18832 5186 1 17 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.336 0.332 18832 5187 1 17 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.303 -1.493 18832 5188 1 17 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.221 0.029 18832 5189 1 17 . 1 1 56 56 LYS H H 56 7.473 7.473 7.917 -0.444 18832 5190 1 17 . 1 1 57 57 LYS N N 57 125.940 125.940 123.234 2.706 18832 5191 1 17 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.850 0.491 18832 5192 1 17 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.704 -0.084 18832 5193 1 17 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.547 -1.307 18832 5194 1 17 . 1 1 57 57 LYS H H 57 8.474 8.474 8.291 0.183 18832 5195 1 17 . 1 1 58 58 GLY N N 58 109.540 109.540 111.495 -1.955 18832 5196 1 17 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.101 0.519 18832 5197 1 17 . 1 1 58 58 GLY H H 58 9.075 9.075 8.988 0.087 18832 5198 1 17 . 1 1 59 59 ILE N N 59 113.900 113.900 115.227 -1.327 18832 5199 1 17 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.029 0.971 18832 5200 1 17 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.624 0.966 18832 5201 1 17 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.502 -0.362 18832 5202 1 17 . 1 1 59 59 ILE H H 59 8.628 8.628 8.232 0.396 18832 5203 1 17 . 1 1 60 60 PHE N N 60 117.040 117.040 116.826 0.214 18832 5204 1 17 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.502 -0.382 18832 5205 1 17 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.870 -0.810 18832 5206 1 17 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.950 -2.760 18832 5207 1 17 . 1 1 60 60 PHE H H 60 8.724 8.724 8.347 0.377 18832 5208 1 17 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.677 -1.197 18832 5209 1 17 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.320 -0.120 18832 5210 1 17 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.796 -1.606 18832 5211 1 17 . 1 1 62 62 ALA N N 62 124.770 124.770 126.870 -2.100 18832 5212 1 17 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.008 -0.298 18832 5213 1 17 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.242 0.128 18832 5214 1 17 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.211 -0.561 18832 5215 1 17 . 1 1 62 62 ALA H H 62 7.898 7.898 8.351 -0.453 18832 5216 1 17 . 1 1 63 63 SER N N 63 109.700 109.700 115.236 -5.536 18832 5217 1 17 . 1 1 63 63 SER HA H 63 4.200 4.200 4.096 0.104 18832 5218 1 17 . 1 1 63 63 SER CA C 63 59.400 59.400 61.122 -1.722 18832 5219 1 17 . 1 1 63 63 SER CB C 63 62.380 62.380 62.960 -0.580 18832 5220 1 17 . 1 1 63 63 SER H H 63 8.030 8.030 8.385 -0.355 18832 5221 1 17 . 1 1 64 64 TYR N N 64 120.300 120.300 112.039 8.261 18832 5222 1 17 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.589 -0.339 18832 5223 1 17 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.835 2.885 18832 5224 1 17 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.542 0.018 18832 5225 1 17 . 1 1 64 64 TYR H H 64 7.128 7.128 6.972 0.156 18832 5226 1 17 . 1 1 65 65 ILE N N 65 118.000 118.000 121.560 -3.560 18832 5227 1 17 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.557 0.253 18832 5228 1 17 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.394 -2.413 18832 5229 1 17 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.221 1.409 18832 5230 1 17 . 1 1 65 65 ILE H H 65 7.671 7.671 7.275 0.396 18832 5231 1 17 . 1 1 66 66 HIS N N 66 124.300 124.300 127.396 -3.096 18832 5232 1 17 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.908 0.222 18832 5233 1 17 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.644 -1.583 18832 5234 1 17 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.261 -2.751 18832 5235 1 17 . 1 1 66 66 HIS H H 66 9.159 9.159 8.790 0.369 18832 5236 1 17 . 1 1 67 67 LEU N N 67 127.580 127.580 127.812 -0.232 18832 5237 1 17 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.378 0.192 18832 5238 1 17 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.259 0.041 18832 5239 1 17 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.280 0.780 18832 5240 1 17 . 1 1 67 67 LEU H H 67 8.992 8.992 8.537 0.455 18832 5241 1 17 . 1 1 68 68 LYS N N 68 121.900 121.900 124.297 -2.397 18832 5242 1 17 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.745 -0.255 18832 5243 1 17 . 1 1 68 68 LYS CA C 68 55.110 55.110 53.749 1.361 18832 5244 1 17 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.358 0.252 18832 5245 1 17 . 1 1 68 68 LYS H H 68 8.499 8.499 8.191 0.308 18832 5246 1 17 . 1 1 69 69 GLU N N 69 122.190 122.190 120.592 1.598 18832 5247 1 17 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.625 -0.345 18832 5248 1 17 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.336 1.274 18832 5249 1 17 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.795 1.535 18832 5250 1 17 . 1 1 69 69 GLU H H 69 8.569 8.569 8.634 -0.065 18832 5251 1 17 . 1 1 70 70 ALA N N 70 123.370 123.370 121.828 1.542 18832 5252 1 17 . 1 1 70 70 ALA HA H 70 4.200 4.200 3.565 0.635 18832 5253 1 17 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.527 -0.717 18832 5254 1 17 . 1 1 70 70 ALA CB C 70 19.700 19.700 17.236 2.464 18832 5255 1 17 . 1 1 70 70 ALA H H 70 8.181 8.181 7.689 0.492 18832 5256 1 17 . 1 1 71 71 ILE N N 71 120.080 120.080 115.451 4.629 18832 5257 1 17 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.289 -0.219 18832 5258 1 17 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.298 -0.968 18832 5259 1 17 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.066 -0.376 18832 5260 1 17 . 1 1 71 71 ILE H H 71 7.776 7.776 8.095 -0.319 18832 5261 1 17 . 1 1 72 72 VAL N N 72 124.540 124.540 121.327 3.213 18832 5262 1 17 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.319 -0.249 18832 5263 1 17 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.264 -0.624 18832 5264 1 17 . 1 1 72 72 VAL CB C 72 32.690 32.690 31.706 0.984 18832 5265 1 17 . 1 1 72 72 VAL H H 72 8.089 8.089 8.140 -0.051 18832 5266 1 17 . 1 1 73 73 GLU N N 73 125.940 125.940 123.400 2.540 18832 5267 1 17 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.634 -0.354 18832 5268 1 17 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.205 0.405 18832 5269 1 17 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.658 1.052 18832 5270 1 17 . 1 1 73 73 GLU H H 73 8.464 8.464 8.520 -0.056 18832 5271 1 18 . 1 1 2 2 THR N N 2 116.400 116.400 114.422 1.978 18832 5272 1 18 . 1 1 2 2 THR HA H 2 4.120 4.120 4.554 -0.434 18832 5273 1 18 . 1 1 2 2 THR CA C 2 62.100 62.100 62.933 -0.833 18832 5274 1 18 . 1 1 2 2 THR CB C 2 69.440 69.440 69.592 -0.152 18832 5275 1 18 . 1 1 2 2 THR H H 2 8.150 8.150 9.070 -0.920 18832 5276 1 18 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.527 -0.217 18832 5277 1 18 . 1 1 3 3 ARG CA C 3 55.750 55.750 56.426 -0.676 18832 5278 1 18 . 1 1 3 3 ARG CB C 3 30.620 30.620 31.119 -0.499 18832 5279 1 18 . 1 1 4 4 TRP N N 4 123.300 123.300 121.318 1.982 18832 5280 1 18 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.906 -0.426 18832 5281 1 18 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.152 1.408 18832 5282 1 18 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.707 -1.217 18832 5283 1 18 . 1 1 4 4 TRP H H 4 8.108 8.108 7.952 0.156 18832 5284 1 18 . 1 1 5 5 VAL HA H 5 4.570 4.570 3.838 0.732 18832 5285 1 18 . 1 1 5 5 VAL CB C 5 30.840 30.840 30.730 0.110 18832 5286 1 18 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.596 0.214 18832 5287 1 18 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.050 0.160 18832 5288 1 18 . 1 1 7 7 THR HA H 7 4.270 4.270 4.330 -0.060 18832 5289 1 18 . 1 1 7 7 THR CA C 7 60.890 60.890 61.112 -0.222 18832 5290 1 18 . 1 1 7 7 THR CB C 7 70.140 70.140 69.673 0.467 18832 5291 1 18 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.156 0.284 18832 5292 1 18 . 1 1 8 8 LYS CA C 8 55.980 55.980 56.126 -0.146 18832 5293 1 18 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.251 1.799 18832 5294 1 18 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.253 0.327 18832 5295 1 18 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.624 -1.054 18832 5296 1 18 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.312 0.468 18832 5297 1 18 . 1 1 11 11 GLU N N 11 122.500 122.500 118.143 4.357 18832 5298 1 18 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.013 0.327 18832 5299 1 18 . 1 1 11 11 GLU CA C 11 57.140 57.140 57.466 -0.326 18832 5300 1 18 . 1 1 11 11 GLU CB C 11 29.400 29.400 29.855 -0.455 18832 5301 1 18 . 1 1 11 11 GLU H H 11 8.271 8.271 8.594 -0.323 18832 5302 1 18 . 1 1 12 12 LYS HA H 12 4.380 4.380 3.732 0.648 18832 5303 1 18 . 1 1 12 12 LYS CA C 12 55.790 55.790 57.455 -1.665 18832 5304 1 18 . 1 1 12 12 LYS CB C 12 33.600 33.600 32.444 1.156 18832 5305 1 18 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.590 0.970 18832 5306 1 18 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.244 0.616 18832 5307 1 18 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.203 2.237 18832 5308 1 18 . 1 1 14 14 GLY N N 14 105.320 105.320 106.902 -1.582 18832 5309 1 18 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.625 1.615 18832 5310 1 18 . 1 1 14 14 GLY H H 14 8.401 8.401 9.121 -0.720 18832 5311 1 18 . 1 1 15 15 VAL N N 15 118.900 118.900 118.436 0.464 18832 5312 1 18 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.491 0.850 18832 5313 1 18 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.756 -1.546 18832 5314 1 18 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.535 -0.795 18832 5315 1 18 . 1 1 15 15 VAL H H 15 8.851 8.851 8.615 0.236 18832 5316 1 18 . 1 1 16 16 ALA N N 16 129.460 129.460 126.145 3.315 18832 5317 1 18 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.559 -0.559 18832 5318 1 18 . 1 1 16 16 ALA CA C 16 52.000 52.000 49.893 2.107 18832 5319 1 18 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.224 -1.894 18832 5320 1 18 . 1 1 16 16 ALA H H 16 9.113 9.113 8.463 0.650 18832 5321 1 18 . 1 1 17 17 PHE N N 17 124.070 124.070 122.525 1.545 18832 5322 1 18 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.876 -0.075 18832 5323 1 18 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.521 -0.291 18832 5324 1 18 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.594 1.406 18832 5325 1 18 . 1 1 17 17 PHE H H 17 8.787 8.787 7.625 1.162 18832 5326 1 18 . 1 1 18 18 TYR N N 18 118.210 118.210 122.308 -4.098 18832 5327 1 18 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.390 0.093 18832 5328 1 18 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.453 -2.153 18832 5329 1 18 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.075 0.735 18832 5330 1 18 . 1 1 18 18 TYR H H 18 7.281 7.281 7.575 -0.294 18832 5331 1 18 . 1 1 19 19 ASN N N 19 116.800 116.800 119.244 -2.444 18832 5332 1 18 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.806 -0.096 18832 5333 1 18 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.927 0.013 18832 5334 1 18 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.631 0.429 18832 5335 1 18 . 1 1 19 19 ASN H H 19 8.134 8.134 8.208 -0.074 18832 5336 1 18 . 1 1 20 20 TYR N N 20 122.190 122.190 122.921 -0.731 18832 5337 1 18 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.487 0.200 18832 5338 1 18 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.608 -0.888 18832 5339 1 18 . 1 1 20 20 TYR CB C 20 42.250 42.250 39.692 2.558 18832 5340 1 18 . 1 1 20 20 TYR H H 20 8.993 8.993 7.906 1.087 18832 5341 1 18 . 1 1 21 21 ASP N N 21 128.520 128.520 128.445 0.075 18832 5342 1 18 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.967 -0.177 18832 5343 1 18 . 1 1 21 21 ASP CA C 21 52.370 52.370 53.233 -0.862 18832 5344 1 18 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.225 -1.095 18832 5345 1 18 . 1 1 21 21 ASP H H 21 7.838 7.838 8.475 -0.637 18832 5346 1 18 . 1 1 22 22 ALA N N 22 125.240 125.240 123.497 1.743 18832 5347 1 18 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.562 -0.511 18832 5348 1 18 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.565 0.375 18832 5349 1 18 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.908 0.542 18832 5350 1 18 . 1 1 22 22 ALA H H 22 8.103 8.103 8.595 -0.492 18832 5351 1 18 . 1 1 23 23 ARG N N 23 122.190 122.190 120.691 1.499 18832 5352 1 18 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.560 -0.214 18832 5353 1 18 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.690 -0.199 18832 5354 1 18 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.487 -0.787 18832 5355 1 18 . 1 1 23 23 ARG H H 23 8.887 8.887 8.976 -0.089 18832 5356 1 18 . 1 1 24 24 GLY N N 24 105.320 105.320 106.385 -1.065 18832 5357 1 18 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.994 -0.494 18832 5358 1 18 . 1 1 24 24 GLY H H 24 7.258 7.258 7.611 -0.352 18832 5359 1 18 . 1 1 25 25 ALA N N 25 122.190 122.190 121.345 0.845 18832 5360 1 18 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.245 -0.079 18832 5361 1 18 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.897 0.543 18832 5362 1 18 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.459 -0.689 18832 5363 1 18 . 1 1 25 25 ALA H H 25 8.627 8.627 8.334 0.293 18832 5364 1 18 . 1 1 26 26 ASP N N 26 114.690 114.690 117.014 -2.324 18832 5365 1 18 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.438 0.262 18832 5366 1 18 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.969 -2.099 18832 5367 1 18 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.991 -0.601 18832 5368 1 18 . 1 1 26 26 ASP H H 26 8.955 8.955 8.682 0.273 18832 5369 1 18 . 1 1 27 27 GLU N N 27 118.910 118.910 116.984 1.926 18832 5370 1 18 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.483 0.719 18832 5371 1 18 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.429 -0.499 18832 5372 1 18 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.092 0.788 18832 5373 1 18 . 1 1 27 27 GLU H H 27 7.537 7.537 7.848 -0.311 18832 5374 1 18 . 1 1 28 28 LEU N N 28 121.490 121.490 120.386 1.104 18832 5375 1 18 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.684 0.072 18832 5376 1 18 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.754 -0.634 18832 5377 1 18 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.645 -1.145 18832 5378 1 18 . 1 1 28 28 LEU H H 28 8.890 8.890 8.415 0.475 18832 5379 1 18 . 1 1 29 29 SER N N 29 115.870 115.870 119.485 -3.615 18832 5380 1 18 . 1 1 29 29 SER HA H 29 5.009 5.009 4.800 0.209 18832 5381 1 18 . 1 1 29 29 SER CA C 29 58.470 58.470 58.318 0.152 18832 5382 1 18 . 1 1 29 29 SER CB C 29 63.690 63.690 63.445 0.245 18832 5383 1 18 . 1 1 29 29 SER H H 29 7.948 7.948 8.483 -0.535 18832 5384 1 18 . 1 1 30 30 LEU N N 30 121.260 121.260 125.599 -4.339 18832 5385 1 18 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.775 0.001 18832 5386 1 18 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.055 -1.115 18832 5387 1 18 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.304 1.066 18832 5388 1 18 . 1 1 30 30 LEU H H 30 9.500 9.500 8.224 1.276 18832 5389 1 18 . 1 1 31 31 GLN N N 31 123.130 123.130 118.551 4.579 18832 5390 1 18 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.385 -0.320 18832 5391 1 18 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.250 -0.310 18832 5392 1 18 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.316 -2.126 18832 5393 1 18 . 1 1 31 31 GLN H H 31 9.147 9.147 8.186 0.961 18832 5394 1 18 . 1 1 32 32 ILE N N 32 120.790 120.790 120.072 0.718 18832 5395 1 18 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.076 -1.044 18832 5396 1 18 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.403 0.847 18832 5397 1 18 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.790 0.150 18832 5398 1 18 . 1 1 32 32 ILE H H 32 8.016 8.016 8.316 -0.300 18832 5399 1 18 . 1 1 33 33 GLY N N 33 115.870 115.870 115.489 0.381 18832 5400 1 18 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.668 -0.168 18832 5401 1 18 . 1 1 33 33 GLY H H 33 8.775 8.775 9.032 -0.257 18832 5402 1 18 . 1 1 34 34 ASP N N 34 122.430 122.430 122.305 0.125 18832 5403 1 18 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.927 -0.293 18832 5404 1 18 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.035 1.825 18832 5405 1 18 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.426 -1.117 18832 5406 1 18 . 1 1 34 34 ASP H H 34 8.686 8.686 7.853 0.833 18832 5407 1 18 . 1 1 35 35 THR N N 35 117.980 117.980 117.181 0.799 18832 5408 1 18 . 1 1 35 35 THR HA H 35 5.154 5.154 4.773 0.381 18832 5409 1 18 . 1 1 35 35 THR CA C 35 61.450 61.450 62.010 -0.560 18832 5410 1 18 . 1 1 35 35 THR CB C 35 69.090 69.090 69.906 -0.816 18832 5411 1 18 . 1 1 35 35 THR H H 35 8.392 8.392 8.514 -0.122 18832 5412 1 18 . 1 1 36 36 VAL N N 36 118.200 118.200 117.610 0.590 18832 5413 1 18 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.506 0.646 18832 5414 1 18 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.772 -1.862 18832 5415 1 18 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.816 -0.626 18832 5416 1 18 . 1 1 36 36 VAL H H 36 9.016 9.016 8.667 0.349 18832 5417 1 18 . 1 1 37 37 HIS N N 37 122.190 122.190 125.810 -3.620 18832 5418 1 18 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.906 -0.095 18832 5419 1 18 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.013 -1.453 18832 5420 1 18 . 1 1 37 37 HIS CB C 37 31.260 31.260 29.783 1.477 18832 5421 1 18 . 1 1 37 37 HIS H H 37 8.491 8.491 7.971 0.520 18832 5422 1 18 . 1 1 38 38 ILE N N 38 126.650 126.650 128.307 -1.657 18832 5423 1 18 . 1 1 38 38 ILE HA H 38 3.750 3.750 3.885 -0.135 18832 5424 1 18 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.901 -1.261 18832 5425 1 18 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.310 1.570 18832 5426 1 18 . 1 1 38 38 ILE H H 38 8.638 8.638 8.618 0.020 18832 5427 1 18 . 1 1 39 39 LEU N N 39 126.180 126.180 129.294 -3.114 18832 5428 1 18 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.576 -0.196 18832 5429 1 18 . 1 1 39 39 LEU CA C 39 55.490 55.490 56.551 -1.061 18832 5430 1 18 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.079 -0.329 18832 5431 1 18 . 1 1 39 39 LEU H H 39 9.163 9.163 8.994 0.169 18832 5432 1 18 . 1 1 40 40 GLU N N 40 115.160 115.160 114.810 0.350 18832 5433 1 18 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.738 0.282 18832 5434 1 18 . 1 1 40 40 GLU CA C 40 55.090 55.090 54.775 0.315 18832 5435 1 18 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.717 2.013 18832 5436 1 18 . 1 1 40 40 GLU H H 40 7.852 7.852 8.233 -0.381 18832 5437 1 18 . 1 1 41 41 THR HA H 41 4.270 4.270 4.577 -0.307 18832 5438 1 18 . 1 1 41 41 THR CA C 41 61.250 61.250 59.967 1.283 18832 5439 1 18 . 1 1 41 41 THR CB C 41 71.410 71.410 69.717 1.693 18832 5440 1 18 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.532 0.018 18832 5441 1 18 . 1 1 43 43 GLU N N 43 124.100 124.100 121.225 2.875 18832 5442 1 18 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.594 -0.854 18832 5443 1 18 . 1 1 43 43 GLU H H 43 8.590 8.590 8.593 -0.003 18832 5444 1 18 . 1 1 44 44 GLY N N 44 110.789 110.789 113.545 -2.756 18832 5445 1 18 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.711 -0.271 18832 5446 1 18 . 1 1 44 44 GLY H H 44 8.432 8.432 8.789 -0.357 18832 5447 1 18 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.601 0.089 18832 5448 1 18 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.863 1.687 18832 5449 1 18 . 1 1 46 46 TYR HA H 46 5.600 5.600 5.129 0.471 18832 5450 1 18 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.605 -0.545 18832 5451 1 18 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.039 1.611 18832 5452 1 18 . 1 1 47 47 ARG N N 47 118.100 118.100 122.162 -4.062 18832 5453 1 18 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.730 0.364 18832 5454 1 18 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.597 -0.537 18832 5455 1 18 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.274 -0.024 18832 5456 1 18 . 1 1 47 47 ARG H H 47 8.492 8.492 8.636 -0.144 18832 5457 1 18 . 1 1 48 48 GLY N N 48 114.000 114.000 111.849 2.151 18832 5458 1 18 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.605 0.956 18832 5459 1 18 . 1 1 48 48 GLY H H 48 9.183 9.183 9.013 0.170 18832 5460 1 18 . 1 1 49 49 TYR N N 49 116.100 116.100 115.128 0.972 18832 5461 1 18 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.223 0.150 18832 5462 1 18 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.746 -0.636 18832 5463 1 18 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.607 0.143 18832 5464 1 18 . 1 1 49 49 TYR H H 49 8.194 8.194 8.039 0.155 18832 5465 1 18 . 1 1 50 50 THR N N 50 112.350 112.350 116.166 -3.816 18832 5466 1 18 . 1 1 50 50 THR HA H 50 5.105 5.105 4.489 0.616 18832 5467 1 18 . 1 1 50 50 THR CA C 50 59.770 59.770 60.937 -1.167 18832 5468 1 18 . 1 1 50 50 THR CB C 50 69.460 69.460 69.794 -0.334 18832 5469 1 18 . 1 1 50 50 THR H H 50 9.441 9.441 8.829 0.612 18832 5470 1 18 . 1 1 51 51 LEU N N 51 121.260 121.260 120.815 0.445 18832 5471 1 18 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.143 0.093 18832 5472 1 18 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.816 -0.026 18832 5473 1 18 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.086 -1.086 18832 5474 1 18 . 1 1 51 51 LEU H H 51 8.310 8.310 7.925 0.385 18832 5475 1 18 . 1 1 52 52 ARG N N 52 116.570 116.570 118.598 -2.028 18832 5476 1 18 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.134 0.116 18832 5477 1 18 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.513 -1.163 18832 5478 1 18 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.380 0.130 18832 5479 1 18 . 1 1 52 52 ARG H H 52 8.047 8.047 8.426 -0.379 18832 5480 1 18 . 1 1 53 53 LYS N N 53 122.660 122.660 117.242 5.418 18832 5481 1 18 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.645 -0.029 18832 5482 1 18 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.366 -0.746 18832 5483 1 18 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.535 1.325 18832 5484 1 18 . 1 1 53 53 LYS H H 53 7.649 7.649 8.014 -0.365 18832 5485 1 18 . 1 1 54 54 LYS N N 54 125.010 125.010 120.972 4.038 18832 5486 1 18 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.310 -0.220 18832 5487 1 18 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.697 -0.227 18832 5488 1 18 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.444 -0.314 18832 5489 1 18 . 1 1 54 54 LYS H H 54 8.496 8.496 8.435 0.061 18832 5490 1 18 . 1 1 55 55 SER N N 55 110.240 110.240 115.337 -5.097 18832 5491 1 18 . 1 1 55 55 SER HA H 55 4.122 4.122 4.176 -0.054 18832 5492 1 18 . 1 1 55 55 SER CA C 55 58.960 58.960 60.213 -1.253 18832 5493 1 18 . 1 1 55 55 SER CB C 55 63.310 63.310 63.145 0.165 18832 5494 1 18 . 1 1 55 55 SER H H 55 7.857 7.857 8.133 -0.276 18832 5495 1 18 . 1 1 56 56 LYS N N 56 124.070 124.070 123.458 0.612 18832 5496 1 18 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.206 0.462 18832 5497 1 18 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.151 -1.341 18832 5498 1 18 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.564 0.686 18832 5499 1 18 . 1 1 56 56 LYS H H 56 7.473 7.473 8.009 -0.536 18832 5500 1 18 . 1 1 57 57 LYS N N 57 125.940 125.940 125.269 0.671 18832 5501 1 18 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.652 0.689 18832 5502 1 18 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.951 -1.331 18832 5503 1 18 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.732 -0.492 18832 5504 1 18 . 1 1 57 57 LYS H H 57 8.474 8.474 8.143 0.331 18832 5505 1 18 . 1 1 58 58 GLY N N 58 109.540 109.540 108.015 1.525 18832 5506 1 18 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.783 0.837 18832 5507 1 18 . 1 1 58 58 GLY H H 58 9.075 9.075 8.548 0.527 18832 5508 1 18 . 1 1 59 59 ILE N N 59 113.900 113.900 115.379 -1.479 18832 5509 1 18 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.871 1.129 18832 5510 1 18 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.425 1.165 18832 5511 1 18 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.707 0.433 18832 5512 1 18 . 1 1 59 59 ILE H H 59 8.628 8.628 7.728 0.900 18832 5513 1 18 . 1 1 60 60 PHE N N 60 117.040 117.040 116.798 0.242 18832 5514 1 18 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.303 -0.183 18832 5515 1 18 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.511 -0.451 18832 5516 1 18 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.781 -2.591 18832 5517 1 18 . 1 1 60 60 PHE H H 60 8.724 8.724 8.549 0.175 18832 5518 1 18 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.671 -1.191 18832 5519 1 18 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.173 0.027 18832 5520 1 18 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.574 -1.384 18832 5521 1 18 . 1 1 62 62 ALA N N 62 124.770 124.770 125.929 -1.159 18832 5522 1 18 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.000 -0.290 18832 5523 1 18 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.251 0.119 18832 5524 1 18 . 1 1 62 62 ALA CB C 62 17.650 17.650 17.933 -0.283 18832 5525 1 18 . 1 1 62 62 ALA H H 62 7.898 7.898 8.296 -0.398 18832 5526 1 18 . 1 1 63 63 SER N N 63 109.700 109.700 113.928 -4.228 18832 5527 1 18 . 1 1 63 63 SER HA H 63 4.200 4.200 4.222 -0.022 18832 5528 1 18 . 1 1 63 63 SER CA C 63 59.400 59.400 60.159 -0.759 18832 5529 1 18 . 1 1 63 63 SER CB C 63 62.380 62.380 62.659 -0.279 18832 5530 1 18 . 1 1 63 63 SER H H 63 8.030 8.030 8.166 -0.136 18832 5531 1 18 . 1 1 64 64 TYR N N 64 120.300 120.300 115.291 5.009 18832 5532 1 18 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.309 -0.059 18832 5533 1 18 . 1 1 64 64 TYR CA C 64 57.720 57.720 55.457 2.263 18832 5534 1 18 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.730 -0.170 18832 5535 1 18 . 1 1 64 64 TYR H H 64 7.128 7.128 6.836 0.292 18832 5536 1 18 . 1 1 65 65 ILE N N 65 118.000 118.000 121.197 -3.197 18832 5537 1 18 . 1 1 65 65 ILE HA H 65 4.810 4.810 5.015 -0.205 18832 5538 1 18 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.240 -2.260 18832 5539 1 18 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.546 0.084 18832 5540 1 18 . 1 1 65 65 ILE H H 65 7.671 7.671 7.446 0.225 18832 5541 1 18 . 1 1 66 66 HIS N N 66 124.300 124.300 127.174 -2.874 18832 5542 1 18 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.900 0.230 18832 5543 1 18 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.682 -1.622 18832 5544 1 18 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.198 -2.688 18832 5545 1 18 . 1 1 66 66 HIS H H 66 9.159 9.159 8.868 0.291 18832 5546 1 18 . 1 1 67 67 LEU N N 67 127.580 127.580 128.180 -0.600 18832 5547 1 18 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.303 0.267 18832 5548 1 18 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.445 -1.145 18832 5549 1 18 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.269 -0.209 18832 5550 1 18 . 1 1 67 67 LEU H H 67 8.992 8.992 8.753 0.239 18832 5551 1 18 . 1 1 68 68 LYS N N 68 121.900 121.900 122.568 -0.668 18832 5552 1 18 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.651 -0.161 18832 5553 1 18 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.403 0.708 18832 5554 1 18 . 1 1 68 68 LYS CB C 68 34.610 34.610 36.013 -1.403 18832 5555 1 18 . 1 1 68 68 LYS H H 68 8.499 8.499 8.393 0.105 18832 5556 1 18 . 1 1 69 69 GLU N N 69 122.190 122.190 121.465 0.725 18832 5557 1 18 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.166 0.114 18832 5558 1 18 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.051 0.559 18832 5559 1 18 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.516 0.814 18832 5560 1 18 . 1 1 69 69 GLU H H 69 8.569 8.569 8.638 -0.069 18832 5561 1 18 . 1 1 70 70 ALA N N 70 123.370 123.370 127.845 -4.475 18832 5562 1 18 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.046 0.154 18832 5563 1 18 . 1 1 70 70 ALA CA C 70 51.810 51.810 51.398 0.412 18832 5564 1 18 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.488 1.212 18832 5565 1 18 . 1 1 70 70 ALA H H 70 8.181 8.181 8.007 0.174 18832 5566 1 18 . 1 1 71 71 ILE N N 71 120.080 120.080 122.221 -2.141 18832 5567 1 18 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.177 -0.107 18832 5568 1 18 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.898 -1.569 18832 5569 1 18 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.380 0.310 18832 5570 1 18 . 1 1 71 71 ILE H H 71 7.776 7.776 7.879 -0.103 18832 5571 1 18 . 1 1 72 72 VAL N N 72 124.540 124.540 127.103 -2.563 18832 5572 1 18 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.211 -0.141 18832 5573 1 18 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.748 -0.108 18832 5574 1 18 . 1 1 72 72 VAL CB C 72 32.690 32.690 30.983 1.707 18832 5575 1 18 . 1 1 72 72 VAL H H 72 8.089 8.089 8.365 -0.276 18832 5576 1 18 . 1 1 73 73 GLU N N 73 125.940 125.940 124.415 1.525 18832 5577 1 18 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.162 0.118 18832 5578 1 18 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.350 0.260 18832 5579 1 18 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.956 0.754 18832 5580 1 18 . 1 1 73 73 GLU H H 73 8.464 8.464 8.601 -0.137 18832 5581 1 19 . 1 1 2 2 THR N N 2 116.400 116.400 115.088 1.312 18832 5582 1 19 . 1 1 2 2 THR HA H 2 4.120 4.120 4.278 -0.158 18832 5583 1 19 . 1 1 2 2 THR CA C 2 62.100 62.100 62.616 -0.516 18832 5584 1 19 . 1 1 2 2 THR CB C 2 69.440 69.440 69.560 -0.120 18832 5585 1 19 . 1 1 2 2 THR H H 2 8.150 8.150 7.878 0.272 18832 5586 1 19 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.408 -0.098 18832 5587 1 19 . 1 1 3 3 ARG CA C 3 55.750 55.750 56.292 -0.542 18832 5588 1 19 . 1 1 3 3 ARG CB C 3 30.620 30.620 30.476 0.144 18832 5589 1 19 . 1 1 4 4 TRP N N 4 123.300 123.300 122.703 0.597 18832 5590 1 19 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.702 -0.222 18832 5591 1 19 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.675 0.885 18832 5592 1 19 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.689 -1.199 18832 5593 1 19 . 1 1 4 4 TRP H H 4 8.108 8.108 8.046 0.062 18832 5594 1 19 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.296 0.274 18832 5595 1 19 . 1 1 5 5 VAL CB C 5 30.840 30.840 33.910 -3.070 18832 5596 1 19 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.468 0.342 18832 5597 1 19 . 1 1 6 6 PRO CB C 6 32.210 32.210 32.653 -0.443 18832 5598 1 19 . 1 1 7 7 THR HA H 7 4.270 4.270 4.076 0.194 18832 5599 1 19 . 1 1 7 7 THR CA C 7 60.890 60.890 62.202 -1.312 18832 5600 1 19 . 1 1 7 7 THR CB C 7 70.140 70.140 68.262 1.878 18832 5601 1 19 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.323 0.117 18832 5602 1 19 . 1 1 8 8 LYS CA C 8 55.980 55.980 56.590 -0.610 18832 5603 1 19 . 1 1 8 8 LYS CB C 8 35.050 35.050 31.136 3.914 18832 5604 1 19 . 1 1 10 10 GLU HA H 10 4.580 4.580 3.944 0.636 18832 5605 1 19 . 1 1 10 10 GLU CA C 10 55.570 55.570 58.770 -3.200 18832 5606 1 19 . 1 1 10 10 GLU CB C 10 30.780 30.780 29.276 1.504 18832 5607 1 19 . 1 1 11 11 GLU N N 11 122.500 122.500 117.059 5.441 18832 5608 1 19 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.364 -0.024 18832 5609 1 19 . 1 1 11 11 GLU CA C 11 57.140 57.140 55.404 1.736 18832 5610 1 19 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.979 -1.579 18832 5611 1 19 . 1 1 11 11 GLU H H 11 8.271 8.271 8.215 0.056 18832 5612 1 19 . 1 1 12 12 LYS HA H 12 4.380 4.380 3.977 0.403 18832 5613 1 19 . 1 1 12 12 LYS CA C 12 55.790 55.790 58.611 -2.821 18832 5614 1 19 . 1 1 12 12 LYS CB C 12 33.600 33.600 32.525 1.075 18832 5615 1 19 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.548 1.012 18832 5616 1 19 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.415 0.445 18832 5617 1 19 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.873 2.567 18832 5618 1 19 . 1 1 14 14 GLY N N 14 105.320 105.320 106.790 -1.470 18832 5619 1 19 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.621 0.619 18832 5620 1 19 . 1 1 14 14 GLY H H 14 8.401 8.401 8.918 -0.517 18832 5621 1 19 . 1 1 15 15 VAL N N 15 118.900 118.900 118.573 0.327 18832 5622 1 19 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.690 0.651 18832 5623 1 19 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.729 -1.519 18832 5624 1 19 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.345 -0.605 18832 5625 1 19 . 1 1 15 15 VAL H H 15 8.851 8.851 8.863 -0.012 18832 5626 1 19 . 1 1 16 16 ALA N N 16 129.460 129.460 124.993 4.467 18832 5627 1 19 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.382 -0.382 18832 5628 1 19 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.357 1.643 18832 5629 1 19 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.413 -2.083 18832 5630 1 19 . 1 1 16 16 ALA H H 16 9.113 9.113 8.641 0.472 18832 5631 1 19 . 1 1 17 17 PHE N N 17 124.070 124.070 122.215 1.855 18832 5632 1 19 . 1 1 17 17 PHE HA H 17 4.801 4.801 5.053 -0.252 18832 5633 1 19 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.204 0.026 18832 5634 1 19 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.544 1.456 18832 5635 1 19 . 1 1 17 17 PHE H H 17 8.787 8.787 8.018 0.769 18832 5636 1 19 . 1 1 18 18 TYR N N 18 118.210 118.210 122.785 -4.575 18832 5637 1 19 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.379 0.104 18832 5638 1 19 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.456 -2.156 18832 5639 1 19 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.280 0.530 18832 5640 1 19 . 1 1 18 18 TYR H H 18 7.281 7.281 7.548 -0.267 18832 5641 1 19 . 1 1 19 19 ASN N N 19 116.800 116.800 119.269 -2.469 18832 5642 1 19 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.830 -0.120 18832 5643 1 19 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.725 0.215 18832 5644 1 19 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.913 0.147 18832 5645 1 19 . 1 1 19 19 ASN H H 19 8.134 8.134 8.136 -0.002 18832 5646 1 19 . 1 1 20 20 TYR N N 20 122.190 122.190 123.706 -1.516 18832 5647 1 19 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.652 0.035 18832 5648 1 19 . 1 1 20 20 TYR CA C 20 57.720 57.720 56.411 1.309 18832 5649 1 19 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.568 1.682 18832 5650 1 19 . 1 1 20 20 TYR H H 20 8.993 8.993 8.122 0.871 18832 5651 1 19 . 1 1 21 21 ASP N N 21 128.520 128.520 124.881 3.639 18832 5652 1 19 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.711 0.079 18832 5653 1 19 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.105 0.265 18832 5654 1 19 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.460 -1.330 18832 5655 1 19 . 1 1 21 21 ASP H H 21 7.838 7.838 8.364 -0.526 18832 5656 1 19 . 1 1 22 22 ALA N N 22 125.240 125.240 125.190 0.050 18832 5657 1 19 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.085 -0.034 18832 5658 1 19 . 1 1 22 22 ALA CA C 22 52.940 52.940 51.833 1.107 18832 5659 1 19 . 1 1 22 22 ALA CB C 22 20.450 20.450 20.136 0.315 18832 5660 1 19 . 1 1 22 22 ALA H H 22 8.103 8.103 8.193 -0.090 18832 5661 1 19 . 1 1 23 23 ARG N N 23 122.190 122.190 121.683 0.507 18832 5662 1 19 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.303 0.043 18832 5663 1 19 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.482 -0.992 18832 5664 1 19 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.928 -0.228 18832 5665 1 19 . 1 1 23 23 ARG H H 23 8.887 8.887 8.624 0.263 18832 5666 1 19 . 1 1 24 24 GLY N N 24 105.320 105.320 106.160 -0.840 18832 5667 1 19 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.039 -0.539 18832 5668 1 19 . 1 1 24 24 GLY H H 24 7.258 7.258 7.548 -0.290 18832 5669 1 19 . 1 1 25 25 ALA N N 25 122.190 122.190 121.957 0.233 18832 5670 1 19 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.222 -0.056 18832 5671 1 19 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.869 0.571 18832 5672 1 19 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.121 -0.351 18832 5673 1 19 . 1 1 25 25 ALA H H 25 8.627 8.627 8.372 0.255 18832 5674 1 19 . 1 1 26 26 ASP N N 26 114.690 114.690 116.887 -2.197 18832 5675 1 19 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.406 0.294 18832 5676 1 19 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.466 -2.596 18832 5677 1 19 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.998 -0.608 18832 5678 1 19 . 1 1 26 26 ASP H H 26 8.955 8.955 8.680 0.275 18832 5679 1 19 . 1 1 27 27 GLU N N 27 118.910 118.910 116.745 2.165 18832 5680 1 19 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.634 0.568 18832 5681 1 19 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.587 -0.657 18832 5682 1 19 . 1 1 27 27 GLU CB C 27 32.880 32.880 33.141 -0.261 18832 5683 1 19 . 1 1 27 27 GLU H H 27 7.537 7.537 7.598 -0.061 18832 5684 1 19 . 1 1 28 28 LEU N N 28 121.490 121.490 119.170 2.320 18832 5685 1 19 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.693 0.063 18832 5686 1 19 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.739 -0.619 18832 5687 1 19 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.777 -1.277 18832 5688 1 19 . 1 1 28 28 LEU H H 28 8.890 8.890 8.741 0.149 18832 5689 1 19 . 1 1 29 29 SER N N 29 115.870 115.870 118.832 -2.962 18832 5690 1 19 . 1 1 29 29 SER HA H 29 5.009 5.009 4.396 0.613 18832 5691 1 19 . 1 1 29 29 SER CA C 29 58.470 58.470 58.270 0.200 18832 5692 1 19 . 1 1 29 29 SER CB C 29 63.690 63.690 63.234 0.456 18832 5693 1 19 . 1 1 29 29 SER H H 29 7.948 7.948 8.397 -0.449 18832 5694 1 19 . 1 1 30 30 LEU N N 30 121.260 121.260 128.593 -7.333 18832 5695 1 19 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.744 0.032 18832 5696 1 19 . 1 1 30 30 LEU CA C 30 52.940 52.940 53.664 -0.724 18832 5697 1 19 . 1 1 30 30 LEU CB C 30 46.370 46.370 44.574 1.796 18832 5698 1 19 . 1 1 30 30 LEU H H 30 9.500 9.500 8.267 1.233 18832 5699 1 19 . 1 1 31 31 GLN N N 31 123.130 123.130 119.646 3.484 18832 5700 1 19 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.146 -0.081 18832 5701 1 19 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.815 -0.875 18832 5702 1 19 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.851 -1.661 18832 5703 1 19 . 1 1 31 31 GLN H H 31 9.147 9.147 8.458 0.689 18832 5704 1 19 . 1 1 32 32 ILE N N 32 120.790 120.790 121.317 -0.527 18832 5705 1 19 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.074 -1.042 18832 5706 1 19 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.778 1.472 18832 5707 1 19 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.935 0.005 18832 5708 1 19 . 1 1 32 32 ILE H H 32 8.016 8.016 8.204 -0.188 18832 5709 1 19 . 1 1 33 33 GLY N N 33 115.870 115.870 114.941 0.929 18832 5710 1 19 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.705 -0.205 18832 5711 1 19 . 1 1 33 33 GLY H H 33 8.775 8.775 8.793 -0.018 18832 5712 1 19 . 1 1 34 34 ASP N N 34 122.430 122.430 122.605 -0.175 18832 5713 1 19 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.936 -0.302 18832 5714 1 19 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.753 2.107 18832 5715 1 19 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.040 -0.730 18832 5716 1 19 . 1 1 34 34 ASP H H 34 8.686 8.686 7.819 0.867 18832 5717 1 19 . 1 1 35 35 THR N N 35 117.980 117.980 118.038 -0.058 18832 5718 1 19 . 1 1 35 35 THR HA H 35 5.154 5.154 4.744 0.410 18832 5719 1 19 . 1 1 35 35 THR CA C 35 61.450 61.450 62.175 -0.725 18832 5720 1 19 . 1 1 35 35 THR CB C 35 69.090 69.090 69.405 -0.315 18832 5721 1 19 . 1 1 35 35 THR H H 35 8.392 8.392 8.552 -0.160 18832 5722 1 19 . 1 1 36 36 VAL N N 36 118.200 118.200 119.325 -1.125 18832 5723 1 19 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.558 0.594 18832 5724 1 19 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.102 -2.192 18832 5725 1 19 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.486 -0.296 18832 5726 1 19 . 1 1 36 36 VAL H H 36 9.016 9.016 8.740 0.276 18832 5727 1 19 . 1 1 37 37 HIS N N 37 122.190 122.190 126.496 -4.306 18832 5728 1 19 . 1 1 37 37 HIS HA H 37 4.811 4.811 5.050 -0.239 18832 5729 1 19 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.000 -1.440 18832 5730 1 19 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.547 0.713 18832 5731 1 19 . 1 1 37 37 HIS H H 37 8.491 8.491 8.956 -0.465 18832 5732 1 19 . 1 1 38 38 ILE N N 38 126.650 126.650 127.023 -0.373 18832 5733 1 19 . 1 1 38 38 ILE HA H 38 3.750 3.750 3.909 -0.159 18832 5734 1 19 . 1 1 38 38 ILE CA C 38 61.640 61.640 63.257 -1.617 18832 5735 1 19 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.318 0.562 18832 5736 1 19 . 1 1 38 38 ILE H H 38 8.638 8.638 8.741 -0.103 18832 5737 1 19 . 1 1 39 39 LEU N N 39 126.180 126.180 126.284 -0.104 18832 5738 1 19 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.589 -0.209 18832 5739 1 19 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.835 0.655 18832 5740 1 19 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.565 -0.815 18832 5741 1 19 . 1 1 39 39 LEU H H 39 9.163 9.163 8.863 0.300 18832 5742 1 19 . 1 1 40 40 GLU N N 40 115.160 115.160 117.491 -2.331 18832 5743 1 19 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.496 0.524 18832 5744 1 19 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.447 -0.357 18832 5745 1 19 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.922 1.808 18832 5746 1 19 . 1 1 40 40 GLU H H 40 7.852 7.852 8.372 -0.520 18832 5747 1 19 . 1 1 41 41 THR HA H 41 4.270 4.270 4.684 -0.414 18832 5748 1 19 . 1 1 41 41 THR CA C 41 61.250 61.250 59.909 1.341 18832 5749 1 19 . 1 1 41 41 THR CB C 41 71.410 71.410 70.900 0.510 18832 5750 1 19 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.394 0.156 18832 5751 1 19 . 1 1 43 43 GLU N N 43 124.100 124.100 119.982 4.118 18832 5752 1 19 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.128 -0.388 18832 5753 1 19 . 1 1 43 43 GLU H H 43 8.590 8.590 8.276 0.314 18832 5754 1 19 . 1 1 44 44 GLY N N 44 110.789 110.789 110.886 -0.097 18832 5755 1 19 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.154 0.286 18832 5756 1 19 . 1 1 44 44 GLY H H 44 8.432 8.432 8.669 -0.237 18832 5757 1 19 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.541 0.149 18832 5758 1 19 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.328 1.222 18832 5759 1 19 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.957 0.643 18832 5760 1 19 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.542 -0.482 18832 5761 1 19 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.468 1.182 18832 5762 1 19 . 1 1 47 47 ARG N N 47 118.100 118.100 121.952 -3.852 18832 5763 1 19 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.090 0.004 18832 5764 1 19 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.306 -0.246 18832 5765 1 19 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.850 -0.600 18832 5766 1 19 . 1 1 47 47 ARG H H 47 8.492 8.492 8.933 -0.441 18832 5767 1 19 . 1 1 48 48 GLY N N 48 114.000 114.000 113.086 0.914 18832 5768 1 19 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.835 0.725 18832 5769 1 19 . 1 1 48 48 GLY H H 48 9.183 9.183 9.035 0.148 18832 5770 1 19 . 1 1 49 49 TYR N N 49 116.100 116.100 115.831 0.269 18832 5771 1 19 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.499 -0.126 18832 5772 1 19 . 1 1 49 49 TYR CA C 49 55.110 55.110 54.780 0.330 18832 5773 1 19 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.597 0.153 18832 5774 1 19 . 1 1 49 49 TYR H H 49 8.194 8.194 7.911 0.283 18832 5775 1 19 . 1 1 50 50 THR N N 50 112.350 112.350 114.925 -2.575 18832 5776 1 19 . 1 1 50 50 THR HA H 50 5.105 5.105 4.713 0.392 18832 5777 1 19 . 1 1 50 50 THR CA C 50 59.770 59.770 61.381 -1.611 18832 5778 1 19 . 1 1 50 50 THR CB C 50 69.460 69.460 70.163 -0.703 18832 5779 1 19 . 1 1 50 50 THR H H 50 9.441 9.441 8.793 0.648 18832 5780 1 19 . 1 1 51 51 LEU N N 51 121.260 121.260 121.113 0.147 18832 5781 1 19 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.208 0.028 18832 5782 1 19 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.465 -0.675 18832 5783 1 19 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.040 -1.040 18832 5784 1 19 . 1 1 51 51 LEU H H 51 8.310 8.310 8.226 0.084 18832 5785 1 19 . 1 1 52 52 ARG N N 52 116.570 116.570 118.050 -1.480 18832 5786 1 19 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.121 0.129 18832 5787 1 19 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.017 -0.667 18832 5788 1 19 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.485 0.025 18832 5789 1 19 . 1 1 52 52 ARG H H 52 8.047 8.047 8.552 -0.505 18832 5790 1 19 . 1 1 53 53 LYS N N 53 122.660 122.660 116.470 6.190 18832 5791 1 19 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.576 0.040 18832 5792 1 19 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.590 -0.970 18832 5793 1 19 . 1 1 53 53 LYS CB C 53 32.860 32.860 32.831 0.029 18832 5794 1 19 . 1 1 53 53 LYS H H 53 7.649 7.649 7.262 0.387 18832 5795 1 19 . 1 1 54 54 LYS N N 54 125.010 125.010 123.461 1.549 18832 5796 1 19 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.059 0.031 18832 5797 1 19 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.417 0.053 18832 5798 1 19 . 1 1 54 54 LYS CB C 54 32.130 32.130 31.640 0.490 18832 5799 1 19 . 1 1 54 54 LYS H H 54 8.496 8.496 8.697 -0.201 18832 5800 1 19 . 1 1 55 55 SER N N 55 110.240 110.240 112.104 -1.864 18832 5801 1 19 . 1 1 55 55 SER HA H 55 4.122 4.122 4.239 -0.117 18832 5802 1 19 . 1 1 55 55 SER CA C 55 58.960 58.960 60.077 -1.117 18832 5803 1 19 . 1 1 55 55 SER CB C 55 63.310 63.310 63.016 0.294 18832 5804 1 19 . 1 1 55 55 SER H H 55 7.857 7.857 7.962 -0.105 18832 5805 1 19 . 1 1 56 56 LYS N N 56 124.070 124.070 121.154 2.916 18832 5806 1 19 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.310 0.358 18832 5807 1 19 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.240 -1.430 18832 5808 1 19 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.513 -0.263 18832 5809 1 19 . 1 1 56 56 LYS H H 56 7.473 7.473 7.325 0.148 18832 5810 1 19 . 1 1 57 57 LYS N N 57 125.940 125.940 124.805 1.135 18832 5811 1 19 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.776 0.565 18832 5812 1 19 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.074 -0.454 18832 5813 1 19 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.419 -1.179 18832 5814 1 19 . 1 1 57 57 LYS H H 57 8.474 8.474 8.346 0.128 18832 5815 1 19 . 1 1 58 58 GLY N N 58 109.540 109.540 112.589 -3.049 18832 5816 1 19 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.559 1.061 18832 5817 1 19 . 1 1 58 58 GLY H H 58 9.075 9.075 8.788 0.287 18832 5818 1 19 . 1 1 59 59 ILE N N 59 113.900 113.900 115.500 -1.600 18832 5819 1 19 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.089 0.911 18832 5820 1 19 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.538 1.052 18832 5821 1 19 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.841 0.299 18832 5822 1 19 . 1 1 59 59 ILE H H 59 8.628 8.628 8.191 0.437 18832 5823 1 19 . 1 1 60 60 PHE N N 60 117.040 117.040 116.949 0.091 18832 5824 1 19 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.514 -0.394 18832 5825 1 19 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.023 -0.963 18832 5826 1 19 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.397 -3.207 18832 5827 1 19 . 1 1 60 60 PHE H H 60 8.724 8.724 8.728 -0.004 18832 5828 1 19 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.634 -1.154 18832 5829 1 19 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.082 0.118 18832 5830 1 19 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.948 -1.758 18832 5831 1 19 . 1 1 62 62 ALA N N 62 124.770 124.770 125.534 -0.764 18832 5832 1 19 . 1 1 62 62 ALA HA H 62 3.710 3.710 3.987 -0.277 18832 5833 1 19 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.288 0.082 18832 5834 1 19 . 1 1 62 62 ALA CB C 62 17.650 17.650 17.981 -0.331 18832 5835 1 19 . 1 1 62 62 ALA H H 62 7.898 7.898 8.274 -0.376 18832 5836 1 19 . 1 1 63 63 SER N N 63 109.700 109.700 115.596 -5.896 18832 5837 1 19 . 1 1 63 63 SER HA H 63 4.200 4.200 4.208 -0.008 18832 5838 1 19 . 1 1 63 63 SER CA C 63 59.400 59.400 60.511 -1.111 18832 5839 1 19 . 1 1 63 63 SER CB C 63 62.380 62.380 62.427 -0.047 18832 5840 1 19 . 1 1 63 63 SER H H 63 8.030 8.030 8.460 -0.430 18832 5841 1 19 . 1 1 64 64 TYR N N 64 120.300 120.300 113.365 6.935 18832 5842 1 19 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.417 -0.167 18832 5843 1 19 . 1 1 64 64 TYR CA C 64 57.720 57.720 54.494 3.226 18832 5844 1 19 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.849 -0.289 18832 5845 1 19 . 1 1 64 64 TYR H H 64 7.128 7.128 6.857 0.271 18832 5846 1 19 . 1 1 65 65 ILE N N 65 118.000 118.000 121.591 -3.591 18832 5847 1 19 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.721 0.089 18832 5848 1 19 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.810 -2.830 18832 5849 1 19 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.714 0.916 18832 5850 1 19 . 1 1 65 65 ILE H H 65 7.671 7.671 7.356 0.315 18832 5851 1 19 . 1 1 66 66 HIS N N 66 124.300 124.300 126.557 -2.257 18832 5852 1 19 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.885 0.245 18832 5853 1 19 . 1 1 66 66 HIS CA C 66 53.060 53.060 55.278 -2.218 18832 5854 1 19 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.607 -2.097 18832 5855 1 19 . 1 1 66 66 HIS H H 66 9.159 9.159 8.876 0.283 18832 5856 1 19 . 1 1 67 67 LEU N N 67 127.580 127.580 127.613 -0.033 18832 5857 1 19 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.220 0.350 18832 5858 1 19 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.651 -0.351 18832 5859 1 19 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.435 0.625 18832 5860 1 19 . 1 1 67 67 LEU H H 67 8.992 8.992 8.485 0.507 18832 5861 1 19 . 1 1 68 68 LYS N N 68 121.900 121.900 123.639 -1.739 18832 5862 1 19 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.563 -0.073 18832 5863 1 19 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.137 -0.027 18832 5864 1 19 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.683 0.927 18832 5865 1 19 . 1 1 68 68 LYS H H 68 8.499 8.499 8.208 0.291 18832 5866 1 19 . 1 1 69 69 GLU N N 69 122.190 122.190 120.672 1.518 18832 5867 1 19 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.270 0.010 18832 5868 1 19 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.006 0.604 18832 5869 1 19 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.354 0.976 18832 5870 1 19 . 1 1 69 69 GLU H H 69 8.569 8.569 8.643 -0.074 18832 5871 1 19 . 1 1 70 70 ALA N N 70 123.370 123.370 129.530 -6.160 18832 5872 1 19 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.147 0.053 18832 5873 1 19 . 1 1 70 70 ALA CA C 70 51.810 51.810 53.091 -1.281 18832 5874 1 19 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.979 0.721 18832 5875 1 19 . 1 1 70 70 ALA H H 70 8.181 8.181 8.235 -0.054 18832 5876 1 19 . 1 1 71 71 ILE N N 71 120.080 120.080 122.057 -1.977 18832 5877 1 19 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.503 -0.433 18832 5878 1 19 . 1 1 71 71 ILE CA C 71 60.330 60.330 59.336 0.994 18832 5879 1 19 . 1 1 71 71 ILE CB C 71 38.690 38.690 40.106 -1.417 18832 5880 1 19 . 1 1 71 71 ILE H H 71 7.776 7.776 7.983 -0.207 18832 5881 1 19 . 1 1 72 72 VAL N N 72 124.540 124.540 124.104 0.436 18832 5882 1 19 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.218 -0.148 18832 5883 1 19 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.660 -1.020 18832 5884 1 19 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.473 0.217 18832 5885 1 19 . 1 1 72 72 VAL H H 72 8.089 8.089 8.131 -0.042 18832 5886 1 19 . 1 1 73 73 GLU N N 73 125.940 125.940 127.963 -2.023 18832 5887 1 19 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.579 -0.299 18832 5888 1 19 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.107 0.503 18832 5889 1 19 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.647 0.063 18832 5890 1 19 . 1 1 73 73 GLU H H 73 8.464 8.464 8.645 -0.181 18832 5891 1 20 . 1 1 2 2 THR N N 2 116.400 116.400 113.692 2.708 18832 5892 1 20 . 1 1 2 2 THR HA H 2 4.120 4.120 4.120 0.000 18832 5893 1 20 . 1 1 2 2 THR CA C 2 62.100 62.100 62.298 -0.198 18832 5894 1 20 . 1 1 2 2 THR CB C 2 69.440 69.440 68.922 0.518 18832 5895 1 20 . 1 1 2 2 THR H H 2 8.150 8.150 8.115 0.035 18832 5896 1 20 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.527 -0.217 18832 5897 1 20 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.254 0.496 18832 5898 1 20 . 1 1 3 3 ARG CB C 3 30.620 30.620 32.986 -2.366 18832 5899 1 20 . 1 1 4 4 TRP N N 4 123.300 123.300 124.311 -1.011 18832 5900 1 20 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.313 0.167 18832 5901 1 20 . 1 1 4 4 TRP CA C 4 57.560 57.560 57.470 0.090 18832 5902 1 20 . 1 1 4 4 TRP CB C 4 29.490 29.490 29.352 0.139 18832 5903 1 20 . 1 1 4 4 TRP H H 4 8.108 8.108 8.382 -0.274 18832 5904 1 20 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.180 0.390 18832 5905 1 20 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.125 -1.285 18832 5906 1 20 . 1 1 6 6 PRO HA H 6 4.810 4.810 5.069 -0.259 18832 5907 1 20 . 1 1 6 6 PRO CB C 6 32.210 32.210 30.886 1.324 18832 5908 1 20 . 1 1 7 7 THR HA H 7 4.270 4.270 3.827 0.443 18832 5909 1 20 . 1 1 7 7 THR CA C 7 60.890 60.890 63.001 -2.111 18832 5910 1 20 . 1 1 7 7 THR CB C 7 70.140 70.140 68.924 1.216 18832 5911 1 20 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.371 0.069 18832 5912 1 20 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.603 0.377 18832 5913 1 20 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.130 1.920 18832 5914 1 20 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.306 0.274 18832 5915 1 20 . 1 1 10 10 GLU CA C 10 55.570 55.570 55.548 0.022 18832 5916 1 20 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.931 -0.151 18832 5917 1 20 . 1 1 11 11 GLU N N 11 122.500 122.500 120.199 2.301 18832 5918 1 20 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.379 -0.039 18832 5919 1 20 . 1 1 11 11 GLU CA C 11 57.140 57.140 57.852 -0.713 18832 5920 1 20 . 1 1 11 11 GLU CB C 11 29.400 29.400 30.552 -1.153 18832 5921 1 20 . 1 1 11 11 GLU H H 11 8.271 8.271 8.706 -0.435 18832 5922 1 20 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.101 0.279 18832 5923 1 20 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.790 -1.000 18832 5924 1 20 . 1 1 12 12 LYS CB C 12 33.600 33.600 34.127 -0.527 18832 5925 1 20 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.759 0.801 18832 5926 1 20 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.962 -0.102 18832 5927 1 20 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.960 2.480 18832 5928 1 20 . 1 1 14 14 GLY N N 14 105.320 105.320 106.841 -1.521 18832 5929 1 20 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.849 1.391 18832 5930 1 20 . 1 1 14 14 GLY H H 14 8.401 8.401 8.821 -0.420 18832 5931 1 20 . 1 1 15 15 VAL N N 15 118.900 118.900 118.466 0.434 18832 5932 1 20 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.527 0.814 18832 5933 1 20 . 1 1 15 15 VAL CA C 15 59.210 59.210 61.071 -1.861 18832 5934 1 20 . 1 1 15 15 VAL CB C 15 35.740 35.740 34.457 1.283 18832 5935 1 20 . 1 1 15 15 VAL H H 15 8.851 8.851 8.827 0.024 18832 5936 1 20 . 1 1 16 16 ALA N N 16 129.460 129.460 126.050 3.410 18832 5937 1 20 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.823 0.177 18832 5938 1 20 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.304 1.696 18832 5939 1 20 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.704 -1.374 18832 5940 1 20 . 1 1 16 16 ALA H H 16 9.113 9.113 8.518 0.595 18832 5941 1 20 . 1 1 17 17 PHE N N 17 124.070 124.070 121.912 2.158 18832 5942 1 20 . 1 1 17 17 PHE HA H 17 4.801 4.801 5.081 -0.280 18832 5943 1 20 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.908 0.322 18832 5944 1 20 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.450 1.550 18832 5945 1 20 . 1 1 17 17 PHE H H 17 8.787 8.787 7.491 1.296 18832 5946 1 20 . 1 1 18 18 TYR N N 18 118.210 118.210 123.913 -5.703 18832 5947 1 20 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.469 0.014 18832 5948 1 20 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.850 -2.550 18832 5949 1 20 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.842 -0.032 18832 5950 1 20 . 1 1 18 18 TYR H H 18 7.281 7.281 7.622 -0.341 18832 5951 1 20 . 1 1 19 19 ASN N N 19 116.800 116.800 120.595 -3.795 18832 5952 1 20 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.813 -0.103 18832 5953 1 20 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.471 0.469 18832 5954 1 20 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.569 0.491 18832 5955 1 20 . 1 1 19 19 ASN H H 19 8.134 8.134 7.592 0.542 18832 5956 1 20 . 1 1 20 20 TYR N N 20 122.190 122.190 122.808 -0.618 18832 5957 1 20 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.601 0.086 18832 5958 1 20 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.728 -1.008 18832 5959 1 20 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.034 2.216 18832 5960 1 20 . 1 1 20 20 TYR H H 20 8.993 8.993 8.090 0.903 18832 5961 1 20 . 1 1 21 21 ASP N N 21 128.520 128.520 128.746 -0.226 18832 5962 1 20 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.889 -0.099 18832 5963 1 20 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.257 0.113 18832 5964 1 20 . 1 1 21 21 ASP CB C 21 41.130 41.130 41.982 -0.852 18832 5965 1 20 . 1 1 21 21 ASP H H 21 7.838 7.838 8.533 -0.695 18832 5966 1 20 . 1 1 22 22 ALA N N 22 125.240 125.240 125.745 -0.505 18832 5967 1 20 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.567 -0.516 18832 5968 1 20 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.348 -0.408 18832 5969 1 20 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.637 0.813 18832 5970 1 20 . 1 1 22 22 ALA H H 22 8.103 8.103 8.040 0.063 18832 5971 1 20 . 1 1 23 23 ARG N N 23 122.190 122.190 123.687 -1.497 18832 5972 1 20 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.521 -0.175 18832 5973 1 20 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.887 -0.397 18832 5974 1 20 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.462 0.238 18832 5975 1 20 . 1 1 23 23 ARG H H 23 8.887 8.887 8.605 0.282 18832 5976 1 20 . 1 1 24 24 GLY N N 24 105.320 105.320 105.939 -0.619 18832 5977 1 20 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.432 -0.932 18832 5978 1 20 . 1 1 24 24 GLY H H 24 7.258 7.258 7.480 -0.222 18832 5979 1 20 . 1 1 25 25 ALA N N 25 122.190 122.190 121.443 0.747 18832 5980 1 20 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.306 -0.140 18832 5981 1 20 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.720 0.720 18832 5982 1 20 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.354 -0.584 18832 5983 1 20 . 1 1 25 25 ALA H H 25 8.627 8.627 8.314 0.313 18832 5984 1 20 . 1 1 26 26 ASP N N 26 114.690 114.690 117.091 -2.401 18832 5985 1 20 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.424 0.276 18832 5986 1 20 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.043 -2.173 18832 5987 1 20 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.058 -0.668 18832 5988 1 20 . 1 1 26 26 ASP H H 26 8.955 8.955 8.520 0.435 18832 5989 1 20 . 1 1 27 27 GLU N N 27 118.910 118.910 116.171 2.739 18832 5990 1 20 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.449 0.753 18832 5991 1 20 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.832 -0.902 18832 5992 1 20 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.392 0.488 18832 5993 1 20 . 1 1 27 27 GLU H H 27 7.537 7.537 7.597 -0.060 18832 5994 1 20 . 1 1 28 28 LEU N N 28 121.490 121.490 121.311 0.179 18832 5995 1 20 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.768 -0.012 18832 5996 1 20 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.720 -0.600 18832 5997 1 20 . 1 1 28 28 LEU CB C 28 44.500 44.500 44.715 -0.215 18832 5998 1 20 . 1 1 28 28 LEU H H 28 8.890 8.890 8.403 0.487 18832 5999 1 20 . 1 1 29 29 SER N N 29 115.870 115.870 119.402 -3.532 18832 6000 1 20 . 1 1 29 29 SER HA H 29 5.009 5.009 4.709 0.300 18832 6001 1 20 . 1 1 29 29 SER CA C 29 58.470 58.470 59.530 -1.060 18832 6002 1 20 . 1 1 29 29 SER CB C 29 63.690 63.690 63.552 0.138 18832 6003 1 20 . 1 1 29 29 SER H H 29 7.948 7.948 8.527 -0.579 18832 6004 1 20 . 1 1 30 30 LEU N N 30 121.260 121.260 126.066 -4.806 18832 6005 1 20 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.754 0.022 18832 6006 1 20 . 1 1 30 30 LEU CA C 30 52.940 52.940 53.757 -0.817 18832 6007 1 20 . 1 1 30 30 LEU CB C 30 46.370 46.370 44.863 1.507 18832 6008 1 20 . 1 1 30 30 LEU H H 30 9.500 9.500 8.439 1.061 18832 6009 1 20 . 1 1 31 31 GLN N N 31 123.130 123.130 120.322 2.808 18832 6010 1 20 . 1 1 31 31 GLN HA H 31 5.065 5.065 4.971 0.094 18832 6011 1 20 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.926 -0.986 18832 6012 1 20 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.930 -1.740 18832 6013 1 20 . 1 1 31 31 GLN H H 31 9.147 9.147 8.453 0.694 18832 6014 1 20 . 1 1 32 32 ILE N N 32 120.790 120.790 121.093 -0.303 18832 6015 1 20 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.037 -1.005 18832 6016 1 20 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.590 0.660 18832 6017 1 20 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.830 0.110 18832 6018 1 20 . 1 1 32 32 ILE H H 32 8.016 8.016 8.472 -0.456 18832 6019 1 20 . 1 1 33 33 GLY N N 33 115.870 115.870 114.757 1.113 18832 6020 1 20 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.880 -0.380 18832 6021 1 20 . 1 1 33 33 GLY H H 33 8.775 8.775 8.999 -0.224 18832 6022 1 20 . 1 1 34 34 ASP N N 34 122.430 122.430 123.151 -0.721 18832 6023 1 20 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.874 -0.240 18832 6024 1 20 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.235 1.625 18832 6025 1 20 . 1 1 34 34 ASP CB C 34 41.310 41.310 41.904 -0.594 18832 6026 1 20 . 1 1 34 34 ASP H H 34 8.686 8.686 7.809 0.877 18832 6027 1 20 . 1 1 35 35 THR N N 35 117.980 117.980 119.510 -1.530 18832 6028 1 20 . 1 1 35 35 THR HA H 35 5.154 5.154 4.706 0.448 18832 6029 1 20 . 1 1 35 35 THR CA C 35 61.450 61.450 62.086 -0.636 18832 6030 1 20 . 1 1 35 35 THR CB C 35 69.090 69.090 69.266 -0.176 18832 6031 1 20 . 1 1 35 35 THR H H 35 8.392 8.392 8.605 -0.213 18832 6032 1 20 . 1 1 36 36 VAL N N 36 118.200 118.200 121.361 -3.161 18832 6033 1 20 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.593 0.559 18832 6034 1 20 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.432 -1.522 18832 6035 1 20 . 1 1 36 36 VAL CB C 36 34.190 34.190 33.788 0.402 18832 6036 1 20 . 1 1 36 36 VAL H H 36 9.016 9.016 9.014 0.002 18832 6037 1 20 . 1 1 37 37 HIS N N 37 122.190 122.190 125.774 -3.584 18832 6038 1 20 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.899 -0.088 18832 6039 1 20 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.403 -0.843 18832 6040 1 20 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.571 0.689 18832 6041 1 20 . 1 1 37 37 HIS H H 37 8.491 8.491 8.766 -0.275 18832 6042 1 20 . 1 1 38 38 ILE N N 38 126.650 126.650 127.567 -0.917 18832 6043 1 20 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.156 -0.406 18832 6044 1 20 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.677 -1.037 18832 6045 1 20 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.908 0.972 18832 6046 1 20 . 1 1 38 38 ILE H H 38 8.638 8.638 8.711 -0.073 18832 6047 1 20 . 1 1 39 39 LEU N N 39 126.180 126.180 124.050 2.130 18832 6048 1 20 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.909 -0.529 18832 6049 1 20 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.899 0.591 18832 6050 1 20 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.474 0.276 18832 6051 1 20 . 1 1 39 39 LEU H H 39 9.163 9.163 8.889 0.274 18832 6052 1 20 . 1 1 40 40 GLU N N 40 115.160 115.160 117.789 -2.629 18832 6053 1 20 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.983 0.037 18832 6054 1 20 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.289 -0.200 18832 6055 1 20 . 1 1 40 40 GLU CB C 40 35.730 35.730 34.027 1.703 18832 6056 1 20 . 1 1 40 40 GLU H H 40 7.852 7.852 7.737 0.115 18832 6057 1 20 . 1 1 41 41 THR HA H 41 4.270 4.270 4.531 -0.261 18832 6058 1 20 . 1 1 41 41 THR CA C 41 61.250 61.250 59.642 1.608 18832 6059 1 20 . 1 1 41 41 THR CB C 41 71.410 71.410 70.171 1.239 18832 6060 1 20 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.403 0.147 18832 6061 1 20 . 1 1 43 43 GLU N N 43 124.100 124.100 119.628 4.472 18832 6062 1 20 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.571 -0.831 18832 6063 1 20 . 1 1 43 43 GLU H H 43 8.590 8.590 8.347 0.243 18832 6064 1 20 . 1 1 44 44 GLY N N 44 110.789 110.789 110.055 0.734 18832 6065 1 20 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.424 0.016 18832 6066 1 20 . 1 1 44 44 GLY H H 44 8.432 8.432 8.709 -0.277 18832 6067 1 20 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.722 -0.032 18832 6068 1 20 . 1 1 45 45 TRP CA C 45 57.550 57.550 55.958 1.592 18832 6069 1 20 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.778 0.822 18832 6070 1 20 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.493 -0.433 18832 6071 1 20 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.713 0.937 18832 6072 1 20 . 1 1 47 47 ARG N N 47 118.100 118.100 121.020 -2.920 18832 6073 1 20 . 1 1 47 47 ARG HA H 47 5.094 5.094 5.056 0.038 18832 6074 1 20 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.102 -0.042 18832 6075 1 20 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.322 -1.072 18832 6076 1 20 . 1 1 47 47 ARG H H 47 8.492 8.492 8.327 0.165 18832 6077 1 20 . 1 1 48 48 GLY N N 48 114.000 114.000 111.791 2.209 18832 6078 1 20 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.943 0.617 18832 6079 1 20 . 1 1 48 48 GLY H H 48 9.183 9.183 8.848 0.335 18832 6080 1 20 . 1 1 49 49 TYR N N 49 116.100 116.100 115.195 0.905 18832 6081 1 20 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.301 0.072 18832 6082 1 20 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.806 -0.696 18832 6083 1 20 . 1 1 49 49 TYR CB C 49 40.750 40.750 41.227 -0.477 18832 6084 1 20 . 1 1 49 49 TYR H H 49 8.194 8.194 8.111 0.083 18832 6085 1 20 . 1 1 50 50 THR N N 50 112.350 112.350 114.792 -2.442 18832 6086 1 20 . 1 1 50 50 THR HA H 50 5.105 5.105 4.752 0.353 18832 6087 1 20 . 1 1 50 50 THR CA C 50 59.770 59.770 60.845 -1.075 18832 6088 1 20 . 1 1 50 50 THR CB C 50 69.460 69.460 70.242 -0.782 18832 6089 1 20 . 1 1 50 50 THR H H 50 9.441 9.441 8.863 0.578 18832 6090 1 20 . 1 1 51 51 LEU N N 51 121.260 121.260 121.446 -0.186 18832 6091 1 20 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.113 0.123 18832 6092 1 20 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.485 0.305 18832 6093 1 20 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.265 -1.265 18832 6094 1 20 . 1 1 51 51 LEU H H 51 8.310 8.310 8.334 -0.024 18832 6095 1 20 . 1 1 52 52 ARG N N 52 116.570 116.570 117.461 -0.891 18832 6096 1 20 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.155 0.095 18832 6097 1 20 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.420 -1.070 18832 6098 1 20 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.611 -0.101 18832 6099 1 20 . 1 1 52 52 ARG H H 52 8.047 8.047 8.269 -0.222 18832 6100 1 20 . 1 1 53 53 LYS N N 53 122.660 122.660 119.691 2.969 18832 6101 1 20 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.623 -0.007 18832 6102 1 20 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.447 -0.827 18832 6103 1 20 . 1 1 53 53 LYS CB C 53 32.860 32.860 32.293 0.567 18832 6104 1 20 . 1 1 53 53 LYS H H 53 7.649 7.649 7.650 -0.001 18832 6105 1 20 . 1 1 54 54 LYS N N 54 125.010 125.010 124.009 1.001 18832 6106 1 20 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.148 -0.058 18832 6107 1 20 . 1 1 54 54 LYS CA C 54 58.470 58.470 59.472 -1.002 18832 6108 1 20 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.640 -0.510 18832 6109 1 20 . 1 1 54 54 LYS H H 54 8.496 8.496 8.600 -0.104 18832 6110 1 20 . 1 1 55 55 SER N N 55 110.240 110.240 114.068 -3.828 18832 6111 1 20 . 1 1 55 55 SER HA H 55 4.122 4.122 4.186 -0.064 18832 6112 1 20 . 1 1 55 55 SER CA C 55 58.960 58.960 60.099 -1.139 18832 6113 1 20 . 1 1 55 55 SER CB C 55 63.310 63.310 62.887 0.423 18832 6114 1 20 . 1 1 55 55 SER H H 55 7.857 7.857 8.336 -0.479 18832 6115 1 20 . 1 1 56 56 LYS N N 56 124.070 124.070 122.297 1.773 18832 6116 1 20 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.347 0.321 18832 6117 1 20 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.991 -1.181 18832 6118 1 20 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.041 0.209 18832 6119 1 20 . 1 1 56 56 LYS H H 56 7.473 7.473 7.852 -0.379 18832 6120 1 20 . 1 1 57 57 LYS N N 57 125.940 125.940 123.609 2.331 18832 6121 1 20 . 1 1 57 57 LYS HA H 57 5.341 5.341 5.083 0.258 18832 6122 1 20 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.663 -0.043 18832 6123 1 20 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.305 -2.065 18832 6124 1 20 . 1 1 57 57 LYS H H 57 8.474 8.474 8.279 0.195 18832 6125 1 20 . 1 1 58 58 GLY N N 58 109.540 109.540 108.586 0.954 18832 6126 1 20 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.190 0.430 18832 6127 1 20 . 1 1 58 58 GLY H H 58 9.075 9.075 8.504 0.571 18832 6128 1 20 . 1 1 59 59 ILE N N 59 113.900 113.900 115.522 -1.622 18832 6129 1 20 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.069 0.931 18832 6130 1 20 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.457 1.133 18832 6131 1 20 . 1 1 59 59 ILE CB C 59 41.140 41.140 40.637 0.503 18832 6132 1 20 . 1 1 59 59 ILE H H 59 8.628 8.628 8.088 0.540 18832 6133 1 20 . 1 1 60 60 PHE N N 60 117.040 117.040 117.386 -0.346 18832 6134 1 20 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.344 -0.224 18832 6135 1 20 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.620 -0.560 18832 6136 1 20 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.164 -1.974 18832 6137 1 20 . 1 1 60 60 PHE H H 60 8.724 8.724 8.590 0.134 18832 6138 1 20 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.469 -0.989 18832 6139 1 20 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.725 -0.525 18832 6140 1 20 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.395 -1.205 18832 6141 1 20 . 1 1 62 62 ALA N N 62 124.770 124.770 127.135 -2.365 18832 6142 1 20 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.030 -0.320 18832 6143 1 20 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.658 -0.288 18832 6144 1 20 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.385 -0.735 18832 6145 1 20 . 1 1 62 62 ALA H H 62 7.898 7.898 8.192 -0.294 18832 6146 1 20 . 1 1 63 63 SER N N 63 109.700 109.700 112.134 -2.434 18832 6147 1 20 . 1 1 63 63 SER HA H 63 4.200 4.200 4.105 0.095 18832 6148 1 20 . 1 1 63 63 SER CA C 63 59.400 59.400 60.183 -0.783 18832 6149 1 20 . 1 1 63 63 SER CB C 63 62.380 62.380 62.621 -0.241 18832 6150 1 20 . 1 1 63 63 SER H H 63 8.030 8.030 8.226 -0.196 18832 6151 1 20 . 1 1 64 64 TYR N N 64 120.300 120.300 119.651 0.649 18832 6152 1 20 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.320 -0.070 18832 6153 1 20 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.733 0.987 18832 6154 1 20 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.396 0.164 18832 6155 1 20 . 1 1 64 64 TYR H H 64 7.128 7.128 6.970 0.158 18832 6156 1 20 . 1 1 65 65 ILE N N 65 118.000 118.000 117.918 0.082 18832 6157 1 20 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.527 0.283 18832 6158 1 20 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.016 -2.036 18832 6159 1 20 . 1 1 65 65 ILE CB C 65 39.630 39.630 42.417 -2.788 18832 6160 1 20 . 1 1 65 65 ILE H H 65 7.671 7.671 7.448 0.223 18832 6161 1 20 . 1 1 66 66 HIS N N 66 124.300 124.300 122.767 1.533 18832 6162 1 20 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.873 0.257 18832 6163 1 20 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.985 -1.925 18832 6164 1 20 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.105 -2.595 18832 6165 1 20 . 1 1 66 66 HIS H H 66 9.159 9.159 8.863 0.296 18832 6166 1 20 . 1 1 67 67 LEU N N 67 127.580 127.580 127.362 0.218 18832 6167 1 20 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.265 0.305 18832 6168 1 20 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.767 -0.467 18832 6169 1 20 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.115 0.945 18832 6170 1 20 . 1 1 67 67 LEU H H 67 8.992 8.992 8.527 0.465 18832 6171 1 20 . 1 1 68 68 LYS N N 68 121.900 121.900 125.653 -3.753 18832 6172 1 20 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.666 -0.176 18832 6173 1 20 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.925 0.185 18832 6174 1 20 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.145 0.465 18832 6175 1 20 . 1 1 68 68 LYS H H 68 8.499 8.499 7.979 0.520 18832 6176 1 20 . 1 1 69 69 GLU N N 69 122.190 122.190 119.078 3.112 18832 6177 1 20 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.245 0.035 18832 6178 1 20 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.031 -0.421 18832 6179 1 20 . 1 1 69 69 GLU CB C 69 30.330 30.330 30.223 0.107 18832 6180 1 20 . 1 1 69 69 GLU H H 69 8.569 8.569 8.759 -0.190 18832 6181 1 20 . 1 1 70 70 ALA N N 70 123.370 123.370 121.466 1.904 18832 6182 1 20 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.068 0.132 18832 6183 1 20 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.409 -0.599 18832 6184 1 20 . 1 1 70 70 ALA CB C 70 19.700 19.700 17.984 1.716 18832 6185 1 20 . 1 1 70 70 ALA H H 70 8.181 8.181 8.014 0.167 18832 6186 1 20 . 1 1 71 71 ILE N N 71 120.080 120.080 118.279 1.801 18832 6187 1 20 . 1 1 71 71 ILE HA H 71 4.070 4.070 3.801 0.269 18832 6188 1 20 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.780 -1.450 18832 6189 1 20 . 1 1 71 71 ILE CB C 71 38.690 38.690 37.797 0.893 18832 6190 1 20 . 1 1 71 71 ILE H H 71 7.776 7.776 8.410 -0.634 18832 6191 1 20 . 1 1 72 72 VAL N N 72 124.540 124.540 126.766 -2.226 18832 6192 1 20 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.291 -0.221 18832 6193 1 20 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.492 0.148 18832 6194 1 20 . 1 1 72 72 VAL CB C 72 32.690 32.690 31.643 1.047 18832 6195 1 20 . 1 1 72 72 VAL H H 72 8.089 8.089 8.203 -0.114 18832 6196 1 20 . 1 1 73 73 GLU N N 73 125.940 125.940 123.768 2.172 18832 6197 1 20 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.013 0.267 18832 6198 1 20 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.218 0.392 18832 6199 1 20 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.035 0.675 18832 6200 1 20 . 1 1 73 73 GLU H H 73 8.464 8.464 8.719 -0.255 18832 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 58 2.790 -0.112 2.812 18832 2 1 1 "Average Difference" HA 77 0.424 -0.002 0.427 18832 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18832 4 1 1 "Average Difference" CA 67 1.082 0.233 1.065 18832 5 1 1 "Average Difference" CB 62 1.106 0.077 1.112 18832 6 1 1 "Average Difference" HN 58 0.461 -0.102 0.453 18832 7 1 2 "Average Difference" N 58 2.831 0.203 2.848 18832 8 1 2 "Average Difference" HA 77 0.432 0.025 0.434 18832 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18832 10 1 2 "Average Difference" CA 67 1.161 0.212 1.150 18832 11 1 2 "Average Difference" CB 62 1.322 0.052 1.332 18832 12 1 2 "Average Difference" HN 58 0.460 -0.097 0.454 18832 13 1 3 "Average Difference" N 58 2.794 0.039 2.818 18832 14 1 3 "Average Difference" HA 77 0.419 -0.001 0.422 18832 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18832 16 1 3 "Average Difference" CA 67 1.113 0.212 1.100 18832 17 1 3 "Average Difference" CB 62 1.118 0.085 1.124 18832 18 1 3 "Average Difference" HN 58 0.395 -0.094 0.387 18832 19 1 4 "Average Difference" N 58 2.878 -0.167 2.898 18832 20 1 4 "Average Difference" HA 77 0.437 -0.038 0.438 18832 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18832 22 1 4 "Average Difference" CA 67 1.219 0.326 1.183 18832 23 1 4 "Average Difference" CB 62 1.240 0.042 1.249 18832 24 1 4 "Average Difference" HN 58 0.451 -0.127 0.436 18832 25 1 5 "Average Difference" N 58 2.413 -0.130 2.430 18832 26 1 5 "Average Difference" HA 77 0.423 0.019 0.425 18832 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18832 28 1 5 "Average Difference" CA 67 1.119 0.282 1.091 18832 29 1 5 "Average Difference" CB 62 1.342 -0.002 1.353 18832 30 1 5 "Average Difference" HN 58 0.487 -0.083 0.485 18832 31 1 6 "Average Difference" N 58 2.845 -0.160 2.865 18832 32 1 6 "Average Difference" HA 77 0.418 -0.015 0.420 18832 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18832 34 1 6 "Average Difference" CA 67 1.105 0.168 1.100 18832 35 1 6 "Average Difference" CB 62 1.235 -0.021 1.245 18832 36 1 6 "Average Difference" HN 58 0.475 -0.064 0.475 18832 37 1 7 "Average Difference" N 58 2.608 -0.239 2.620 18832 38 1 7 "Average Difference" HA 77 0.428 0.003 0.431 18832 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18832 40 1 7 "Average Difference" CA 67 1.072 0.279 1.043 18832 41 1 7 "Average Difference" CB 62 1.196 0.130 1.199 18832 42 1 7 "Average Difference" HN 58 0.463 -0.140 0.445 18832 43 1 8 "Average Difference" N 58 2.833 0.158 2.853 18832 44 1 8 "Average Difference" HA 77 0.423 -0.023 0.425 18832 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18832 46 1 8 "Average Difference" CA 67 1.141 0.263 1.118 18832 47 1 8 "Average Difference" CB 62 1.266 0.018 1.276 18832 48 1 8 "Average Difference" HN 58 0.428 -0.064 0.427 18832 49 1 9 "Average Difference" N 58 2.569 0.037 2.591 18832 50 1 9 "Average Difference" HA 77 0.395 -0.030 0.396 18832 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18832 52 1 9 "Average Difference" CA 67 1.097 0.330 1.054 18832 53 1 9 "Average Difference" CB 62 1.347 -0.051 1.357 18832 54 1 9 "Average Difference" HN 58 0.452 -0.079 0.449 18832 55 1 10 "Average Difference" N 58 2.871 0.271 2.883 18832 56 1 10 "Average Difference" HA 77 0.423 0.004 0.425 18832 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18832 58 1 10 "Average Difference" CA 67 1.154 0.313 1.119 18832 59 1 10 "Average Difference" CB 62 1.213 -0.005 1.222 18832 60 1 10 "Average Difference" HN 58 0.441 -0.090 0.436 18832 61 1 11 "Average Difference" N 58 2.633 0.079 2.654 18832 62 1 11 "Average Difference" HA 77 0.414 -0.014 0.417 18832 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18832 64 1 11 "Average Difference" CA 67 1.107 0.302 1.073 18832 65 1 11 "Average Difference" CB 62 1.156 0.130 1.158 18832 66 1 11 "Average Difference" HN 58 0.446 -0.072 0.444 18832 67 1 12 "Average Difference" N 58 2.940 0.511 2.921 18832 68 1 12 "Average Difference" HA 77 0.422 -0.035 0.423 18832 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18832 70 1 12 "Average Difference" CA 67 1.066 0.185 1.057 18832 71 1 12 "Average Difference" CB 62 1.277 -0.070 1.285 18832 72 1 12 "Average Difference" HN 58 0.460 -0.078 0.457 18832 73 1 13 "Average Difference" N 58 3.125 -0.127 3.150 18832 74 1 13 "Average Difference" HA 77 0.412 -0.032 0.414 18832 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18832 76 1 13 "Average Difference" CA 67 1.199 0.259 1.179 18832 77 1 13 "Average Difference" CB 62 1.213 0.121 1.216 18832 78 1 13 "Average Difference" HN 58 0.421 -0.085 0.416 18832 79 1 14 "Average Difference" N 58 2.653 -0.112 2.674 18832 80 1 14 "Average Difference" HA 77 0.430 0.008 0.433 18832 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18832 82 1 14 "Average Difference" CA 67 1.061 0.170 1.055 18832 83 1 14 "Average Difference" CB 62 1.208 0.028 1.218 18832 84 1 14 "Average Difference" HN 58 0.458 -0.072 0.456 18832 85 1 15 "Average Difference" N 58 2.716 0.151 2.735 18832 86 1 15 "Average Difference" HA 77 0.403 -0.010 0.406 18832 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18832 88 1 15 "Average Difference" CA 67 1.088 0.259 1.064 18832 89 1 15 "Average Difference" CB 62 1.109 -0.038 1.118 18832 90 1 15 "Average Difference" HN 58 0.469 -0.092 0.464 18832 91 1 16 "Average Difference" N 58 3.064 -0.319 3.074 18832 92 1 16 "Average Difference" HA 77 0.418 0.002 0.421 18832 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18832 94 1 16 "Average Difference" CA 67 1.203 0.343 1.162 18832 95 1 16 "Average Difference" CB 62 1.186 0.063 1.194 18832 96 1 16 "Average Difference" HN 58 0.441 -0.094 0.435 18832 97 1 17 "Average Difference" N 58 2.809 -0.266 2.821 18832 98 1 17 "Average Difference" HA 77 0.444 -0.023 0.446 18832 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18832 100 1 17 "Average Difference" CA 67 1.145 0.213 1.134 18832 101 1 17 "Average Difference" CB 62 1.206 0.010 1.216 18832 102 1 17 "Average Difference" HN 58 0.436 -0.128 0.420 18832 103 1 18 "Average Difference" N 58 2.611 0.261 2.620 18832 104 1 18 "Average Difference" HA 77 0.452 -0.025 0.454 18832 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18832 106 1 18 "Average Difference" CA 67 1.084 0.290 1.052 18832 107 1 18 "Average Difference" CB 62 1.140 -0.078 1.146 18832 108 1 18 "Average Difference" HN 58 0.479 -0.071 0.478 18832 109 1 19 "Average Difference" N 58 2.869 0.306 2.877 18832 110 1 19 "Average Difference" HA 77 0.413 -0.033 0.414 18832 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18832 112 1 19 "Average Difference" CA 67 1.282 0.281 1.260 18832 113 1 19 "Average Difference" CB 62 1.252 0.031 1.262 18832 114 1 19 "Average Difference" HN 58 0.392 -0.083 0.387 18832 115 1 20 "Average Difference" N 58 2.320 0.216 2.330 18832 116 1 20 "Average Difference" HA 77 0.407 -0.034 0.408 18832 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18832 118 1 20 "Average Difference" CA 67 1.012 0.343 0.959 18832 119 1 20 "Average Difference" CB 62 1.166 -0.046 1.175 18832 120 1 20 "Average Difference" HN 58 0.437 -0.090 0.431 18832 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 18832 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR N N 2 116.400 116.400 115.433 0.967 18832 2 1 . 1 1 2 2 THR HA H 2 4.120 4.120 4.495 -0.375 18832 3 1 . 1 1 2 2 THR CA C 2 62.100 62.100 62.145 -0.045 18832 4 1 . 1 1 2 2 THR CB C 2 69.440 69.440 69.445 -0.005 18832 5 1 . 1 1 2 2 THR H H 2 8.150 8.150 8.233 -0.083 18832 6 1 . 1 1 3 3 ARG HA H 3 4.310 4.310 4.498 -0.188 18832 7 1 . 1 1 3 3 ARG CA C 3 55.750 55.750 55.998 -0.248 18832 8 1 . 1 1 3 3 ARG CB C 3 30.620 30.620 30.812 -0.192 18832 9 1 . 1 1 4 4 TRP N N 4 123.300 123.300 122.472 0.828 18832 10 1 . 1 1 4 4 TRP HA H 4 4.480 4.480 4.671 -0.191 18832 11 1 . 1 1 4 4 TRP CA C 4 57.560 57.560 56.872 0.688 18832 12 1 . 1 1 4 4 TRP CB C 4 29.490 29.490 30.257 -0.767 18832 13 1 . 1 1 4 4 TRP H H 4 8.108 8.108 8.233 -0.125 18832 14 1 . 1 1 5 5 VAL HA H 5 4.570 4.570 4.340 0.230 18832 15 1 . 1 1 5 5 VAL CB C 5 30.840 30.840 32.775 -1.935 18832 16 1 . 1 1 6 6 PRO HA H 6 4.810 4.810 4.702 0.108 18832 17 1 . 1 1 6 6 PRO CB C 6 32.210 32.210 31.844 0.366 18832 18 1 . 1 1 7 7 THR HA H 7 4.270 4.270 4.005 0.265 18832 19 1 . 1 1 7 7 THR CA C 7 60.890 60.890 62.554 -1.664 18832 20 1 . 1 1 7 7 THR CB C 7 70.140 70.140 68.694 1.446 18832 21 1 . 1 1 8 8 LYS HA H 8 4.440 4.440 4.338 0.102 18832 22 1 . 1 1 8 8 LYS CA C 8 55.980 55.980 55.901 0.079 18832 23 1 . 1 1 8 8 LYS CB C 8 35.050 35.050 33.082 1.968 18832 24 1 . 1 1 10 10 GLU HA H 10 4.580 4.580 4.299 0.281 18832 25 1 . 1 1 10 10 GLU CA C 10 55.570 55.570 56.215 -0.645 18832 26 1 . 1 1 10 10 GLU CB C 10 30.780 30.780 30.677 0.103 18832 27 1 . 1 1 11 11 GLU N N 11 122.500 122.500 120.572 1.928 18832 28 1 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.231 0.109 18832 29 1 . 1 1 11 11 GLU CA C 11 57.140 57.140 57.456 -0.316 18832 30 1 . 1 1 11 11 GLU CB C 11 29.400 29.400 29.845 -0.446 18832 31 1 . 1 1 11 11 GLU H H 11 8.271 8.271 8.615 -0.344 18832 32 1 . 1 1 12 12 LYS HA H 12 4.380 4.380 4.172 0.208 18832 33 1 . 1 1 12 12 LYS CA C 12 55.790 55.790 56.467 -0.677 18832 34 1 . 1 1 12 12 LYS CB C 12 33.600 33.600 34.194 -0.594 18832 35 1 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.734 0.826 18832 36 1 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.674 0.186 18832 37 1 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.132 2.308 18832 38 1 . 1 1 14 14 GLY N N 14 105.320 105.320 106.431 -1.111 18832 39 1 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.312 0.928 18832 40 1 . 1 1 14 14 GLY H H 14 8.401 8.401 8.781 -0.380 18832 41 1 . 1 1 15 15 VAL N N 15 118.900 118.900 118.838 0.062 18832 42 1 . 1 1 15 15 VAL HA H 15 5.341 5.341 4.625 0.716 18832 43 1 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.699 -1.489 18832 44 1 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.476 0.264 18832 45 1 . 1 1 15 15 VAL H H 15 8.851 8.851 8.767 0.084 18832 46 1 . 1 1 16 16 ALA N N 16 129.460 129.460 126.535 2.925 18832 47 1 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.203 -0.203 18832 48 1 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.106 1.894 18832 49 1 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.084 -1.754 18832 50 1 . 1 1 16 16 ALA H H 16 9.113 9.113 8.544 0.569 18832 51 1 . 1 1 17 17 PHE N N 17 124.070 124.070 121.237 2.833 18832 52 1 . 1 1 17 17 PHE HA H 17 4.801 4.801 4.981 -0.180 18832 53 1 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.966 0.264 18832 54 1 . 1 1 17 17 PHE CB C 17 40.000 40.000 38.595 1.405 18832 55 1 . 1 1 17 17 PHE H H 17 8.787 8.787 7.771 1.016 18832 56 1 . 1 1 18 18 TYR N N 18 118.210 118.210 123.324 -5.114 18832 57 1 . 1 1 18 18 TYR HA H 18 4.483 4.483 4.379 0.104 18832 58 1 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.470 -2.170 18832 59 1 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.275 0.535 18832 60 1 . 1 1 18 18 TYR H H 18 7.281 7.281 7.656 -0.375 18832 61 1 . 1 1 19 19 ASN N N 19 116.800 116.800 119.511 -2.711 18832 62 1 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.826 -0.116 18832 63 1 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.716 0.224 18832 64 1 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.540 0.520 18832 65 1 . 1 1 19 19 ASN H H 19 8.134 8.134 8.124 0.010 18832 66 1 . 1 1 20 20 TYR N N 20 122.190 122.190 122.565 -0.375 18832 67 1 . 1 1 20 20 TYR HA H 20 4.687 4.687 4.580 0.107 18832 68 1 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.176 -0.456 18832 69 1 . 1 1 20 20 TYR CB C 20 42.250 42.250 40.258 1.992 18832 70 1 . 1 1 20 20 TYR H H 20 8.993 8.993 8.017 0.976 18832 71 1 . 1 1 21 21 ASP N N 21 128.520 128.520 126.662 1.858 18832 72 1 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.769 0.021 18832 73 1 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.501 -0.131 18832 74 1 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.899 -1.769 18832 75 1 . 1 1 21 21 ASP H H 21 7.838 7.838 8.253 -0.416 18832 76 1 . 1 1 22 22 ALA N N 22 125.240 125.240 125.380 -0.140 18832 77 1 . 1 1 22 22 ALA HA H 22 4.051 4.051 4.339 -0.288 18832 78 1 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.727 0.212 18832 79 1 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.762 0.688 18832 80 1 . 1 1 22 22 ALA H H 22 8.103 8.103 8.421 -0.318 18832 81 1 . 1 1 23 23 ARG N N 23 122.190 122.190 122.234 -0.044 18832 82 1 . 1 1 23 23 ARG HA H 23 4.346 4.346 4.433 -0.087 18832 83 1 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.122 -0.632 18832 84 1 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.726 -0.026 18832 85 1 . 1 1 23 23 ARG H H 23 8.887 8.887 8.730 0.157 18832 86 1 . 1 1 24 24 GLY N N 24 105.320 105.320 106.114 -0.794 18832 87 1 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.021 -0.521 18832 88 1 . 1 1 24 24 GLY H H 24 7.258 7.258 7.504 -0.245 18832 89 1 . 1 1 25 25 ALA N N 25 122.190 122.190 121.566 0.624 18832 90 1 . 1 1 25 25 ALA HA H 25 4.166 4.166 4.258 -0.092 18832 91 1 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.885 0.554 18832 92 1 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.240 -0.470 18832 93 1 . 1 1 25 25 ALA H H 25 8.627 8.627 8.373 0.254 18832 94 1 . 1 1 26 26 ASP N N 26 114.690 114.690 116.630 -1.940 18832 95 1 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.432 0.268 18832 96 1 . 1 1 26 26 ASP CA C 26 53.870 53.870 56.107 -2.237 18832 97 1 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.055 -0.665 18832 98 1 . 1 1 26 26 ASP H H 26 8.955 8.955 8.591 0.364 18832 99 1 . 1 1 27 27 GLU N N 27 118.910 118.910 116.422 2.488 18832 100 1 . 1 1 27 27 GLU HA H 27 5.202 5.202 4.616 0.586 18832 101 1 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.472 -0.542 18832 102 1 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.600 0.281 18832 103 1 . 1 1 27 27 GLU H H 27 7.537 7.537 7.556 -0.019 18832 104 1 . 1 1 28 28 LEU N N 28 121.490 121.490 120.983 0.507 18832 105 1 . 1 1 28 28 LEU HA H 28 4.756 4.756 4.708 0.048 18832 106 1 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.869 -0.749 18832 107 1 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.131 -0.631 18832 108 1 . 1 1 28 28 LEU H H 28 8.890 8.890 8.496 0.394 18832 109 1 . 1 1 29 29 SER N N 29 115.870 115.870 119.240 -3.370 18832 110 1 . 1 1 29 29 SER HA H 29 5.009 5.009 4.568 0.441 18832 111 1 . 1 1 29 29 SER CA C 29 58.470 58.470 58.743 -0.273 18832 112 1 . 1 1 29 29 SER CB C 29 63.690 63.690 63.687 0.003 18832 113 1 . 1 1 29 29 SER H H 29 7.948 7.948 8.443 -0.495 18832 114 1 . 1 1 30 30 LEU N N 30 121.260 121.260 126.456 -5.196 18832 115 1 . 1 1 30 30 LEU HA H 30 4.776 4.776 4.737 0.039 18832 116 1 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.081 -1.141 18832 117 1 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.121 1.249 18832 118 1 . 1 1 30 30 LEU H H 30 9.500 9.500 8.251 1.249 18832 119 1 . 1 1 31 31 GLN N N 31 123.130 123.130 119.816 3.314 18832 120 1 . 1 1 31 31 GLN HA H 31 5.065 5.065 5.125 -0.060 18832 121 1 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.722 -0.782 18832 122 1 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.879 -1.689 18832 123 1 . 1 1 31 31 GLN H H 31 9.147 9.147 8.451 0.696 18832 124 1 . 1 1 32 32 ILE N N 32 120.790 120.790 120.822 -0.032 18832 125 1 . 1 1 32 32 ILE HA H 32 3.032 3.032 4.100 -1.068 18832 126 1 . 1 1 32 32 ILE CA C 32 64.250 64.250 63.238 1.012 18832 127 1 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.838 0.102 18832 128 1 . 1 1 32 32 ILE H H 32 8.016 8.016 8.397 -0.381 18832 129 1 . 1 1 33 33 GLY N N 33 115.870 115.870 115.210 0.660 18832 130 1 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.792 -0.292 18832 131 1 . 1 1 33 33 GLY H H 33 8.775 8.775 8.969 -0.194 18832 132 1 . 1 1 34 34 ASP N N 34 122.430 122.430 122.270 0.160 18832 133 1 . 1 1 34 34 ASP HA H 34 4.634 4.634 4.942 -0.308 18832 134 1 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.953 1.907 18832 135 1 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.269 -0.959 18832 136 1 . 1 1 34 34 ASP H H 34 8.686 8.686 7.794 0.892 18832 137 1 . 1 1 35 35 THR N N 35 117.980 117.980 117.417 0.564 18832 138 1 . 1 1 35 35 THR HA H 35 5.154 5.154 4.905 0.249 18832 139 1 . 1 1 35 35 THR CA C 35 61.450 61.450 61.962 -0.512 18832 140 1 . 1 1 35 35 THR CB C 35 69.090 69.090 69.962 -0.872 18832 141 1 . 1 1 35 35 THR H H 35 8.392 8.392 8.486 -0.094 18832 142 1 . 1 1 36 36 VAL N N 36 118.200 118.200 118.000 0.200 18832 143 1 . 1 1 36 36 VAL HA H 36 5.152 5.152 4.611 0.541 18832 144 1 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.023 -2.113 18832 145 1 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.761 -0.571 18832 146 1 . 1 1 36 36 VAL H H 36 9.016 9.016 8.883 0.133 18832 147 1 . 1 1 37 37 HIS N N 37 122.190 122.190 125.837 -3.647 18832 148 1 . 1 1 37 37 HIS HA H 37 4.811 4.811 4.932 -0.121 18832 149 1 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.818 -1.258 18832 150 1 . 1 1 37 37 HIS CB C 37 31.260 31.260 30.529 0.731 18832 151 1 . 1 1 37 37 HIS H H 37 8.491 8.491 8.541 -0.050 18832 152 1 . 1 1 38 38 ILE N N 38 126.650 126.650 127.230 -0.580 18832 153 1 . 1 1 38 38 ILE HA H 38 3.750 3.750 4.048 -0.298 18832 154 1 . 1 1 38 38 ILE CA C 38 61.640 61.640 62.247 -0.607 18832 155 1 . 1 1 38 38 ILE CB C 38 38.880 38.880 37.658 1.222 18832 156 1 . 1 1 38 38 ILE H H 38 8.638 8.638 8.630 0.008 18832 157 1 . 1 1 39 39 LEU N N 39 126.180 126.180 125.121 1.059 18832 158 1 . 1 1 39 39 LEU HA H 39 4.380 4.380 4.724 -0.344 18832 159 1 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.242 0.248 18832 160 1 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.726 0.024 18832 161 1 . 1 1 39 39 LEU H H 39 9.163 9.163 8.796 0.367 18832 162 1 . 1 1 40 40 GLU N N 40 115.160 115.160 117.114 -1.954 18832 163 1 . 1 1 40 40 GLU HA H 40 5.020 5.020 4.751 0.269 18832 164 1 . 1 1 40 40 GLU CA C 40 55.090 55.090 55.327 -0.237 18832 165 1 . 1 1 40 40 GLU CB C 40 35.730 35.730 33.965 1.765 18832 166 1 . 1 1 40 40 GLU H H 40 7.852 7.852 7.903 -0.051 18832 167 1 . 1 1 41 41 THR HA H 41 4.270 4.270 4.509 -0.239 18832 168 1 . 1 1 41 41 THR CA C 41 61.250 61.250 59.978 1.272 18832 169 1 . 1 1 41 41 THR CB C 41 71.410 71.410 70.361 1.049 18832 170 1 . 1 1 42 42 TYR HA H 42 4.550 4.550 4.336 0.214 18832 171 1 . 1 1 43 43 GLU N N 43 124.100 124.100 119.939 4.161 18832 172 1 . 1 1 43 43 GLU HA H 43 3.740 3.740 4.335 -0.595 18832 173 1 . 1 1 43 43 GLU H H 43 8.590 8.590 8.277 0.313 18832 174 1 . 1 1 44 44 GLY N N 44 110.789 110.789 110.514 0.275 18832 175 1 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.328 0.112 18832 176 1 . 1 1 44 44 GLY H H 44 8.432 8.432 8.522 -0.090 18832 177 1 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.631 0.059 18832 178 1 . 1 1 45 45 TRP CA C 45 57.550 57.550 56.028 1.522 18832 179 1 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.748 0.852 18832 180 1 . 1 1 46 46 TYR CA C 46 54.060 54.060 54.734 -0.674 18832 181 1 . 1 1 46 46 TYR CB C 46 42.650 42.650 41.260 1.390 18832 182 1 . 1 1 47 47 ARG N N 47 118.100 118.100 121.070 -2.970 18832 183 1 . 1 1 47 47 ARG HA H 47 5.094 5.094 4.988 0.106 18832 184 1 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.357 -0.297 18832 185 1 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.875 -0.625 18832 186 1 . 1 1 47 47 ARG H H 47 8.492 8.492 8.470 0.022 18832 187 1 . 1 1 48 48 GLY N N 48 114.000 114.000 111.843 2.157 18832 188 1 . 1 1 48 48 GLY CA C 48 46.560 46.560 45.580 0.980 18832 189 1 . 1 1 48 48 GLY H H 48 9.183 9.183 8.817 0.366 18832 190 1 . 1 1 49 49 TYR N N 49 116.100 116.100 115.362 0.738 18832 191 1 . 1 1 49 49 TYR HA H 49 5.373 5.373 5.238 0.135 18832 192 1 . 1 1 49 49 TYR CA C 49 55.110 55.110 55.630 -0.520 18832 193 1 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.534 0.216 18832 194 1 . 1 1 49 49 TYR H H 49 8.194 8.194 8.092 0.102 18832 195 1 . 1 1 50 50 THR N N 50 112.350 112.350 115.626 -3.276 18832 196 1 . 1 1 50 50 THR HA H 50 5.105 5.105 4.570 0.535 18832 197 1 . 1 1 50 50 THR CA C 50 59.770 59.770 61.405 -1.635 18832 198 1 . 1 1 50 50 THR CB C 50 69.460 69.460 69.811 -0.351 18832 199 1 . 1 1 50 50 THR H H 50 9.441 9.441 8.783 0.658 18832 200 1 . 1 1 51 51 LEU N N 51 121.260 121.260 121.647 -0.387 18832 201 1 . 1 1 51 51 LEU HA H 51 4.236 4.236 4.091 0.145 18832 202 1 . 1 1 51 51 LEU CA C 51 56.790 56.790 57.272 -0.483 18832 203 1 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.159 -1.159 18832 204 1 . 1 1 51 51 LEU H H 51 8.310 8.310 8.265 0.045 18832 205 1 . 1 1 52 52 ARG N N 52 116.570 116.570 117.976 -1.406 18832 206 1 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.169 0.081 18832 207 1 . 1 1 52 52 ARG CA C 52 57.350 57.350 58.098 -0.748 18832 208 1 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.520 -0.010 18832 209 1 . 1 1 52 52 ARG H H 52 8.047 8.047 8.359 -0.312 18832 210 1 . 1 1 53 53 LYS N N 53 122.660 122.660 118.590 4.070 18832 211 1 . 1 1 53 53 LYS HA H 53 4.616 4.616 4.580 0.036 18832 212 1 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.442 -0.822 18832 213 1 . 1 1 53 53 LYS CB C 53 32.860 32.860 31.820 1.040 18832 214 1 . 1 1 53 53 LYS H H 53 7.649 7.649 7.856 -0.207 18832 215 1 . 1 1 54 54 LYS N N 54 125.010 125.010 121.742 3.268 18832 216 1 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.229 -0.139 18832 217 1 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.680 -0.210 18832 218 1 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.395 -0.265 18832 219 1 . 1 1 54 54 LYS H H 54 8.496 8.496 8.416 0.080 18832 220 1 . 1 1 55 55 SER N N 55 110.240 110.240 113.654 -3.414 18832 221 1 . 1 1 55 55 SER HA H 55 4.122 4.122 4.234 -0.112 18832 222 1 . 1 1 55 55 SER CA C 55 58.960 58.960 59.927 -0.967 18832 223 1 . 1 1 55 55 SER CB C 55 63.310 63.310 63.343 -0.033 18832 224 1 . 1 1 55 55 SER H H 55 7.857 7.857 8.195 -0.338 18832 225 1 . 1 1 56 56 LYS N N 56 124.070 124.070 121.433 2.637 18832 226 1 . 1 1 56 56 LYS HA H 56 4.668 4.668 4.325 0.343 18832 227 1 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.227 -1.417 18832 228 1 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.376 -0.126 18832 229 1 . 1 1 56 56 LYS H H 56 7.473 7.473 7.768 -0.295 18832 230 1 . 1 1 57 57 LYS N N 57 125.940 125.940 122.073 3.867 18832 231 1 . 1 1 57 57 LYS HA H 57 5.341 5.341 4.903 0.438 18832 232 1 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.934 -0.314 18832 233 1 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.015 -1.775 18832 234 1 . 1 1 57 57 LYS H H 57 8.474 8.474 8.229 0.245 18832 235 1 . 1 1 58 58 GLY N N 58 109.540 109.540 109.127 0.413 18832 236 1 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.944 0.676 18832 237 1 . 1 1 58 58 GLY H H 58 9.075 9.075 8.728 0.347 18832 238 1 . 1 1 59 59 ILE N N 59 113.900 113.900 115.392 -1.492 18832 239 1 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.040 0.960 18832 240 1 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.532 1.058 18832 241 1 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.064 0.076 18832 242 1 . 1 1 59 59 ILE H H 59 8.628 8.628 8.014 0.614 18832 243 1 . 1 1 60 60 PHE N N 60 117.040 117.040 116.719 0.321 18832 244 1 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.384 -0.264 18832 245 1 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.878 -0.818 18832 246 1 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.774 -2.584 18832 247 1 . 1 1 60 60 PHE H H 60 8.724 8.724 8.493 0.232 18832 248 1 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.613 -1.133 18832 249 1 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.301 -0.100 18832 250 1 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.620 -1.430 18832 251 1 . 1 1 62 62 ALA N N 62 124.770 124.770 126.485 -1.715 18832 252 1 . 1 1 62 62 ALA HA H 62 3.710 3.710 4.012 -0.302 18832 253 1 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.311 0.059 18832 254 1 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.111 -0.461 18832 255 1 . 1 1 62 62 ALA H H 62 7.898 7.898 8.280 -0.382 18832 256 1 . 1 1 63 63 SER N N 63 109.700 109.700 114.358 -4.658 18832 257 1 . 1 1 63 63 SER HA H 63 4.200 4.200 4.191 0.009 18832 258 1 . 1 1 63 63 SER CA C 63 59.400 59.400 60.338 -0.938 18832 259 1 . 1 1 63 63 SER CB C 63 62.380 62.380 62.801 -0.421 18832 260 1 . 1 1 63 63 SER H H 63 8.030 8.030 8.377 -0.348 18832 261 1 . 1 1 64 64 TYR N N 64 120.300 120.300 114.397 5.903 18832 262 1 . 1 1 64 64 TYR HA H 64 4.250 4.250 4.504 -0.254 18832 263 1 . 1 1 64 64 TYR CA C 64 57.720 57.720 55.324 2.396 18832 264 1 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.691 -0.131 18832 265 1 . 1 1 64 64 TYR H H 64 7.128 7.128 7.034 0.093 18832 266 1 . 1 1 65 65 ILE N N 65 118.000 118.000 120.619 -2.619 18832 267 1 . 1 1 65 65 ILE HA H 65 4.810 4.810 4.747 0.063 18832 268 1 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.230 -2.250 18832 269 1 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.809 -0.179 18832 270 1 . 1 1 65 65 ILE H H 65 7.671 7.671 7.418 0.253 18832 271 1 . 1 1 66 66 HIS N N 66 124.300 124.300 125.898 -1.598 18832 272 1 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.914 0.216 18832 273 1 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.807 -1.747 18832 274 1 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.039 -2.529 18832 275 1 . 1 1 66 66 HIS H H 66 9.159 9.159 8.854 0.305 18832 276 1 . 1 1 67 67 LEU N N 67 127.580 127.580 127.819 -0.239 18832 277 1 . 1 1 67 67 LEU HA H 67 4.570 4.570 4.335 0.235 18832 278 1 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.631 -0.331 18832 279 1 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.652 0.408 18832 280 1 . 1 1 67 67 LEU H H 67 8.992 8.992 8.577 0.415 18832 281 1 . 1 1 68 68 LYS N N 68 121.900 121.900 123.890 -1.990 18832 282 1 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.620 -0.130 18832 283 1 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.609 0.502 18832 284 1 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.270 0.341 18832 285 1 . 1 1 68 68 LYS H H 68 8.499 8.499 8.173 0.326 18832 286 1 . 1 1 69 69 GLU N N 69 122.190 122.190 120.089 2.101 18832 287 1 . 1 1 69 69 GLU HA H 69 4.280 4.280 4.350 -0.070 18832 288 1 . 1 1 69 69 GLU CA C 69 56.610 56.610 55.970 0.640 18832 289 1 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.674 0.656 18832 290 1 . 1 1 69 69 GLU H H 69 8.569 8.569 8.615 -0.046 18832 291 1 . 1 1 70 70 ALA N N 70 123.370 123.370 124.557 -1.187 18832 292 1 . 1 1 70 70 ALA HA H 70 4.200 4.200 4.139 0.061 18832 293 1 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.278 -0.468 18832 294 1 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.661 1.039 18832 295 1 . 1 1 70 70 ALA H H 70 8.181 8.181 8.102 0.079 18832 296 1 . 1 1 71 71 ILE N N 71 120.080 120.080 120.490 -0.410 18832 297 1 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.304 -0.234 18832 298 1 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.973 -0.643 18832 299 1 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.817 -0.127 18832 300 1 . 1 1 71 71 ILE H H 71 7.776 7.776 8.200 -0.424 18832 301 1 . 1 1 72 72 VAL N N 72 124.540 124.540 123.680 0.860 18832 302 1 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.361 -0.291 18832 303 1 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.838 -0.198 18832 304 1 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.462 0.228 18832 305 1 . 1 1 72 72 VAL H H 72 8.089 8.089 8.272 -0.183 18832 306 1 . 1 1 73 73 GLU N N 73 125.940 125.940 125.060 0.880 18832 307 1 . 1 1 73 73 GLU HA H 73 4.280 4.280 4.469 -0.189 18832 308 1 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.346 0.264 18832 309 1 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.052 0.658 18832 310 1 . 1 1 73 73 GLU H H 73 8.464 8.464 8.697 -0.233 18832 stop_ save_