data_18797 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18797 _Entry.PDB_ID 2M07 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 18797 _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 2 114.280 114.280 111.903 2.377 18797 2 1 1 . 1 1 2 2 THR C C 2 173.570 173.570 173.498 0.072 18797 3 1 1 . 1 1 2 2 THR CA C 2 61.040 61.040 62.713 -1.673 18797 4 1 1 . 1 1 2 2 THR CB C 2 71.930 71.930 67.308 4.622 18797 5 1 1 . 1 1 2 2 THR H H 2 8.490 8.490 8.997 -0.507 18797 6 1 1 . 1 1 3 3 SER N N 3 122.430 122.430 114.440 7.990 18797 7 1 1 . 1 1 3 3 SER C C 3 172.590 172.590 172.944 -0.354 18797 8 1 1 . 1 1 3 3 SER CA C 3 56.760 56.760 56.114 0.646 18797 9 1 1 . 1 1 3 3 SER CB C 3 65.480 65.480 67.451 -1.972 18797 10 1 1 . 1 1 3 3 SER H H 3 9.000 9.000 7.783 1.217 18797 11 1 1 . 1 1 4 4 THR N N 4 117.240 117.240 118.238 -0.998 18797 12 1 1 . 1 1 4 4 THR C C 4 174.640 174.640 173.195 1.445 18797 13 1 1 . 1 1 4 4 THR CA C 4 61.390 61.390 61.542 -0.152 18797 14 1 1 . 1 1 4 4 THR CB C 4 70.680 70.680 72.079 -1.399 18797 15 1 1 . 1 1 4 4 THR H H 4 8.610 8.610 8.016 0.594 18797 16 1 1 . 1 1 5 5 VAL N N 5 129.440 129.440 126.421 3.019 18797 17 1 1 . 1 1 5 5 VAL C C 5 174.770 174.770 174.598 0.172 18797 18 1 1 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.673 -0.913 18797 19 1 1 . 1 1 5 5 VAL CB C 5 33.490 33.490 32.992 0.498 18797 20 1 1 . 1 1 5 5 VAL H H 5 8.750 8.750 7.885 0.865 18797 21 1 1 . 1 1 6 6 THR N N 6 116.430 116.430 122.892 -6.462 18797 22 1 1 . 1 1 6 6 THR C C 6 172.930 172.930 173.151 -0.221 18797 23 1 1 . 1 1 6 6 THR CA C 6 58.590 58.590 60.601 -2.011 18797 24 1 1 . 1 1 6 6 THR CB C 6 70.930 70.930 71.650 -0.720 18797 25 1 1 . 1 1 6 6 THR H H 6 8.890 8.890 7.888 1.002 18797 26 1 1 . 1 1 7 7 GLY N N 7 105.590 105.590 110.797 -5.207 18797 27 1 1 . 1 1 7 7 GLY C C 7 172.430 172.430 171.812 0.618 18797 28 1 1 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.410 0.910 18797 29 1 1 . 1 1 7 7 GLY H H 7 8.760 8.760 8.254 0.506 18797 30 1 1 . 1 1 8 8 GLY N N 8 106.530 106.530 109.058 -2.528 18797 31 1 1 . 1 1 8 8 GLY C C 8 173.030 173.030 171.680 1.350 18797 32 1 1 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.136 1.794 18797 33 1 1 . 1 1 8 8 GLY H H 8 9.100 9.100 7.543 1.557 18797 34 1 1 . 1 1 9 9 TYR N N 9 121.730 121.730 118.771 2.959 18797 35 1 1 . 1 1 9 9 TYR C C 9 172.390 172.390 174.385 -1.995 18797 36 1 1 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.399 0.441 18797 37 1 1 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.098 -1.018 18797 38 1 1 . 1 1 9 9 TYR H H 9 8.410 8.410 8.120 0.290 18797 39 1 1 . 1 1 10 10 ALA N N 10 128.460 128.460 123.760 4.700 18797 40 1 1 . 1 1 10 10 ALA C C 10 174.020 174.020 175.693 -1.673 18797 41 1 1 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.647 -1.437 18797 42 1 1 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.320 -0.100 18797 43 1 1 . 1 1 10 10 ALA H H 10 6.910 6.910 9.086 -2.176 18797 44 1 1 . 1 1 11 11 GLN N N 11 118.830 118.830 123.591 -4.761 18797 45 1 1 . 1 1 11 11 GLN C C 11 175.650 175.650 174.897 0.753 18797 46 1 1 . 1 1 11 11 GLN CA C 11 53.830 53.830 54.082 -0.252 18797 47 1 1 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.681 -0.621 18797 48 1 1 . 1 1 11 11 GLN H H 11 8.100 8.100 8.451 -0.351 18797 49 1 1 . 1 1 12 12 SER N N 12 124.200 124.200 121.601 2.599 18797 50 1 1 . 1 1 12 12 SER C C 12 172.710 172.710 173.702 -0.992 18797 51 1 1 . 1 1 12 12 SER CA C 12 57.190 57.190 56.055 1.135 18797 52 1 1 . 1 1 12 12 SER CB C 12 64.180 64.180 64.789 -0.609 18797 53 1 1 . 1 1 12 12 SER H H 12 9.160 9.160 8.606 0.554 18797 54 1 1 . 1 1 13 13 ASP N N 13 124.950 124.950 128.540 -3.590 18797 55 1 1 . 1 1 13 13 ASP C C 13 174.860 174.860 175.009 -0.149 18797 56 1 1 . 1 1 13 13 ASP CA C 13 52.960 52.960 54.473 -1.513 18797 57 1 1 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.257 0.663 18797 58 1 1 . 1 1 13 13 ASP H H 13 9.070 9.070 8.303 0.767 18797 59 1 1 . 1 1 14 14 ALA N N 14 128.730 128.730 125.812 2.918 18797 60 1 1 . 1 1 14 14 ALA C C 14 176.230 176.230 176.897 -0.667 18797 61 1 1 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.413 -1.603 18797 62 1 1 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.552 -1.052 18797 63 1 1 . 1 1 14 14 ALA H H 14 8.560 8.560 8.091 0.469 18797 64 1 1 . 1 1 15 15 GLN N N 15 122.750 122.750 122.796 -0.046 18797 65 1 1 . 1 1 15 15 GLN C C 15 176.660 176.660 176.286 0.374 18797 66 1 1 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.170 2.950 18797 67 1 1 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.488 -2.328 18797 68 1 1 . 1 1 15 15 GLN H H 15 8.340 8.340 8.754 -0.414 18797 69 1 1 . 1 1 16 16 GLY N N 16 112.800 112.800 109.294 3.506 18797 70 1 1 . 1 1 16 16 GLY C C 16 174.400 174.400 173.786 0.614 18797 71 1 1 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.575 -0.395 18797 72 1 1 . 1 1 16 16 GLY H H 16 8.650 8.650 8.541 0.109 18797 73 1 1 . 1 1 17 17 GLN N N 17 119.300 119.300 118.731 0.569 18797 74 1 1 . 1 1 17 17 GLN C C 17 175.720 175.720 174.966 0.754 18797 75 1 1 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.746 -2.146 18797 76 1 1 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.533 5.267 18797 77 1 1 . 1 1 17 17 GLN H H 17 8.080 8.080 8.840 -0.760 18797 78 1 1 . 1 1 18 18 MET N N 18 120.170 120.170 116.026 4.144 18797 79 1 1 . 1 1 18 18 MET C C 18 175.400 175.400 174.225 1.175 18797 80 1 1 . 1 1 18 18 MET CA C 18 55.980 55.980 54.147 1.833 18797 81 1 1 . 1 1 18 18 MET CB C 18 35.590 35.590 36.162 -0.572 18797 82 1 1 . 1 1 18 18 MET H H 18 8.370 8.370 7.752 0.618 18797 83 1 1 . 1 1 19 19 ASN N N 19 117.900 117.900 117.683 0.217 18797 84 1 1 . 1 1 19 19 ASN C C 19 174.400 174.400 174.097 0.303 18797 85 1 1 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.057 0.243 18797 86 1 1 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.489 -0.088 18797 87 1 1 . 1 1 19 19 ASN H H 19 7.990 7.990 8.431 -0.441 18797 88 1 1 . 1 1 20 20 LYS N N 20 120.800 120.800 119.147 1.653 18797 89 1 1 . 1 1 20 20 LYS C C 20 176.410 176.410 176.322 0.088 18797 90 1 1 . 1 1 20 20 LYS CA C 20 55.700 55.700 55.795 -0.095 18797 91 1 1 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.435 -1.535 18797 92 1 1 . 1 1 20 20 LYS H H 20 8.340 8.340 8.295 0.045 18797 93 1 1 . 1 1 21 21 MET N N 21 120.500 120.500 117.905 2.595 18797 94 1 1 . 1 1 21 21 MET C C 21 175.270 175.270 174.953 0.317 18797 95 1 1 . 1 1 21 21 MET CA C 21 54.800 54.800 54.663 0.137 18797 96 1 1 . 1 1 21 21 MET CB C 21 34.730 34.730 37.737 -3.007 18797 97 1 1 . 1 1 21 21 MET H H 21 8.580 8.580 7.863 0.717 18797 98 1 1 . 1 1 22 22 GLY N N 22 111.280 111.280 107.568 3.712 18797 99 1 1 . 1 1 22 22 GLY C C 22 174.030 174.030 172.383 1.647 18797 100 1 1 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.843 -0.032 18797 101 1 1 . 1 1 22 22 GLY H H 22 8.430 8.430 8.342 0.088 18797 102 1 1 . 1 1 23 23 GLY N N 23 120.170 120.170 108.923 11.247 18797 103 1 1 . 1 1 23 23 GLY C C 23 171.850 171.850 171.811 0.039 18797 104 1 1 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.023 2.127 18797 105 1 1 . 1 1 23 23 GLY H H 23 8.180 8.180 8.322 -0.142 18797 106 1 1 . 1 1 24 24 PHE N N 24 121.370 121.370 123.167 -1.797 18797 107 1 1 . 1 1 24 24 PHE C C 24 171.570 171.570 173.554 -1.984 18797 108 1 1 . 1 1 24 24 PHE CA C 24 54.730 54.730 55.735 -1.005 18797 109 1 1 . 1 1 24 24 PHE CB C 24 43.510 43.510 43.279 0.231 18797 110 1 1 . 1 1 24 24 PHE H H 24 9.230 9.230 8.569 0.661 18797 111 1 1 . 1 1 25 25 ASN N N 25 118.950 118.950 124.218 -5.268 18797 112 1 1 . 1 1 25 25 ASN C C 25 172.080 172.080 172.967 -0.887 18797 113 1 1 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.433 -0.563 18797 114 1 1 . 1 1 25 25 ASN CB C 25 46.450 46.450 41.364 5.086 18797 115 1 1 . 1 1 25 25 ASN H H 25 8.520 8.520 7.841 0.679 18797 116 1 1 . 1 1 26 26 LEU N N 26 126.150 126.150 123.155 2.995 18797 117 1 1 . 1 1 26 26 LEU C C 26 175.620 175.620 175.022 0.598 18797 118 1 1 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.568 -0.078 18797 119 1 1 . 1 1 26 26 LEU CB C 26 46.630 46.630 46.131 0.499 18797 120 1 1 . 1 1 26 26 LEU H H 26 9.340 9.340 8.227 1.113 18797 121 1 1 . 1 1 27 27 LYS N N 27 117.980 117.980 123.741 -5.761 18797 122 1 1 . 1 1 27 27 LYS C C 27 175.120 175.120 175.144 -0.024 18797 123 1 1 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.121 1.069 18797 124 1 1 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.248 0.322 18797 125 1 1 . 1 1 27 27 LYS H H 27 8.850 8.850 8.062 0.788 18797 126 1 1 . 1 1 28 28 TYR N N 28 120.820 120.820 120.462 0.358 18797 127 1 1 . 1 1 28 28 TYR C C 28 172.480 172.480 174.900 -2.420 18797 128 1 1 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.024 0.256 18797 129 1 1 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.242 -0.342 18797 130 1 1 . 1 1 28 28 TYR H H 28 8.430 8.430 8.421 0.010 18797 131 1 1 . 1 1 29 29 ARG N N 29 129.660 129.660 121.617 8.043 18797 132 1 1 . 1 1 29 29 ARG C C 29 172.780 172.780 174.157 -1.377 18797 133 1 1 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.858 -0.858 18797 134 1 1 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.831 -0.822 18797 135 1 1 . 1 1 29 29 ARG H H 29 8.670 8.670 8.207 0.463 18797 136 1 1 . 1 1 30 30 TYR N N 30 127.210 127.210 122.395 4.815 18797 137 1 1 . 1 1 30 30 TYR C C 30 175.000 175.000 175.848 -0.848 18797 138 1 1 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.321 0.509 18797 139 1 1 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.672 1.468 18797 140 1 1 . 1 1 30 30 TYR H H 30 8.930 8.930 8.177 0.753 18797 141 1 1 . 1 1 31 31 GLU N N 31 128.090 128.090 123.780 4.310 18797 142 1 1 . 1 1 31 31 GLU C C 31 174.250 174.250 175.782 -1.532 18797 143 1 1 . 1 1 31 31 GLU CA C 31 54.630 54.630 56.076 -1.446 18797 144 1 1 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.507 1.983 18797 145 1 1 . 1 1 31 31 GLU H H 31 8.170 8.170 8.609 -0.439 18797 146 1 1 . 1 1 32 32 GLU N N 32 122.610 122.610 125.374 -2.764 18797 147 1 1 . 1 1 32 32 GLU C C 32 176.920 176.920 176.261 0.659 18797 148 1 1 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.857 -0.287 18797 149 1 1 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.772 -2.002 18797 150 1 1 . 1 1 32 32 GLU H H 32 9.120 9.120 8.624 0.496 18797 151 1 1 . 1 1 33 33 ASP N N 33 121.920 121.920 120.821 1.099 18797 152 1 1 . 1 1 33 33 ASP C C 33 176.990 176.990 175.758 1.232 18797 153 1 1 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.609 2.261 18797 154 1 1 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.607 -1.337 18797 155 1 1 . 1 1 33 33 ASP H H 33 8.600 8.600 8.405 0.195 18797 156 1 1 . 1 1 34 34 ASN N N 34 115.300 115.300 116.908 -1.608 18797 157 1 1 . 1 1 34 34 ASN C C 34 174.280 174.280 176.637 -2.357 18797 158 1 1 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.233 -1.873 18797 159 1 1 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.648 -0.698 18797 160 1 1 . 1 1 34 34 ASN H H 34 8.420 8.420 8.575 -0.155 18797 161 1 1 . 1 1 35 35 SER N N 35 112.970 112.970 113.750 -0.780 18797 162 1 1 . 1 1 35 35 SER CA C 35 54.260 54.260 58.898 -4.638 18797 163 1 1 . 1 1 35 35 SER CB C 35 64.920 64.920 63.226 1.694 18797 164 1 1 . 1 1 35 35 SER H H 35 7.270 7.270 8.436 -1.166 18797 165 1 1 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.279 1.081 18797 166 1 1 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.731 -1.261 18797 167 1 1 . 1 1 37 37 LEU N N 37 123.000 123.000 121.346 1.654 18797 168 1 1 . 1 1 37 37 LEU C C 37 176.300 176.300 177.360 -1.060 18797 169 1 1 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.268 -0.428 18797 170 1 1 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.663 1.027 18797 171 1 1 . 1 1 37 37 LEU H H 37 7.910 7.910 8.260 -0.350 18797 172 1 1 . 1 1 38 38 GLY N N 38 117.320 117.320 107.838 9.482 18797 173 1 1 . 1 1 38 38 GLY C C 38 172.340 172.340 173.039 -0.699 18797 174 1 1 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.130 0.299 18797 175 1 1 . 1 1 38 38 GLY H H 38 9.110 9.110 7.994 1.116 18797 176 1 1 . 1 1 39 39 VAL N N 39 116.550 116.550 125.298 -8.748 18797 177 1 1 . 1 1 39 39 VAL C C 39 171.720 171.720 175.402 -3.682 18797 178 1 1 . 1 1 39 39 VAL CA C 39 59.000 59.000 62.230 -3.230 18797 179 1 1 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.921 2.689 18797 180 1 1 . 1 1 39 39 VAL H H 39 7.980 7.980 8.259 -0.279 18797 181 1 1 . 1 1 40 40 ILE N N 40 125.640 125.640 127.350 -1.710 18797 182 1 1 . 1 1 40 40 ILE C C 40 171.600 171.600 175.058 -3.458 18797 183 1 1 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.520 -0.980 18797 184 1 1 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.379 2.752 18797 185 1 1 . 1 1 40 40 ILE H H 40 9.160 9.160 8.552 0.608 18797 186 1 1 . 1 1 41 41 GLY N N 41 111.830 111.830 113.069 -1.239 18797 187 1 1 . 1 1 41 41 GLY C C 41 172.000 172.000 172.231 -0.231 18797 188 1 1 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.093 -0.943 18797 189 1 1 . 1 1 41 41 GLY H H 41 8.930 8.930 8.570 0.360 18797 190 1 1 . 1 1 42 42 SER N N 42 116.940 116.940 118.652 -1.712 18797 191 1 1 . 1 1 42 42 SER C C 42 172.100 172.100 172.683 -0.583 18797 192 1 1 . 1 1 42 42 SER CA C 42 56.220 56.220 56.338 -0.118 18797 193 1 1 . 1 1 42 42 SER CB C 42 62.920 62.920 66.099 -3.179 18797 194 1 1 . 1 1 42 42 SER H H 42 9.190 9.190 8.577 0.613 18797 195 1 1 . 1 1 43 43 PHE N N 43 129.230 129.230 128.241 0.989 18797 196 1 1 . 1 1 43 43 PHE C C 43 172.920 172.920 174.117 -1.197 18797 197 1 1 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.206 -0.246 18797 198 1 1 . 1 1 43 43 PHE CB C 43 42.430 42.430 43.060 -0.630 18797 199 1 1 . 1 1 43 43 PHE H H 43 9.300 9.300 8.749 0.551 18797 200 1 1 . 1 1 44 44 THR N N 44 126.530 126.530 124.841 1.689 18797 201 1 1 . 1 1 44 44 THR C C 44 171.340 171.340 172.446 -1.106 18797 202 1 1 . 1 1 44 44 THR CA C 44 60.410 60.410 60.858 -0.448 18797 203 1 1 . 1 1 44 44 THR CB C 44 70.220 70.220 71.200 -0.980 18797 204 1 1 . 1 1 44 44 THR H H 44 8.820 8.820 8.207 0.613 18797 205 1 1 . 1 1 45 45 TYR N N 45 125.840 125.840 127.639 -1.799 18797 206 1 1 . 1 1 45 45 TYR C C 45 174.000 174.000 173.962 0.038 18797 207 1 1 . 1 1 45 45 TYR CA C 45 55.670 55.670 55.936 -0.266 18797 208 1 1 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.407 -1.407 18797 209 1 1 . 1 1 45 45 TYR H H 45 8.210 8.210 8.709 -0.499 18797 210 1 1 . 1 1 46 46 THR N N 46 117.670 117.670 124.087 -6.417 18797 211 1 1 . 1 1 46 46 THR C C 46 171.910 171.910 173.283 -1.373 18797 212 1 1 . 1 1 46 46 THR CA C 46 58.720 58.720 61.084 -2.364 18797 213 1 1 . 1 1 46 46 THR CB C 46 71.710 71.710 70.236 1.474 18797 214 1 1 . 1 1 46 46 THR H H 46 8.550 8.550 7.653 0.897 18797 215 1 1 . 1 1 47 47 GLU N N 47 112.160 112.160 124.765 -12.605 18797 216 1 1 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.343 -0.763 18797 217 1 1 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.011 -1.341 18797 218 1 1 . 1 1 47 47 GLU H H 47 8.170 8.170 8.925 -0.755 18797 219 1 1 . 1 1 49 49 SER CA C 49 58.210 58.210 58.354 -0.144 18797 220 1 1 . 1 1 49 49 SER CB C 49 64.070 64.070 64.124 -0.054 18797 221 1 1 . 1 1 49 49 SER H H 49 174.130 174.130 8.509 165.621 18797 222 1 1 . 1 1 50 50 ARG N N 50 124.000 124.000 123.196 0.804 18797 223 1 1 . 1 1 50 50 ARG C C 50 176.270 176.270 176.178 0.092 18797 224 1 1 . 1 1 50 50 ARG CA C 50 55.960 55.960 56.979 -1.019 18797 225 1 1 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.490 0.490 18797 226 1 1 . 1 1 50 50 ARG H H 50 8.600 8.600 8.504 0.096 18797 227 1 1 . 1 1 51 51 THR N N 51 115.720 115.720 113.984 1.736 18797 228 1 1 . 1 1 51 51 THR C C 51 174.400 174.400 174.224 0.176 18797 229 1 1 . 1 1 51 51 THR CA C 51 61.820 61.820 60.610 1.210 18797 230 1 1 . 1 1 51 51 THR H H 51 8.240 8.240 8.388 -0.148 18797 231 1 1 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.555 -0.555 18797 232 1 1 . 1 1 52 52 ALA CB C 52 18.800 18.800 18.763 0.037 18797 233 1 1 . 1 1 52 52 ALA H H 52 175.230 175.230 8.213 167.017 18797 234 1 1 . 1 1 53 53 SER N N 53 113.990 113.990 115.918 -1.928 18797 235 1 1 . 1 1 53 53 SER C C 53 175.360 175.360 174.545 0.815 18797 236 1 1 . 1 1 53 53 SER CA C 53 58.350 58.350 58.062 0.288 18797 237 1 1 . 1 1 53 53 SER CB C 53 62.930 62.930 63.616 -0.686 18797 238 1 1 . 1 1 53 53 SER H H 53 8.000 8.000 8.221 -0.221 18797 239 1 1 . 1 1 54 54 SER N N 54 113.510 113.510 119.825 -6.315 18797 240 1 1 . 1 1 54 54 SER C C 54 173.880 173.880 175.809 -1.929 18797 241 1 1 . 1 1 54 54 SER CA C 54 58.500 58.500 58.965 -0.465 18797 242 1 1 . 1 1 54 54 SER CB C 54 62.960 62.960 63.209 -0.249 18797 243 1 1 . 1 1 54 54 SER H H 54 8.050 8.050 8.706 -0.656 18797 244 1 1 . 1 1 55 55 GLY N N 55 112.640 112.640 108.361 4.279 18797 245 1 1 . 1 1 55 55 GLY CA C 55 44.200 44.200 45.367 -1.167 18797 246 1 1 . 1 1 55 55 GLY H H 55 8.140 8.140 7.681 0.459 18797 247 1 1 . 1 1 56 56 ASP CA C 56 54.100 54.100 53.955 0.145 18797 248 1 1 . 1 1 56 56 ASP CB C 56 41.000 41.000 42.119 -1.119 18797 249 1 1 . 1 1 56 56 ASP H H 56 175.600 175.600 7.629 167.971 18797 250 1 1 . 1 1 57 57 TYR N N 57 121.140 121.140 119.366 1.774 18797 251 1 1 . 1 1 57 57 TYR CA C 57 57.280 57.280 57.099 0.181 18797 252 1 1 . 1 1 57 57 TYR CB C 57 38.400 38.400 41.320 -2.920 18797 253 1 1 . 1 1 57 57 TYR H H 57 8.150 8.150 7.560 0.590 18797 254 1 1 . 1 1 59 59 LYS CA C 59 55.410 55.410 57.857 -2.447 18797 255 1 1 . 1 1 59 59 LYS CB C 59 34.220 34.220 32.449 1.771 18797 256 1 1 . 1 1 60 60 ASN N N 60 122.740 122.740 115.934 6.806 18797 257 1 1 . 1 1 60 60 ASN C C 60 175.260 175.260 174.334 0.926 18797 258 1 1 . 1 1 60 60 ASN CA C 60 52.200 52.200 51.714 0.486 18797 259 1 1 . 1 1 60 60 ASN CB C 60 40.230 40.230 38.784 1.446 18797 260 1 1 . 1 1 60 60 ASN H H 60 8.360 8.360 7.720 0.640 18797 261 1 1 . 1 1 61 61 GLN N N 61 120.450 120.450 121.266 -0.816 18797 262 1 1 . 1 1 61 61 GLN C C 61 172.500 172.500 173.537 -1.037 18797 263 1 1 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.080 0.660 18797 264 1 1 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.451 1.389 18797 265 1 1 . 1 1 61 61 GLN H H 61 8.530 8.530 7.827 0.703 18797 266 1 1 . 1 1 62 62 TYR N N 62 123.620 123.620 118.813 4.807 18797 267 1 1 . 1 1 62 62 TYR C C 62 171.430 171.430 174.749 -3.319 18797 268 1 1 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.513 1.327 18797 269 1 1 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.441 -1.510 18797 270 1 1 . 1 1 62 62 TYR H H 62 8.610 8.610 7.932 0.678 18797 271 1 1 . 1 1 63 63 TYR N N 63 123.920 123.920 119.716 4.204 18797 272 1 1 . 1 1 63 63 TYR C C 63 174.280 174.280 174.912 -0.632 18797 273 1 1 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.522 -0.942 18797 274 1 1 . 1 1 63 63 TYR CB C 63 41.320 41.320 41.730 -0.410 18797 275 1 1 . 1 1 63 63 TYR H H 63 8.400 8.400 8.142 0.258 18797 276 1 1 . 1 1 64 64 GLY N N 64 107.510 107.510 109.147 -1.637 18797 277 1 1 . 1 1 64 64 GLY C C 64 174.090 174.090 171.976 2.114 18797 278 1 1 . 1 1 64 64 GLY CA C 64 44.570 44.570 44.145 0.425 18797 279 1 1 . 1 1 64 64 GLY H H 64 8.760 8.760 8.313 0.447 18797 280 1 1 . 1 1 65 65 ILE N N 65 128.470 128.470 125.424 3.046 18797 281 1 1 . 1 1 65 65 ILE C C 65 174.350 174.350 175.257 -0.907 18797 282 1 1 . 1 1 65 65 ILE CA C 65 59.960 59.960 60.135 -0.174 18797 283 1 1 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.694 -0.954 18797 284 1 1 . 1 1 65 65 ILE H H 65 8.900 8.900 8.391 0.509 18797 285 1 1 . 1 1 66 66 THR N N 66 115.890 115.890 118.201 -2.311 18797 286 1 1 . 1 1 66 66 THR C C 66 172.600 172.600 172.997 -0.397 18797 287 1 1 . 1 1 66 66 THR CA C 66 58.670 58.670 59.406 -0.736 18797 288 1 1 . 1 1 66 66 THR CB C 66 73.100 73.100 71.859 1.240 18797 289 1 1 . 1 1 66 66 THR H H 66 8.900 8.900 8.713 0.187 18797 290 1 1 . 1 1 67 67 ALA N N 67 119.730 119.730 123.148 -3.418 18797 291 1 1 . 1 1 67 67 ALA C C 67 176.670 176.670 175.510 1.160 18797 292 1 1 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.875 0.625 18797 293 1 1 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.760 -0.700 18797 294 1 1 . 1 1 67 67 ALA H H 67 9.370 9.370 8.759 0.611 18797 295 1 1 . 1 1 68 68 GLY N N 68 104.240 104.240 106.794 -2.554 18797 296 1 1 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.569 1.351 18797 297 1 1 . 1 1 68 68 GLY H H 68 8.900 8.900 8.290 0.610 18797 298 1 1 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.146 -0.106 18797 299 1 1 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.755 -0.065 18797 300 1 1 . 1 1 70 70 ALA N N 70 120.220 120.220 126.902 -6.682 18797 301 1 1 . 1 1 70 70 ALA C C 70 175.590 175.590 176.106 -0.516 18797 302 1 1 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.082 -1.592 18797 303 1 1 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.710 0.270 18797 304 1 1 . 1 1 70 70 ALA H H 70 7.870 7.870 8.647 -0.777 18797 305 1 1 . 1 1 71 71 TYR N N 71 126.080 126.080 122.255 3.825 18797 306 1 1 . 1 1 71 71 TYR C C 71 174.090 174.090 175.139 -1.049 18797 307 1 1 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.957 -0.837 18797 308 1 1 . 1 1 71 71 TYR CB C 71 41.920 41.920 41.529 0.391 18797 309 1 1 . 1 1 71 71 TYR H H 71 9.780 9.780 9.061 0.719 18797 310 1 1 . 1 1 72 72 ARG N N 72 131.410 131.410 126.127 5.283 18797 311 1 1 . 1 1 72 72 ARG C C 72 174.160 174.160 175.127 -0.967 18797 312 1 1 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.238 0.782 18797 313 1 1 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.805 -1.185 18797 314 1 1 . 1 1 72 72 ARG H H 72 8.770 8.770 8.737 0.033 18797 315 1 1 . 1 1 73 73 ILE N N 73 129.550 129.550 126.882 2.668 18797 316 1 1 . 1 1 73 73 ILE C C 73 175.730 175.730 176.094 -0.364 18797 317 1 1 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.585 2.365 18797 318 1 1 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.560 -1.050 18797 319 1 1 . 1 1 73 73 ILE H H 73 8.400 8.400 8.242 0.158 18797 320 1 1 . 1 1 74 74 ASN N N 74 114.870 114.870 124.948 -10.078 18797 321 1 1 . 1 1 74 74 ASN C C 74 174.860 174.860 175.494 -0.634 18797 322 1 1 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.001 -3.171 18797 323 1 1 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.606 -1.766 18797 324 1 1 . 1 1 74 74 ASN H H 74 7.920 7.920 8.807 -0.887 18797 325 1 1 . 1 1 75 75 ASP N N 75 113.980 113.980 119.359 -5.379 18797 326 1 1 . 1 1 75 75 ASP C C 75 175.820 175.820 177.810 -1.990 18797 327 1 1 . 1 1 75 75 ASP CA C 75 56.920 56.920 54.346 2.574 18797 328 1 1 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.276 -1.046 18797 329 1 1 . 1 1 75 75 ASP H H 75 8.320 8.320 8.053 0.267 18797 330 1 1 . 1 1 76 76 TRP N N 76 113.600 113.600 118.146 -4.546 18797 331 1 1 . 1 1 76 76 TRP C C 76 176.310 176.310 174.868 1.442 18797 332 1 1 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.226 -0.816 18797 333 1 1 . 1 1 76 76 TRP CB C 76 31.160 31.160 27.282 3.878 18797 334 1 1 . 1 1 76 76 TRP H H 76 7.970 7.970 8.819 -0.849 18797 335 1 1 . 1 1 77 77 ALA N N 77 125.520 125.520 122.585 2.935 18797 336 1 1 . 1 1 77 77 ALA C C 77 175.620 175.620 176.717 -1.097 18797 337 1 1 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.089 0.981 18797 338 1 1 . 1 1 77 77 ALA CB C 77 21.140 21.140 18.824 2.316 18797 339 1 1 . 1 1 77 77 ALA H H 77 7.740 7.740 7.558 0.182 18797 340 1 1 . 1 1 78 78 SER N N 78 114.140 114.140 116.061 -1.921 18797 341 1 1 . 1 1 78 78 SER C C 78 170.060 170.060 173.595 -3.535 18797 342 1 1 . 1 1 78 78 SER CA C 78 57.250 57.250 59.374 -2.124 18797 343 1 1 . 1 1 78 78 SER CB C 78 65.320 65.320 64.282 1.038 18797 344 1 1 . 1 1 78 78 SER H H 78 8.100 8.100 7.628 0.472 18797 345 1 1 . 1 1 79 79 ILE N N 79 120.650 120.650 124.644 -3.994 18797 346 1 1 . 1 1 79 79 ILE C C 79 172.470 172.470 174.315 -1.845 18797 347 1 1 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.496 -2.046 18797 348 1 1 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.077 1.023 18797 349 1 1 . 1 1 79 79 ILE H H 79 8.960 8.960 8.263 0.697 18797 350 1 1 . 1 1 80 80 TYR N N 80 120.580 120.580 128.987 -8.407 18797 351 1 1 . 1 1 80 80 TYR C C 80 173.000 173.000 173.732 -0.732 18797 352 1 1 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.704 0.276 18797 353 1 1 . 1 1 80 80 TYR CB C 80 41.030 41.030 42.594 -1.564 18797 354 1 1 . 1 1 80 80 TYR H H 80 8.360 8.360 8.567 -0.207 18797 355 1 1 . 1 1 81 81 GLY N N 81 106.140 106.140 113.298 -7.158 18797 356 1 1 . 1 1 81 81 GLY C C 81 170.920 170.920 171.021 -0.101 18797 357 1 1 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.399 0.601 18797 358 1 1 . 1 1 81 81 GLY H H 81 8.050 8.050 8.071 -0.021 18797 359 1 1 . 1 1 82 82 VAL N N 82 111.380 111.380 122.706 -11.326 18797 360 1 1 . 1 1 82 82 VAL C C 82 174.370 174.370 173.299 1.071 18797 361 1 1 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.363 -1.183 18797 362 1 1 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.046 0.394 18797 363 1 1 . 1 1 82 82 VAL H H 82 8.490 8.490 7.809 0.681 18797 364 1 1 . 1 1 83 83 VAL N N 83 113.660 113.660 120.953 -7.293 18797 365 1 1 . 1 1 83 83 VAL C C 83 174.680 174.680 174.378 0.302 18797 366 1 1 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.118 -0.028 18797 367 1 1 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.884 1.136 18797 368 1 1 . 1 1 83 83 VAL H H 83 8.970 8.970 8.426 0.544 18797 369 1 1 . 1 1 84 84 GLY N N 84 108.310 108.310 110.888 -2.578 18797 370 1 1 . 1 1 84 84 GLY C C 84 171.440 171.440 172.402 -0.962 18797 371 1 1 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.497 2.273 18797 372 1 1 . 1 1 84 84 GLY H H 84 8.480 8.480 8.634 -0.154 18797 373 1 1 . 1 1 85 85 VAL N N 85 122.520 122.520 116.582 5.938 18797 374 1 1 . 1 1 85 85 VAL C C 85 172.560 172.560 174.600 -2.040 18797 375 1 1 . 1 1 85 85 VAL CA C 85 59.170 59.170 58.698 0.472 18797 376 1 1 . 1 1 85 85 VAL CB C 85 35.810 35.810 33.376 2.434 18797 377 1 1 . 1 1 85 85 VAL H H 85 8.920 8.920 8.307 0.613 18797 378 1 1 . 1 1 86 86 GLY N N 86 113.360 113.360 114.132 -0.772 18797 379 1 1 . 1 1 86 86 GLY C C 86 172.210 172.210 172.035 0.175 18797 380 1 1 . 1 1 86 86 GLY CA C 86 43.280 43.280 44.101 -0.821 18797 381 1 1 . 1 1 86 86 GLY H H 86 8.880 8.880 8.655 0.225 18797 382 1 1 . 1 1 87 87 TYR N N 87 123.830 123.830 120.394 3.436 18797 383 1 1 . 1 1 87 87 TYR C C 87 174.030 174.030 173.480 0.550 18797 384 1 1 . 1 1 87 87 TYR CA C 87 55.930 55.930 54.984 0.946 18797 385 1 1 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.259 0.771 18797 386 1 1 . 1 1 87 87 TYR H H 87 9.310 9.310 8.532 0.778 18797 387 1 1 . 1 1 88 88 GLY N N 88 112.300 112.300 106.632 5.668 18797 388 1 1 . 1 1 88 88 GLY C C 88 170.620 170.620 171.632 -1.012 18797 389 1 1 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.358 1.042 18797 390 1 1 . 1 1 88 88 GLY H H 88 8.000 8.000 8.453 -0.453 18797 391 1 1 . 1 1 89 89 LYS N N 89 122.410 122.410 123.861 -1.451 18797 392 1 1 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.146 0.334 18797 393 1 1 . 1 1 89 89 LYS H H 89 8.230 8.230 7.953 0.277 18797 394 1 1 . 1 1 90 90 PHE C C 90 175.190 175.190 175.741 -0.551 18797 395 1 1 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.226 -2.196 18797 396 1 1 . 1 1 90 90 PHE CB C 90 40.510 40.510 40.468 0.042 18797 397 1 1 . 1 1 91 91 GLN N N 91 122.380 122.380 124.599 -2.219 18797 398 1 1 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.575 0.755 18797 399 1 1 . 1 1 91 91 GLN CB C 91 29.700 29.700 32.535 -2.835 18797 400 1 1 . 1 1 91 91 GLN H H 91 8.370 8.370 8.466 -0.096 18797 401 1 1 . 1 1 94 94 GLU N N 94 175.780 175.780 116.585 59.195 18797 402 1 1 . 1 1 94 94 GLU CA C 94 57.030 57.030 56.949 0.081 18797 403 1 1 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.846 -0.386 18797 404 1 1 . 1 1 95 95 TYR N N 95 120.240 120.240 119.961 0.279 18797 405 1 1 . 1 1 95 95 TYR CA C 95 55.290 55.290 59.919 -4.629 18797 406 1 1 . 1 1 95 95 TYR CB C 95 37.730 37.730 38.623 -0.893 18797 407 1 1 . 1 1 95 95 TYR H H 95 7.830 7.830 8.170 -0.340 18797 408 1 1 . 1 1 97 97 THR CA C 97 62.210 62.210 62.588 -0.378 18797 409 1 1 . 1 1 97 97 THR H H 97 174.320 174.320 8.235 166.085 18797 410 1 1 . 1 1 98 98 TYR N N 98 122.540 122.540 124.869 -2.329 18797 411 1 1 . 1 1 98 98 TYR C C 98 175.000 175.000 173.815 1.185 18797 412 1 1 . 1 1 98 98 TYR CA C 98 57.530 57.530 56.600 0.930 18797 413 1 1 . 1 1 98 98 TYR CB C 98 38.350 38.350 39.858 -1.508 18797 414 1 1 . 1 1 98 98 TYR H H 98 8.040 8.040 7.975 0.065 18797 415 1 1 . 1 1 101 101 ASP CA C 101 54.020 54.020 55.925 -1.905 18797 416 1 1 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.329 -1.629 18797 417 1 1 . 1 1 101 101 ASP H H 101 176.040 176.040 8.114 167.926 18797 418 1 1 . 1 1 102 102 THR N N 102 117.650 117.650 115.326 2.324 18797 419 1 1 . 1 1 102 102 THR C C 102 173.840 173.840 172.997 0.843 18797 420 1 1 . 1 1 102 102 THR CA C 102 61.590 61.590 60.589 1.001 18797 421 1 1 . 1 1 102 102 THR CB C 102 69.970 69.970 70.126 -0.156 18797 422 1 1 . 1 1 102 102 THR H H 102 8.520 8.520 8.348 0.172 18797 423 1 1 . 1 1 103 103 SER N N 103 119.470 119.470 118.350 1.120 18797 424 1 1 . 1 1 103 103 SER C C 103 173.580 173.580 172.643 0.937 18797 425 1 1 . 1 1 103 103 SER CA C 103 57.310 57.310 56.872 0.438 18797 426 1 1 . 1 1 103 103 SER H H 103 8.240 8.240 8.460 -0.220 18797 427 1 1 . 1 1 104 104 ASP N N 104 122.250 122.250 123.937 -1.687 18797 428 1 1 . 1 1 104 104 ASP C C 104 173.100 173.100 173.984 -0.884 18797 429 1 1 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.785 -0.185 18797 430 1 1 . 1 1 104 104 ASP CB C 104 44.060 44.060 42.764 1.296 18797 431 1 1 . 1 1 104 104 ASP H H 104 8.270 8.270 8.120 0.150 18797 432 1 1 . 1 1 105 105 TYR N N 105 116.040 116.040 119.198 -3.158 18797 433 1 1 . 1 1 105 105 TYR C C 105 175.860 175.860 176.448 -0.588 18797 434 1 1 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.951 -1.401 18797 435 1 1 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.465 0.165 18797 436 1 1 . 1 1 105 105 TYR H H 105 8.560 8.560 8.542 0.018 18797 437 1 1 . 1 1 106 106 GLY N N 106 108.500 108.500 108.581 -0.081 18797 438 1 1 . 1 1 106 106 GLY C C 106 172.030 172.030 171.879 0.151 18797 439 1 1 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.291 0.199 18797 440 1 1 . 1 1 106 106 GLY H H 106 9.190 9.190 8.814 0.376 18797 441 1 1 . 1 1 107 107 PHE N N 107 121.420 121.420 119.316 2.104 18797 442 1 1 . 1 1 107 107 PHE C C 107 175.430 175.430 175.735 -0.305 18797 443 1 1 . 1 1 107 107 PHE CA C 107 57.540 57.540 57.328 0.213 18797 444 1 1 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.145 -0.945 18797 445 1 1 . 1 1 107 107 PHE H H 107 8.860 8.860 8.708 0.152 18797 446 1 1 . 1 1 108 108 SER N N 108 123.250 123.250 118.994 4.256 18797 447 1 1 . 1 1 108 108 SER C C 108 171.430 171.430 172.883 -1.453 18797 448 1 1 . 1 1 108 108 SER CA C 108 56.100 56.100 57.267 -1.167 18797 449 1 1 . 1 1 108 108 SER CB C 108 65.720 65.720 65.917 -0.197 18797 450 1 1 . 1 1 108 108 SER H H 108 8.110 8.110 8.803 -0.693 18797 451 1 1 . 1 1 109 109 TYR N N 109 117.840 117.840 124.941 -7.101 18797 452 1 1 . 1 1 109 109 TYR C C 109 173.560 173.560 173.616 -0.056 18797 453 1 1 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.271 -0.951 18797 454 1 1 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.845 -3.285 18797 455 1 1 . 1 1 109 109 TYR H H 109 8.480 8.480 8.550 -0.070 18797 456 1 1 . 1 1 110 110 GLY N N 110 106.400 106.400 110.718 -4.318 18797 457 1 1 . 1 1 110 110 GLY C C 110 171.350 171.350 170.839 0.511 18797 458 1 1 . 1 1 110 110 GLY CA C 110 46.160 46.160 43.595 2.565 18797 459 1 1 . 1 1 110 110 GLY H H 110 8.980 8.980 7.920 1.060 18797 460 1 1 . 1 1 111 111 ALA N N 111 119.140 119.140 120.659 -1.519 18797 461 1 1 . 1 1 111 111 ALA C C 111 174.640 174.640 175.061 -0.421 18797 462 1 1 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.050 0.920 18797 463 1 1 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.700 -0.549 18797 464 1 1 . 1 1 111 111 ALA H H 111 8.390 8.390 7.392 0.998 18797 465 1 1 . 1 1 112 112 GLY N N 112 106.070 106.070 107.231 -1.161 18797 466 1 1 . 1 1 112 112 GLY C C 112 169.770 169.770 171.534 -1.764 18797 467 1 1 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.637 0.633 18797 468 1 1 . 1 1 112 112 GLY H H 112 7.820 7.820 8.188 -0.368 18797 469 1 1 . 1 1 113 113 LEU N N 113 116.370 116.370 120.180 -3.810 18797 470 1 1 . 1 1 113 113 LEU C C 113 175.090 175.090 174.950 0.140 18797 471 1 1 . 1 1 113 113 LEU CA C 113 52.690 52.690 52.932 -0.242 18797 472 1 1 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.529 0.031 18797 473 1 1 . 1 1 113 113 LEU H H 113 8.930 8.930 8.415 0.515 18797 474 1 1 . 1 1 114 114 GLN N N 114 115.860 115.860 123.816 -7.956 18797 475 1 1 . 1 1 114 114 GLN C C 114 176.910 176.910 174.054 2.856 18797 476 1 1 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.678 -0.949 18797 477 1 1 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.739 0.551 18797 478 1 1 . 1 1 114 114 GLN H H 114 7.860 7.860 8.261 -0.401 18797 479 1 1 . 1 1 115 115 PHE N N 115 126.580 126.580 126.695 -0.115 18797 480 1 1 . 1 1 115 115 PHE C C 115 175.740 175.740 173.050 2.690 18797 481 1 1 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.421 -2.221 18797 482 1 1 . 1 1 115 115 PHE CB C 115 43.370 43.370 42.472 0.898 18797 483 1 1 . 1 1 115 115 PHE H H 115 9.750 9.750 8.640 1.110 18797 484 1 1 . 1 1 116 116 ASN N N 116 119.920 119.920 125.278 -5.358 18797 485 1 1 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.337 0.863 18797 486 1 1 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.102 0.548 18797 487 1 1 . 1 1 116 116 ASN H H 116 9.450 9.450 8.090 1.360 18797 488 1 1 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.482 2.218 18797 489 1 1 . 1 1 118 118 MET N N 118 110.530 110.530 118.648 -8.118 18797 490 1 1 . 1 1 118 118 MET C C 118 176.130 176.130 176.647 -0.517 18797 491 1 1 . 1 1 118 118 MET CA C 118 53.980 53.980 57.195 -3.215 18797 492 1 1 . 1 1 118 118 MET CB C 118 36.310 36.310 32.752 3.558 18797 493 1 1 . 1 1 118 118 MET H H 118 7.310 7.310 8.279 -0.969 18797 494 1 1 . 1 1 119 119 GLU N N 119 120.320 120.320 116.233 4.087 18797 495 1 1 . 1 1 119 119 GLU C C 119 176.810 176.810 177.174 -0.364 18797 496 1 1 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.295 2.305 18797 497 1 1 . 1 1 119 119 GLU CB C 119 29.150 29.150 28.610 0.540 18797 498 1 1 . 1 1 119 119 GLU H H 119 9.120 9.120 8.784 0.336 18797 499 1 1 . 1 1 120 120 ASN N N 120 112.490 112.490 117.891 -5.401 18797 500 1 1 . 1 1 120 120 ASN C C 120 174.080 174.080 176.278 -2.198 18797 501 1 1 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.257 -1.857 18797 502 1 1 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.042 0.788 18797 503 1 1 . 1 1 120 120 ASN H H 120 8.430 8.430 8.685 -0.255 18797 504 1 1 . 1 1 121 121 VAL N N 121 117.760 117.760 118.725 -0.965 18797 505 1 1 . 1 1 121 121 VAL C C 121 174.750 174.750 175.187 -0.437 18797 506 1 1 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.234 -1.544 18797 507 1 1 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.984 4.916 18797 508 1 1 . 1 1 121 121 VAL H H 121 7.500 7.500 7.246 0.254 18797 509 1 1 . 1 1 122 122 ALA N N 122 127.190 127.190 123.071 4.119 18797 510 1 1 . 1 1 122 122 ALA C C 122 175.140 175.140 175.368 -0.228 18797 511 1 1 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.672 -1.282 18797 512 1 1 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.478 1.342 18797 513 1 1 . 1 1 122 122 ALA H H 122 8.230 8.230 7.353 0.877 18797 514 1 1 . 1 1 123 123 LEU N N 123 120.270 120.270 123.469 -3.199 18797 515 1 1 . 1 1 123 123 LEU C C 123 174.310 174.310 175.393 -1.083 18797 516 1 1 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.278 0.382 18797 517 1 1 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.080 -1.570 18797 518 1 1 . 1 1 123 123 LEU H H 123 8.910 8.910 8.332 0.578 18797 519 1 1 . 1 1 124 124 ASP N N 124 127.350 127.350 120.980 6.370 18797 520 1 1 . 1 1 124 124 ASP C C 124 171.830 171.830 174.154 -2.324 18797 521 1 1 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.864 0.956 18797 522 1 1 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.969 2.521 18797 523 1 1 . 1 1 124 124 ASP H H 124 8.580 8.580 8.096 0.484 18797 524 1 1 . 1 1 125 125 PHE N N 125 123.390 123.390 122.746 0.644 18797 525 1 1 . 1 1 125 125 PHE C C 125 174.130 174.130 174.658 -0.528 18797 526 1 1 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.246 -0.586 18797 527 1 1 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.590 0.110 18797 528 1 1 . 1 1 125 125 PHE H H 125 8.670 8.670 8.404 0.266 18797 529 1 1 . 1 1 126 126 SER N N 126 118.680 118.680 116.040 2.640 18797 530 1 1 . 1 1 126 126 SER C C 126 169.980 169.980 172.200 -2.220 18797 531 1 1 . 1 1 126 126 SER CA C 126 58.120 58.120 57.165 0.955 18797 532 1 1 . 1 1 126 126 SER CB C 126 66.950 66.950 66.916 0.034 18797 533 1 1 . 1 1 126 126 SER H H 126 9.390 9.390 8.172 1.218 18797 534 1 1 . 1 1 127 127 TYR N N 127 119.080 119.080 119.330 -0.250 18797 535 1 1 . 1 1 127 127 TYR C C 127 174.390 174.390 173.967 0.423 18797 536 1 1 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.109 0.331 18797 537 1 1 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.746 1.354 18797 538 1 1 . 1 1 127 127 TYR H H 127 8.610 8.610 8.458 0.152 18797 539 1 1 . 1 1 128 128 GLU N N 128 130.070 130.070 122.811 7.259 18797 540 1 1 . 1 1 128 128 GLU C C 128 172.590 172.590 174.656 -2.066 18797 541 1 1 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.350 -0.220 18797 542 1 1 . 1 1 128 128 GLU CB C 128 33.500 33.500 34.031 -0.531 18797 543 1 1 . 1 1 128 128 GLU H H 128 8.510 8.510 9.006 -0.496 18797 544 1 1 . 1 1 129 129 GLN N N 129 128.670 128.670 126.916 1.754 18797 545 1 1 . 1 1 129 129 GLN C C 129 173.690 173.690 174.413 -0.723 18797 546 1 1 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.463 -1.253 18797 547 1 1 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.556 -1.506 18797 548 1 1 . 1 1 129 129 GLN H H 129 9.330 9.330 8.845 0.485 18797 549 1 1 . 1 1 130 130 SER N N 130 118.630 118.630 120.953 -2.323 18797 550 1 1 . 1 1 130 130 SER C C 130 174.210 174.210 173.818 0.392 18797 551 1 1 . 1 1 130 130 SER CA C 130 56.450 56.450 56.363 0.087 18797 552 1 1 . 1 1 130 130 SER CB C 130 66.260 66.260 64.702 1.558 18797 553 1 1 . 1 1 130 130 SER H H 130 8.580 8.580 8.236 0.344 18797 554 1 1 . 1 1 131 131 ARG N N 131 126.850 126.850 126.353 0.497 18797 555 1 1 . 1 1 131 131 ARG C C 131 174.740 174.740 176.067 -1.327 18797 556 1 1 . 1 1 131 131 ARG CA C 131 55.340 55.340 56.060 -0.720 18797 557 1 1 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.850 -0.940 18797 558 1 1 . 1 1 131 131 ARG H H 131 7.690 7.690 8.737 -1.047 18797 559 1 1 . 1 1 132 132 ILE N N 132 129.470 129.470 126.090 3.380 18797 560 1 1 . 1 1 132 132 ILE C C 132 175.500 175.500 175.379 0.121 18797 561 1 1 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.064 -2.174 18797 562 1 1 . 1 1 132 132 ILE CB C 132 38.320 38.320 38.142 0.178 18797 563 1 1 . 1 1 132 132 ILE H H 132 8.730 8.730 8.665 0.065 18797 564 1 1 . 1 1 133 133 ARG N N 133 127.220 127.220 128.708 -1.488 18797 565 1 1 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.709 2.401 18797 566 1 1 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.933 -3.612 18797 567 1 1 . 1 1 133 133 ARG H H 133 9.400 9.400 8.299 1.101 18797 568 1 1 . 1 1 134 134 SER C C 134 173.290 173.290 173.193 0.097 18797 569 1 1 . 1 1 134 134 SER CA C 134 58.490 58.490 60.110 -1.620 18797 570 1 1 . 1 1 134 134 SER CB C 134 62.860 62.860 63.289 -0.429 18797 571 1 1 . 1 1 135 135 VAL N N 135 124.810 124.810 119.735 5.075 18797 572 1 1 . 1 1 135 135 VAL C C 135 174.650 174.650 173.868 0.782 18797 573 1 1 . 1 1 135 135 VAL CA C 135 61.870 61.870 60.356 1.514 18797 574 1 1 . 1 1 135 135 VAL CB C 135 32.060 32.060 33.913 -1.853 18797 575 1 1 . 1 1 135 135 VAL H H 135 8.270 8.270 7.296 0.974 18797 576 1 1 . 1 1 136 136 ASP N N 136 127.750 127.750 128.081 -0.331 18797 577 1 1 . 1 1 136 136 ASP C C 136 175.130 175.130 175.037 0.093 18797 578 1 1 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.613 1.607 18797 579 1 1 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.572 -1.822 18797 580 1 1 . 1 1 136 136 ASP H H 136 8.010 8.010 8.342 -0.332 18797 581 1 1 . 1 1 137 137 VAL N N 137 124.520 124.520 123.396 1.124 18797 582 1 1 . 1 1 137 137 VAL C C 137 174.690 174.690 175.172 -0.482 18797 583 1 1 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.420 0.030 18797 584 1 1 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.152 -0.352 18797 585 1 1 . 1 1 137 137 VAL H H 137 8.720 8.720 7.814 0.906 18797 586 1 1 . 1 1 138 138 GLY N N 138 116.920 116.920 114.201 2.719 18797 587 1 1 . 1 1 138 138 GLY C C 138 172.930 172.930 172.832 0.098 18797 588 1 1 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.440 0.040 18797 589 1 1 . 1 1 138 138 GLY H H 138 8.240 8.240 8.603 -0.363 18797 590 1 1 . 1 1 139 139 THR N N 139 125.070 125.070 122.084 2.986 18797 591 1 1 . 1 1 139 139 THR C C 139 171.920 171.920 173.069 -1.149 18797 592 1 1 . 1 1 139 139 THR CA C 139 60.890 60.890 61.585 -0.695 18797 593 1 1 . 1 1 139 139 THR CB C 139 70.290 70.290 71.920 -1.630 18797 594 1 1 . 1 1 139 139 THR H H 139 8.710 8.710 8.585 0.125 18797 595 1 1 . 1 1 140 140 TRP N N 140 125.840 125.840 129.395 -3.555 18797 596 1 1 . 1 1 140 140 TRP C C 140 175.070 175.070 173.876 1.194 18797 597 1 1 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.690 -0.560 18797 598 1 1 . 1 1 140 140 TRP CB C 140 32.100 32.100 33.554 -1.454 18797 599 1 1 . 1 1 140 140 TRP H H 140 8.330 8.330 8.566 -0.236 18797 600 1 1 . 1 1 141 141 ILE N N 141 123.240 123.240 120.711 2.529 18797 601 1 1 . 1 1 141 141 ILE C C 141 174.870 174.870 173.346 1.524 18797 602 1 1 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.724 1.666 18797 603 1 1 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.761 -1.131 18797 604 1 1 . 1 1 141 141 ILE H H 141 8.980 8.980 8.148 0.832 18797 605 1 1 . 1 1 142 142 ALA N N 142 127.680 127.680 125.057 2.623 18797 606 1 1 . 1 1 142 142 ALA C C 142 175.700 175.700 175.789 -0.089 18797 607 1 1 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.294 0.236 18797 608 1 1 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.504 -0.294 18797 609 1 1 . 1 1 142 142 ALA H H 142 8.350 8.350 8.298 0.052 18797 610 1 1 . 1 1 143 143 GLY N N 143 109.030 109.030 109.656 -0.626 18797 611 1 1 . 1 1 143 143 GLY C C 143 172.090 172.090 171.193 0.897 18797 612 1 1 . 1 1 143 143 GLY CA C 143 45.430 45.430 43.995 1.435 18797 613 1 1 . 1 1 143 143 GLY H H 143 9.520 9.520 8.070 1.450 18797 614 1 1 . 1 1 144 144 VAL N N 144 114.110 114.110 120.586 -6.476 18797 615 1 1 . 1 1 144 144 VAL C C 144 174.010 174.010 174.107 -0.097 18797 616 1 1 . 1 1 144 144 VAL CA C 144 58.270 58.270 59.153 -0.882 18797 617 1 1 . 1 1 144 144 VAL CB C 144 35.490 35.490 35.759 -0.269 18797 618 1 1 . 1 1 144 144 VAL H H 144 8.750 8.750 8.252 0.498 18797 619 1 1 . 1 1 145 145 GLY N N 145 107.360 107.360 114.477 -7.117 18797 620 1 1 . 1 1 145 145 GLY C C 145 171.210 171.210 171.593 -0.383 18797 621 1 1 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.820 1.950 18797 622 1 1 . 1 1 145 145 GLY H H 145 8.590 8.590 8.316 0.274 18797 623 1 1 . 1 1 146 146 TYR N N 146 121.960 121.960 115.172 6.788 18797 624 1 1 . 1 1 146 146 TYR C C 146 172.440 172.440 173.426 -0.986 18797 625 1 1 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.211 0.039 18797 626 1 1 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.805 2.465 18797 627 1 1 . 1 1 146 146 TYR H H 146 8.370 8.370 7.725 0.645 18797 628 1 1 . 1 1 147 147 ARG N N 147 129.590 129.590 119.345 10.245 18797 629 1 1 . 1 1 147 147 ARG C C 147 173.850 173.850 176.077 -2.227 18797 630 1 1 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.319 -0.959 18797 631 1 1 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.502 -1.082 18797 632 1 1 . 1 1 147 147 ARG H H 147 7.690 7.690 8.080 -0.390 18797 633 1 2 . 1 1 2 2 THR N N 2 114.280 114.280 117.079 -2.799 18797 634 1 2 . 1 1 2 2 THR C C 2 173.570 173.570 173.161 0.409 18797 635 1 2 . 1 1 2 2 THR CA C 2 61.040 61.040 61.659 -0.619 18797 636 1 2 . 1 1 2 2 THR CB C 2 71.930 71.930 70.485 1.445 18797 637 1 2 . 1 1 2 2 THR H H 2 8.490 8.490 8.117 0.373 18797 638 1 2 . 1 1 3 3 SER N N 3 122.430 122.430 117.828 4.602 18797 639 1 2 . 1 1 3 3 SER C C 3 172.590 172.590 172.230 0.360 18797 640 1 2 . 1 1 3 3 SER CA C 3 56.760 56.760 56.804 -0.044 18797 641 1 2 . 1 1 3 3 SER CB C 3 65.480 65.480 65.411 0.069 18797 642 1 2 . 1 1 3 3 SER H H 3 9.000 9.000 8.426 0.574 18797 643 1 2 . 1 1 4 4 THR N N 4 117.240 117.240 115.165 2.075 18797 644 1 2 . 1 1 4 4 THR C C 4 174.640 174.640 172.436 2.204 18797 645 1 2 . 1 1 4 4 THR CA C 4 61.390 61.390 60.656 0.734 18797 646 1 2 . 1 1 4 4 THR CB C 4 70.680 70.680 70.897 -0.217 18797 647 1 2 . 1 1 4 4 THR H H 4 8.610 8.610 7.733 0.877 18797 648 1 2 . 1 1 5 5 VAL N N 5 129.440 129.440 126.085 3.355 18797 649 1 2 . 1 1 5 5 VAL C C 5 174.770 174.770 174.694 0.076 18797 650 1 2 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.455 -0.695 18797 651 1 2 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.738 -0.248 18797 652 1 2 . 1 1 5 5 VAL H H 5 8.750 8.750 7.733 1.017 18797 653 1 2 . 1 1 6 6 THR N N 6 116.430 116.430 123.240 -6.810 18797 654 1 2 . 1 1 6 6 THR C C 6 172.930 172.930 173.140 -0.210 18797 655 1 2 . 1 1 6 6 THR CA C 6 58.590 58.590 61.103 -2.513 18797 656 1 2 . 1 1 6 6 THR CB C 6 70.930 70.930 71.845 -0.915 18797 657 1 2 . 1 1 6 6 THR H H 6 8.890 8.890 7.947 0.943 18797 658 1 2 . 1 1 7 7 GLY N N 7 105.590 105.590 111.137 -5.547 18797 659 1 2 . 1 1 7 7 GLY C C 7 172.430 172.430 172.287 0.143 18797 660 1 2 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.651 0.669 18797 661 1 2 . 1 1 7 7 GLY H H 7 8.760 8.760 8.432 0.328 18797 662 1 2 . 1 1 8 8 GLY N N 8 106.530 106.530 109.863 -3.333 18797 663 1 2 . 1 1 8 8 GLY C C 8 173.030 173.030 171.673 1.357 18797 664 1 2 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.523 1.407 18797 665 1 2 . 1 1 8 8 GLY H H 8 9.100 9.100 8.104 0.996 18797 666 1 2 . 1 1 9 9 TYR N N 9 121.730 121.730 121.372 0.358 18797 667 1 2 . 1 1 9 9 TYR C C 9 172.390 172.390 173.345 -0.955 18797 668 1 2 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.083 0.757 18797 669 1 2 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.204 -1.124 18797 670 1 2 . 1 1 9 9 TYR H H 9 8.410 8.410 8.368 0.042 18797 671 1 2 . 1 1 10 10 ALA N N 10 128.460 128.460 129.004 -0.544 18797 672 1 2 . 1 1 10 10 ALA C C 10 174.020 174.020 175.426 -1.406 18797 673 1 2 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.081 -0.871 18797 674 1 2 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.167 0.053 18797 675 1 2 . 1 1 10 10 ALA H H 10 6.910 6.910 8.384 -1.474 18797 676 1 2 . 1 1 11 11 GLN N N 11 118.830 118.830 122.669 -3.839 18797 677 1 2 . 1 1 11 11 GLN C C 11 175.650 175.650 175.207 0.443 18797 678 1 2 . 1 1 11 11 GLN CA C 11 53.830 53.830 54.230 -0.400 18797 679 1 2 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.681 -0.621 18797 680 1 2 . 1 1 11 11 GLN H H 11 8.100 8.100 8.395 -0.295 18797 681 1 2 . 1 1 12 12 SER N N 12 124.200 124.200 118.817 5.383 18797 682 1 2 . 1 1 12 12 SER C C 12 172.710 172.710 173.941 -1.231 18797 683 1 2 . 1 1 12 12 SER CA C 12 57.190 57.190 55.396 1.794 18797 684 1 2 . 1 1 12 12 SER CB C 12 64.180 64.180 65.218 -1.038 18797 685 1 2 . 1 1 12 12 SER H H 12 9.160 9.160 8.465 0.695 18797 686 1 2 . 1 1 13 13 ASP N N 13 124.950 124.950 125.674 -0.724 18797 687 1 2 . 1 1 13 13 ASP C C 13 174.860 174.860 174.751 0.109 18797 688 1 2 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.831 -0.871 18797 689 1 2 . 1 1 13 13 ASP CB C 13 42.920 42.920 41.904 1.016 18797 690 1 2 . 1 1 13 13 ASP H H 13 9.070 9.070 8.078 0.992 18797 691 1 2 . 1 1 14 14 ALA N N 14 128.730 128.730 125.950 2.780 18797 692 1 2 . 1 1 14 14 ALA C C 14 176.230 176.230 177.156 -0.926 18797 693 1 2 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.507 -1.697 18797 694 1 2 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.032 -0.532 18797 695 1 2 . 1 1 14 14 ALA H H 14 8.560 8.560 8.140 0.420 18797 696 1 2 . 1 1 15 15 GLN N N 15 122.750 122.750 122.388 0.362 18797 697 1 2 . 1 1 15 15 GLN C C 15 176.660 176.660 176.859 -0.199 18797 698 1 2 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.722 2.398 18797 699 1 2 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.331 -2.171 18797 700 1 2 . 1 1 15 15 GLN H H 15 8.340 8.340 8.517 -0.177 18797 701 1 2 . 1 1 16 16 GLY N N 16 112.800 112.800 109.818 2.982 18797 702 1 2 . 1 1 16 16 GLY C C 16 174.400 174.400 174.343 0.057 18797 703 1 2 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.624 -0.444 18797 704 1 2 . 1 1 16 16 GLY H H 16 8.650 8.650 8.667 -0.017 18797 705 1 2 . 1 1 17 17 GLN N N 17 119.300 119.300 119.365 -0.065 18797 706 1 2 . 1 1 17 17 GLN C C 17 175.720 175.720 174.860 0.860 18797 707 1 2 . 1 1 17 17 GLN CA C 17 54.600 54.600 57.136 -2.536 18797 708 1 2 . 1 1 17 17 GLN CB C 17 32.800 32.800 28.631 4.169 18797 709 1 2 . 1 1 17 17 GLN H H 17 8.080 8.080 8.755 -0.675 18797 710 1 2 . 1 1 18 18 MET N N 18 120.170 120.170 116.484 3.686 18797 711 1 2 . 1 1 18 18 MET C C 18 175.400 175.400 174.560 0.840 18797 712 1 2 . 1 1 18 18 MET CA C 18 55.980 55.980 53.558 2.422 18797 713 1 2 . 1 1 18 18 MET CB C 18 35.590 35.590 35.003 0.587 18797 714 1 2 . 1 1 18 18 MET H H 18 8.370 8.370 7.780 0.590 18797 715 1 2 . 1 1 19 19 ASN N N 19 117.900 117.900 118.167 -0.267 18797 716 1 2 . 1 1 19 19 ASN C C 19 174.400 174.400 174.475 -0.075 18797 717 1 2 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.267 0.033 18797 718 1 2 . 1 1 19 19 ASN CB C 19 39.400 39.400 40.170 -0.770 18797 719 1 2 . 1 1 19 19 ASN H H 19 7.990 7.990 8.399 -0.409 18797 720 1 2 . 1 1 20 20 LYS N N 20 120.800 120.800 118.489 2.311 18797 721 1 2 . 1 1 20 20 LYS C C 20 176.410 176.410 176.096 0.314 18797 722 1 2 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.204 -0.504 18797 723 1 2 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.810 -1.910 18797 724 1 2 . 1 1 20 20 LYS H H 20 8.340 8.340 8.291 0.049 18797 725 1 2 . 1 1 21 21 MET N N 21 120.500 120.500 117.469 3.031 18797 726 1 2 . 1 1 21 21 MET C C 21 175.270 175.270 175.329 -0.059 18797 727 1 2 . 1 1 21 21 MET CA C 21 54.800 54.800 53.386 1.415 18797 728 1 2 . 1 1 21 21 MET CB C 21 34.730 34.730 36.522 -1.792 18797 729 1 2 . 1 1 21 21 MET H H 21 8.580 8.580 7.914 0.666 18797 730 1 2 . 1 1 22 22 GLY N N 22 111.280 111.280 107.580 3.700 18797 731 1 2 . 1 1 22 22 GLY C C 22 174.030 174.030 172.144 1.886 18797 732 1 2 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.846 -0.036 18797 733 1 2 . 1 1 22 22 GLY H H 22 8.430 8.430 8.376 0.054 18797 734 1 2 . 1 1 23 23 GLY N N 23 120.170 120.170 108.757 11.413 18797 735 1 2 . 1 1 23 23 GLY C C 23 171.850 171.850 171.836 0.014 18797 736 1 2 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.840 2.311 18797 737 1 2 . 1 1 23 23 GLY H H 23 8.180 8.180 7.631 0.549 18797 738 1 2 . 1 1 24 24 PHE N N 24 121.370 121.370 120.934 0.436 18797 739 1 2 . 1 1 24 24 PHE C C 24 171.570 171.570 174.742 -3.172 18797 740 1 2 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.685 -1.955 18797 741 1 2 . 1 1 24 24 PHE CB C 24 43.510 43.510 41.501 2.009 18797 742 1 2 . 1 1 24 24 PHE H H 24 9.230 9.230 8.482 0.748 18797 743 1 2 . 1 1 25 25 ASN N N 25 118.950 118.950 120.986 -2.036 18797 744 1 2 . 1 1 25 25 ASN C C 25 172.080 172.080 173.674 -1.594 18797 745 1 2 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.010 -1.139 18797 746 1 2 . 1 1 25 25 ASN CB C 25 46.450 46.450 41.540 4.910 18797 747 1 2 . 1 1 25 25 ASN H H 25 8.520 8.520 8.541 -0.021 18797 748 1 2 . 1 1 26 26 LEU N N 26 126.150 126.150 124.586 1.564 18797 749 1 2 . 1 1 26 26 LEU C C 26 175.620 175.620 174.457 1.163 18797 750 1 2 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.282 0.208 18797 751 1 2 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.222 1.408 18797 752 1 2 . 1 1 26 26 LEU H H 26 9.340 9.340 7.699 1.641 18797 753 1 2 . 1 1 27 27 LYS N N 27 117.980 117.980 123.197 -5.217 18797 754 1 2 . 1 1 27 27 LYS C C 27 175.120 175.120 175.148 -0.028 18797 755 1 2 . 1 1 27 27 LYS CA C 27 55.190 55.190 53.407 1.783 18797 756 1 2 . 1 1 27 27 LYS CB C 27 36.570 36.570 35.032 1.538 18797 757 1 2 . 1 1 27 27 LYS H H 27 8.850 8.850 8.285 0.565 18797 758 1 2 . 1 1 28 28 TYR N N 28 120.820 120.820 123.739 -2.919 18797 759 1 2 . 1 1 28 28 TYR C C 28 172.480 172.480 173.378 -0.898 18797 760 1 2 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.843 -0.563 18797 761 1 2 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.770 -0.870 18797 762 1 2 . 1 1 28 28 TYR H H 28 8.430 8.430 8.816 -0.386 18797 763 1 2 . 1 1 29 29 ARG N N 29 129.660 129.660 127.583 2.077 18797 764 1 2 . 1 1 29 29 ARG C C 29 172.780 172.780 173.748 -0.968 18797 765 1 2 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.024 -1.024 18797 766 1 2 . 1 1 29 29 ARG CB C 29 34.010 34.010 35.109 -1.099 18797 767 1 2 . 1 1 29 29 ARG H H 29 8.670 8.670 7.775 0.895 18797 768 1 2 . 1 1 30 30 TYR N N 30 127.210 127.210 125.094 2.116 18797 769 1 2 . 1 1 30 30 TYR C C 30 175.000 175.000 174.460 0.540 18797 770 1 2 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.752 0.078 18797 771 1 2 . 1 1 30 30 TYR CB C 30 42.140 42.140 42.358 -0.219 18797 772 1 2 . 1 1 30 30 TYR H H 30 8.930 8.930 8.483 0.447 18797 773 1 2 . 1 1 31 31 GLU N N 31 128.090 128.090 126.457 1.633 18797 774 1 2 . 1 1 31 31 GLU C C 31 174.250 174.250 175.403 -1.153 18797 775 1 2 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.825 -1.195 18797 776 1 2 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.928 1.562 18797 777 1 2 . 1 1 31 31 GLU H H 31 8.170 8.170 7.652 0.518 18797 778 1 2 . 1 1 32 32 GLU N N 32 122.610 122.610 124.228 -1.618 18797 779 1 2 . 1 1 32 32 GLU C C 32 176.920 176.920 175.625 1.295 18797 780 1 2 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.070 -0.500 18797 781 1 2 . 1 1 32 32 GLU CB C 32 30.770 30.770 33.577 -2.807 18797 782 1 2 . 1 1 32 32 GLU H H 32 9.120 9.120 8.550 0.570 18797 783 1 2 . 1 1 33 33 ASP N N 33 121.920 121.920 122.495 -0.575 18797 784 1 2 . 1 1 33 33 ASP C C 33 176.990 176.990 176.528 0.462 18797 785 1 2 . 1 1 33 33 ASP CA C 33 55.870 55.870 54.248 1.622 18797 786 1 2 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.941 -1.671 18797 787 1 2 . 1 1 33 33 ASP H H 33 8.600 8.600 8.590 0.010 18797 788 1 2 . 1 1 34 34 ASN N N 34 115.300 115.300 117.190 -1.890 18797 789 1 2 . 1 1 34 34 ASN C C 34 174.280 174.280 176.144 -1.864 18797 790 1 2 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.299 -1.939 18797 791 1 2 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.688 -0.738 18797 792 1 2 . 1 1 34 34 ASN H H 34 8.420 8.420 8.559 -0.139 18797 793 1 2 . 1 1 35 35 SER N N 35 112.970 112.970 113.624 -0.654 18797 794 1 2 . 1 1 35 35 SER CA C 35 54.260 54.260 58.309 -4.049 18797 795 1 2 . 1 1 35 35 SER CB C 35 64.920 64.920 63.355 1.565 18797 796 1 2 . 1 1 35 35 SER H H 35 7.270 7.270 7.989 -0.719 18797 797 1 2 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.039 1.321 18797 798 1 2 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.945 -1.475 18797 799 1 2 . 1 1 37 37 LEU N N 37 123.000 123.000 122.166 0.834 18797 800 1 2 . 1 1 37 37 LEU C C 37 176.300 176.300 177.482 -1.182 18797 801 1 2 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.400 -0.560 18797 802 1 2 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.541 1.149 18797 803 1 2 . 1 1 37 37 LEU H H 37 7.910 7.910 8.304 -0.394 18797 804 1 2 . 1 1 38 38 GLY N N 38 117.320 117.320 108.929 8.391 18797 805 1 2 . 1 1 38 38 GLY C C 38 172.340 172.340 173.174 -0.834 18797 806 1 2 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.205 0.225 18797 807 1 2 . 1 1 38 38 GLY H H 38 9.110 9.110 7.972 1.138 18797 808 1 2 . 1 1 39 39 VAL N N 39 116.550 116.550 121.230 -4.680 18797 809 1 2 . 1 1 39 39 VAL C C 39 171.720 171.720 174.631 -2.911 18797 810 1 2 . 1 1 39 39 VAL CA C 39 59.000 59.000 60.828 -1.828 18797 811 1 2 . 1 1 39 39 VAL CB C 39 35.610 35.610 33.185 2.425 18797 812 1 2 . 1 1 39 39 VAL H H 39 7.980 7.980 7.944 0.036 18797 813 1 2 . 1 1 40 40 ILE N N 40 125.640 125.640 127.048 -1.408 18797 814 1 2 . 1 1 40 40 ILE C C 40 171.600 171.600 174.327 -2.727 18797 815 1 2 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.362 0.178 18797 816 1 2 . 1 1 40 40 ILE CB C 40 44.130 44.130 42.209 1.921 18797 817 1 2 . 1 1 40 40 ILE H H 40 9.160 9.160 8.272 0.888 18797 818 1 2 . 1 1 41 41 GLY N N 41 111.830 111.830 114.240 -2.410 18797 819 1 2 . 1 1 41 41 GLY C C 41 172.000 172.000 171.869 0.131 18797 820 1 2 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.593 -1.443 18797 821 1 2 . 1 1 41 41 GLY H H 41 8.930 8.930 8.802 0.128 18797 822 1 2 . 1 1 42 42 SER N N 42 116.940 116.940 116.630 0.310 18797 823 1 2 . 1 1 42 42 SER C C 42 172.100 172.100 172.999 -0.899 18797 824 1 2 . 1 1 42 42 SER CA C 42 56.220 56.220 56.345 -0.125 18797 825 1 2 . 1 1 42 42 SER CB C 42 62.920 62.920 66.962 -4.042 18797 826 1 2 . 1 1 42 42 SER H H 42 9.190 9.190 8.525 0.665 18797 827 1 2 . 1 1 43 43 PHE N N 43 129.230 129.230 116.682 12.548 18797 828 1 2 . 1 1 43 43 PHE C C 43 172.920 172.920 174.252 -1.332 18797 829 1 2 . 1 1 43 43 PHE CA C 43 55.960 55.960 55.419 0.541 18797 830 1 2 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.053 0.377 18797 831 1 2 . 1 1 43 43 PHE H H 43 9.300 9.300 7.829 1.471 18797 832 1 2 . 1 1 44 44 THR N N 44 126.530 126.530 117.186 9.344 18797 833 1 2 . 1 1 44 44 THR C C 44 171.340 171.340 173.269 -1.929 18797 834 1 2 . 1 1 44 44 THR CA C 44 60.410 60.410 60.970 -0.560 18797 835 1 2 . 1 1 44 44 THR CB C 44 70.220 70.220 71.552 -1.332 18797 836 1 2 . 1 1 44 44 THR H H 44 8.820 8.820 8.187 0.633 18797 837 1 2 . 1 1 45 45 TYR N N 45 125.840 125.840 125.437 0.403 18797 838 1 2 . 1 1 45 45 TYR C C 45 174.000 174.000 175.740 -1.740 18797 839 1 2 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.610 -0.940 18797 840 1 2 . 1 1 45 45 TYR CB C 45 41.000 41.000 41.678 -0.679 18797 841 1 2 . 1 1 45 45 TYR H H 45 8.210 8.210 8.558 -0.348 18797 842 1 2 . 1 1 46 46 THR N N 46 117.670 117.670 120.692 -3.022 18797 843 1 2 . 1 1 46 46 THR C C 46 171.910 171.910 174.405 -2.495 18797 844 1 2 . 1 1 46 46 THR CA C 46 58.720 58.720 61.180 -2.460 18797 845 1 2 . 1 1 46 46 THR CB C 46 71.710 71.710 70.682 1.028 18797 846 1 2 . 1 1 46 46 THR H H 46 8.550 8.550 8.757 -0.207 18797 847 1 2 . 1 1 47 47 GLU N N 47 112.160 112.160 123.182 -11.022 18797 848 1 2 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.871 -0.291 18797 849 1 2 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.432 -1.762 18797 850 1 2 . 1 1 47 47 GLU H H 47 8.170 8.170 9.027 -0.857 18797 851 1 2 . 1 1 49 49 SER CA C 49 58.210 58.210 60.504 -2.294 18797 852 1 2 . 1 1 49 49 SER CB C 49 64.070 64.070 62.456 1.613 18797 853 1 2 . 1 1 49 49 SER H H 49 174.130 174.130 9.046 165.084 18797 854 1 2 . 1 1 50 50 ARG N N 50 124.000 124.000 123.275 0.725 18797 855 1 2 . 1 1 50 50 ARG C C 50 176.270 176.270 174.161 2.109 18797 856 1 2 . 1 1 50 50 ARG CA C 50 55.960 55.960 57.144 -1.184 18797 857 1 2 . 1 1 50 50 ARG CB C 50 30.980 30.980 29.283 1.697 18797 858 1 2 . 1 1 50 50 ARG H H 50 8.600 8.600 8.404 0.196 18797 859 1 2 . 1 1 51 51 THR N N 51 115.720 115.720 114.856 0.864 18797 860 1 2 . 1 1 51 51 THR C C 51 174.400 174.400 174.027 0.373 18797 861 1 2 . 1 1 51 51 THR CA C 51 61.820 61.820 61.851 -0.031 18797 862 1 2 . 1 1 51 51 THR H H 51 8.240 8.240 7.962 0.278 18797 863 1 2 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.643 -0.643 18797 864 1 2 . 1 1 52 52 ALA CB C 52 18.800 18.800 18.222 0.578 18797 865 1 2 . 1 1 52 52 ALA H H 52 175.230 175.230 8.534 166.696 18797 866 1 2 . 1 1 53 53 SER N N 53 113.990 113.990 118.671 -4.681 18797 867 1 2 . 1 1 53 53 SER C C 53 175.360 175.360 175.591 -0.231 18797 868 1 2 . 1 1 53 53 SER CA C 53 58.350 58.350 57.647 0.703 18797 869 1 2 . 1 1 53 53 SER CB C 53 62.930 62.930 65.218 -2.288 18797 870 1 2 . 1 1 53 53 SER H H 53 8.000 8.000 7.975 0.025 18797 871 1 2 . 1 1 54 54 SER N N 54 113.510 113.510 121.973 -8.463 18797 872 1 2 . 1 1 54 54 SER C C 54 173.880 173.880 175.652 -1.772 18797 873 1 2 . 1 1 54 54 SER CA C 54 58.500 58.500 60.240 -1.740 18797 874 1 2 . 1 1 54 54 SER CB C 54 62.960 62.960 63.106 -0.146 18797 875 1 2 . 1 1 54 54 SER H H 54 8.050 8.050 8.833 -0.783 18797 876 1 2 . 1 1 55 55 GLY N N 55 112.640 112.640 107.755 4.885 18797 877 1 2 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.627 -0.427 18797 878 1 2 . 1 1 55 55 GLY H H 55 8.140 8.140 7.426 0.714 18797 879 1 2 . 1 1 56 56 ASP CA C 56 54.100 54.100 54.815 -0.715 18797 880 1 2 . 1 1 56 56 ASP CB C 56 41.000 41.000 38.458 2.542 18797 881 1 2 . 1 1 56 56 ASP H H 56 175.600 175.600 7.628 167.972 18797 882 1 2 . 1 1 57 57 TYR N N 57 121.140 121.140 115.902 5.238 18797 883 1 2 . 1 1 57 57 TYR CA C 57 57.280 57.280 61.064 -3.784 18797 884 1 2 . 1 1 57 57 TYR CB C 57 38.400 38.400 38.268 0.132 18797 885 1 2 . 1 1 57 57 TYR H H 57 8.150 8.150 8.401 -0.251 18797 886 1 2 . 1 1 59 59 LYS CA C 59 55.410 55.410 57.144 -1.734 18797 887 1 2 . 1 1 59 59 LYS CB C 59 34.220 34.220 34.352 -0.132 18797 888 1 2 . 1 1 60 60 ASN N N 60 122.740 122.740 118.106 4.634 18797 889 1 2 . 1 1 60 60 ASN C C 60 175.260 175.260 174.724 0.536 18797 890 1 2 . 1 1 60 60 ASN CA C 60 52.200 52.200 52.820 -0.620 18797 891 1 2 . 1 1 60 60 ASN CB C 60 40.230 40.230 40.029 0.201 18797 892 1 2 . 1 1 60 60 ASN H H 60 8.360 8.360 8.220 0.140 18797 893 1 2 . 1 1 61 61 GLN N N 61 120.450 120.450 120.926 -0.476 18797 894 1 2 . 1 1 61 61 GLN C C 61 172.500 172.500 173.895 -1.395 18797 895 1 2 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.501 0.239 18797 896 1 2 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.344 1.496 18797 897 1 2 . 1 1 61 61 GLN H H 61 8.530 8.530 8.153 0.377 18797 898 1 2 . 1 1 62 62 TYR N N 62 123.620 123.620 119.405 4.215 18797 899 1 2 . 1 1 62 62 TYR C C 62 171.430 171.430 174.726 -3.296 18797 900 1 2 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.978 0.862 18797 901 1 2 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.874 -1.944 18797 902 1 2 . 1 1 62 62 TYR H H 62 8.610 8.610 8.536 0.074 18797 903 1 2 . 1 1 63 63 TYR N N 63 123.920 123.920 122.931 0.989 18797 904 1 2 . 1 1 63 63 TYR C C 63 174.280 174.280 173.640 0.640 18797 905 1 2 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.557 -0.977 18797 906 1 2 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.542 -1.222 18797 907 1 2 . 1 1 63 63 TYR H H 63 8.400 8.400 8.335 0.065 18797 908 1 2 . 1 1 64 64 GLY N N 64 107.510 107.510 113.013 -5.503 18797 909 1 2 . 1 1 64 64 GLY C C 64 174.090 174.090 171.500 2.590 18797 910 1 2 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.859 0.711 18797 911 1 2 . 1 1 64 64 GLY H H 64 8.760 8.760 7.790 0.970 18797 912 1 2 . 1 1 65 65 ILE N N 65 128.470 128.470 122.962 5.508 18797 913 1 2 . 1 1 65 65 ILE C C 65 174.350 174.350 174.839 -0.489 18797 914 1 2 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.753 0.207 18797 915 1 2 . 1 1 65 65 ILE CB C 65 39.740 39.740 41.296 -1.556 18797 916 1 2 . 1 1 65 65 ILE H H 65 8.900 8.900 8.213 0.687 18797 917 1 2 . 1 1 66 66 THR N N 66 115.890 115.890 118.499 -2.609 18797 918 1 2 . 1 1 66 66 THR C C 66 172.600 172.600 173.159 -0.559 18797 919 1 2 . 1 1 66 66 THR CA C 66 58.670 58.670 59.192 -0.522 18797 920 1 2 . 1 1 66 66 THR CB C 66 73.100 73.100 71.590 1.510 18797 921 1 2 . 1 1 66 66 THR H H 66 8.900 8.900 8.626 0.274 18797 922 1 2 . 1 1 67 67 ALA N N 67 119.730 119.730 122.743 -3.013 18797 923 1 2 . 1 1 67 67 ALA C C 67 176.670 176.670 175.438 1.232 18797 924 1 2 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.611 0.889 18797 925 1 2 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.613 -0.553 18797 926 1 2 . 1 1 67 67 ALA H H 67 9.370 9.370 8.479 0.891 18797 927 1 2 . 1 1 68 68 GLY N N 68 104.240 104.240 106.599 -2.359 18797 928 1 2 . 1 1 68 68 GLY CA C 68 45.920 45.920 43.978 1.942 18797 929 1 2 . 1 1 68 68 GLY H H 68 8.900 8.900 8.285 0.615 18797 930 1 2 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.096 -0.056 18797 931 1 2 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.511 0.179 18797 932 1 2 . 1 1 70 70 ALA N N 70 120.220 120.220 126.790 -6.570 18797 933 1 2 . 1 1 70 70 ALA C C 70 175.590 175.590 175.927 -0.337 18797 934 1 2 . 1 1 70 70 ALA CA C 70 49.490 49.490 50.612 -1.122 18797 935 1 2 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.294 0.686 18797 936 1 2 . 1 1 70 70 ALA H H 70 7.870 7.870 8.516 -0.646 18797 937 1 2 . 1 1 71 71 TYR N N 71 126.080 126.080 122.444 3.636 18797 938 1 2 . 1 1 71 71 TYR C C 71 174.090 174.090 175.167 -1.077 18797 939 1 2 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.976 -0.856 18797 940 1 2 . 1 1 71 71 TYR CB C 71 41.920 41.920 41.470 0.450 18797 941 1 2 . 1 1 71 71 TYR H H 71 9.780 9.780 8.321 1.459 18797 942 1 2 . 1 1 72 72 ARG N N 72 131.410 131.410 124.341 7.069 18797 943 1 2 . 1 1 72 72 ARG C C 72 174.160 174.160 174.990 -0.830 18797 944 1 2 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.418 0.602 18797 945 1 2 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.854 -1.234 18797 946 1 2 . 1 1 72 72 ARG H H 72 8.770 8.770 8.585 0.185 18797 947 1 2 . 1 1 73 73 ILE N N 73 129.550 129.550 125.223 4.327 18797 948 1 2 . 1 1 73 73 ILE C C 73 175.730 175.730 176.499 -0.769 18797 949 1 2 . 1 1 73 73 ILE CA C 73 62.950 62.950 59.070 3.880 18797 950 1 2 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.009 0.501 18797 951 1 2 . 1 1 73 73 ILE H H 73 8.400 8.400 7.947 0.453 18797 952 1 2 . 1 1 74 74 ASN N N 74 114.870 114.870 125.652 -10.782 18797 953 1 2 . 1 1 74 74 ASN C C 74 174.860 174.860 175.281 -0.421 18797 954 1 2 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.046 -3.216 18797 955 1 2 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.782 -1.942 18797 956 1 2 . 1 1 74 74 ASN H H 74 7.920 7.920 8.729 -0.809 18797 957 1 2 . 1 1 75 75 ASP N N 75 113.980 113.980 119.302 -5.322 18797 958 1 2 . 1 1 75 75 ASP C C 75 175.820 175.820 177.645 -1.825 18797 959 1 2 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.653 3.267 18797 960 1 2 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.185 -0.955 18797 961 1 2 . 1 1 75 75 ASP H H 75 8.320 8.320 7.960 0.360 18797 962 1 2 . 1 1 76 76 TRP N N 76 113.600 113.600 118.580 -4.980 18797 963 1 2 . 1 1 76 76 TRP C C 76 176.310 176.310 174.795 1.515 18797 964 1 2 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.130 -0.720 18797 965 1 2 . 1 1 76 76 TRP CB C 76 31.160 31.160 27.444 3.716 18797 966 1 2 . 1 1 76 76 TRP H H 76 7.970 7.970 8.663 -0.693 18797 967 1 2 . 1 1 77 77 ALA N N 77 125.520 125.520 122.492 3.028 18797 968 1 2 . 1 1 77 77 ALA C C 77 175.620 175.620 176.846 -1.226 18797 969 1 2 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.159 0.911 18797 970 1 2 . 1 1 77 77 ALA CB C 77 21.140 21.140 18.758 2.382 18797 971 1 2 . 1 1 77 77 ALA H H 77 7.740 7.740 7.471 0.269 18797 972 1 2 . 1 1 78 78 SER N N 78 114.140 114.140 116.282 -2.142 18797 973 1 2 . 1 1 78 78 SER C C 78 170.060 170.060 173.256 -3.196 18797 974 1 2 . 1 1 78 78 SER CA C 78 57.250 57.250 59.209 -1.959 18797 975 1 2 . 1 1 78 78 SER CB C 78 65.320 65.320 64.437 0.883 18797 976 1 2 . 1 1 78 78 SER H H 78 8.100 8.100 7.710 0.390 18797 977 1 2 . 1 1 79 79 ILE N N 79 120.650 120.650 125.464 -4.814 18797 978 1 2 . 1 1 79 79 ILE C C 79 172.470 172.470 173.556 -1.086 18797 979 1 2 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.492 -1.042 18797 980 1 2 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.825 0.275 18797 981 1 2 . 1 1 79 79 ILE H H 79 8.960 8.960 7.872 1.088 18797 982 1 2 . 1 1 80 80 TYR N N 80 120.580 120.580 127.896 -7.316 18797 983 1 2 . 1 1 80 80 TYR C C 80 173.000 173.000 175.164 -2.164 18797 984 1 2 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.826 0.154 18797 985 1 2 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.560 -0.530 18797 986 1 2 . 1 1 80 80 TYR H H 80 8.360 8.360 8.737 -0.377 18797 987 1 2 . 1 1 81 81 GLY N N 81 106.140 106.140 109.597 -3.457 18797 988 1 2 . 1 1 81 81 GLY C C 81 170.920 170.920 172.022 -1.102 18797 989 1 2 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.801 0.199 18797 990 1 2 . 1 1 81 81 GLY H H 81 8.050 8.050 8.258 -0.208 18797 991 1 2 . 1 1 82 82 VAL N N 82 111.380 111.380 117.709 -6.329 18797 992 1 2 . 1 1 82 82 VAL C C 82 174.370 174.370 173.281 1.089 18797 993 1 2 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.352 -1.172 18797 994 1 2 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.558 -0.118 18797 995 1 2 . 1 1 82 82 VAL H H 82 8.490 8.490 8.122 0.368 18797 996 1 2 . 1 1 83 83 VAL N N 83 113.660 113.660 122.104 -8.444 18797 997 1 2 . 1 1 83 83 VAL C C 83 174.680 174.680 174.379 0.301 18797 998 1 2 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.626 -0.536 18797 999 1 2 . 1 1 83 83 VAL CB C 83 36.020 36.020 36.281 -0.261 18797 1000 1 2 . 1 1 83 83 VAL H H 83 8.970 8.970 8.248 0.722 18797 1001 1 2 . 1 1 84 84 GLY N N 84 108.310 108.310 114.089 -5.779 18797 1002 1 2 . 1 1 84 84 GLY C C 84 171.440 171.440 172.143 -0.703 18797 1003 1 2 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.532 2.238 18797 1004 1 2 . 1 1 84 84 GLY H H 84 8.480 8.480 8.833 -0.353 18797 1005 1 2 . 1 1 85 85 VAL N N 85 122.520 122.520 119.497 3.023 18797 1006 1 2 . 1 1 85 85 VAL C C 85 172.560 172.560 175.087 -2.527 18797 1007 1 2 . 1 1 85 85 VAL CA C 85 59.170 59.170 60.465 -1.295 18797 1008 1 2 . 1 1 85 85 VAL CB C 85 35.810 35.810 33.785 2.025 18797 1009 1 2 . 1 1 85 85 VAL H H 85 8.920 8.920 8.145 0.775 18797 1010 1 2 . 1 1 86 86 GLY N N 86 113.360 113.360 114.896 -1.536 18797 1011 1 2 . 1 1 86 86 GLY C C 86 172.210 172.210 171.986 0.224 18797 1012 1 2 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.864 -0.584 18797 1013 1 2 . 1 1 86 86 GLY H H 86 8.880 8.880 8.690 0.190 18797 1014 1 2 . 1 1 87 87 TYR N N 87 123.830 123.830 119.502 4.328 18797 1015 1 2 . 1 1 87 87 TYR C C 87 174.030 174.030 173.703 0.327 18797 1016 1 2 . 1 1 87 87 TYR CA C 87 55.930 55.930 54.968 0.962 18797 1017 1 2 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.483 0.547 18797 1018 1 2 . 1 1 87 87 TYR H H 87 9.310 9.310 8.615 0.695 18797 1019 1 2 . 1 1 88 88 GLY N N 88 112.300 112.300 107.295 5.005 18797 1020 1 2 . 1 1 88 88 GLY C C 88 170.620 170.620 172.018 -1.398 18797 1021 1 2 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.798 0.602 18797 1022 1 2 . 1 1 88 88 GLY H H 88 8.000 8.000 8.309 -0.309 18797 1023 1 2 . 1 1 89 89 LYS N N 89 122.410 122.410 121.476 0.934 18797 1024 1 2 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.149 0.331 18797 1025 1 2 . 1 1 89 89 LYS H H 89 8.230 8.230 8.103 0.127 18797 1026 1 2 . 1 1 90 90 PHE C C 90 175.190 175.190 174.877 0.313 18797 1027 1 2 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.752 -1.722 18797 1028 1 2 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.151 -0.641 18797 1029 1 2 . 1 1 91 91 GLN N N 91 122.380 122.380 127.489 -5.109 18797 1030 1 2 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.865 0.465 18797 1031 1 2 . 1 1 91 91 GLN CB C 91 29.700 29.700 30.756 -1.056 18797 1032 1 2 . 1 1 91 91 GLN H H 91 8.370 8.370 7.565 0.805 18797 1033 1 2 . 1 1 94 94 GLU N N 94 175.780 175.780 122.860 52.920 18797 1034 1 2 . 1 1 94 94 GLU CA C 94 57.030 57.030 58.544 -1.514 18797 1035 1 2 . 1 1 94 94 GLU CB C 94 29.460 29.460 30.117 -0.657 18797 1036 1 2 . 1 1 95 95 TYR N N 95 120.240 120.240 115.949 4.291 18797 1037 1 2 . 1 1 95 95 TYR CA C 95 55.290 55.290 55.796 -0.506 18797 1038 1 2 . 1 1 95 95 TYR CB C 95 37.730 37.730 40.896 -3.166 18797 1039 1 2 . 1 1 95 95 TYR H H 95 7.830 7.830 7.785 0.045 18797 1040 1 2 . 1 1 97 97 THR CA C 97 62.210 62.210 60.771 1.439 18797 1041 1 2 . 1 1 97 97 THR H H 97 174.320 174.320 7.968 166.352 18797 1042 1 2 . 1 1 98 98 TYR N N 98 122.540 122.540 122.768 -0.228 18797 1043 1 2 . 1 1 98 98 TYR C C 98 175.000 175.000 176.129 -1.129 18797 1044 1 2 . 1 1 98 98 TYR CA C 98 57.530 57.530 59.994 -2.464 18797 1045 1 2 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.880 -0.530 18797 1046 1 2 . 1 1 98 98 TYR H H 98 8.040 8.040 8.605 -0.565 18797 1047 1 2 . 1 1 101 101 ASP CA C 101 54.020 54.020 55.244 -1.224 18797 1048 1 2 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.244 -1.544 18797 1049 1 2 . 1 1 101 101 ASP H H 101 176.040 176.040 8.396 167.644 18797 1050 1 2 . 1 1 102 102 THR N N 102 117.650 117.650 111.329 6.321 18797 1051 1 2 . 1 1 102 102 THR C C 102 173.840 173.840 173.277 0.563 18797 1052 1 2 . 1 1 102 102 THR CA C 102 61.590 61.590 63.001 -1.411 18797 1053 1 2 . 1 1 102 102 THR CB C 102 69.970 69.970 69.403 0.567 18797 1054 1 2 . 1 1 102 102 THR H H 102 8.520 8.520 6.936 1.584 18797 1055 1 2 . 1 1 103 103 SER N N 103 119.470 119.470 117.193 2.277 18797 1056 1 2 . 1 1 103 103 SER C C 103 173.580 173.580 173.288 0.292 18797 1057 1 2 . 1 1 103 103 SER CA C 103 57.310 57.310 58.035 -0.725 18797 1058 1 2 . 1 1 103 103 SER H H 103 8.240 8.240 8.430 -0.190 18797 1059 1 2 . 1 1 104 104 ASP N N 104 122.250 122.250 127.454 -5.204 18797 1060 1 2 . 1 1 104 104 ASP C C 104 173.100 173.100 174.459 -1.359 18797 1061 1 2 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.426 0.174 18797 1062 1 2 . 1 1 104 104 ASP CB C 104 44.060 44.060 44.050 0.010 18797 1063 1 2 . 1 1 104 104 ASP H H 104 8.270 8.270 8.008 0.262 18797 1064 1 2 . 1 1 105 105 TYR N N 105 116.040 116.040 119.819 -3.779 18797 1065 1 2 . 1 1 105 105 TYR C C 105 175.860 175.860 176.940 -1.080 18797 1066 1 2 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.721 -1.171 18797 1067 1 2 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.472 0.158 18797 1068 1 2 . 1 1 105 105 TYR H H 105 8.560 8.560 8.535 0.025 18797 1069 1 2 . 1 1 106 106 GLY N N 106 108.500 108.500 108.157 0.343 18797 1070 1 2 . 1 1 106 106 GLY C C 106 172.030 172.030 171.566 0.464 18797 1071 1 2 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.317 0.173 18797 1072 1 2 . 1 1 106 106 GLY H H 106 9.190 9.190 8.868 0.322 18797 1073 1 2 . 1 1 107 107 PHE N N 107 121.420 121.420 118.999 2.421 18797 1074 1 2 . 1 1 107 107 PHE C C 107 175.430 175.430 175.468 -0.038 18797 1075 1 2 . 1 1 107 107 PHE CA C 107 57.540 57.540 57.104 0.436 18797 1076 1 2 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.283 -1.083 18797 1077 1 2 . 1 1 107 107 PHE H H 107 8.860 8.860 8.651 0.209 18797 1078 1 2 . 1 1 108 108 SER N N 108 123.250 123.250 118.671 4.579 18797 1079 1 2 . 1 1 108 108 SER C C 108 171.430 171.430 172.804 -1.374 18797 1080 1 2 . 1 1 108 108 SER CA C 108 56.100 56.100 57.116 -1.016 18797 1081 1 2 . 1 1 108 108 SER CB C 108 65.720 65.720 65.662 0.058 18797 1082 1 2 . 1 1 108 108 SER H H 108 8.110 8.110 8.696 -0.586 18797 1083 1 2 . 1 1 109 109 TYR N N 109 117.840 117.840 125.423 -7.583 18797 1084 1 2 . 1 1 109 109 TYR C C 109 173.560 173.560 173.590 -0.030 18797 1085 1 2 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.586 -1.266 18797 1086 1 2 . 1 1 109 109 TYR CB C 109 39.560 39.560 43.016 -3.456 18797 1087 1 2 . 1 1 109 109 TYR H H 109 8.480 8.480 8.380 0.100 18797 1088 1 2 . 1 1 110 110 GLY N N 110 106.400 106.400 109.729 -3.329 18797 1089 1 2 . 1 1 110 110 GLY C C 110 171.350 171.350 170.873 0.477 18797 1090 1 2 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.317 1.843 18797 1091 1 2 . 1 1 110 110 GLY H H 110 8.980 8.980 7.681 1.299 18797 1092 1 2 . 1 1 111 111 ALA N N 111 119.140 119.140 119.618 -0.478 18797 1093 1 2 . 1 1 111 111 ALA C C 111 174.640 174.640 174.990 -0.350 18797 1094 1 2 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.622 0.348 18797 1095 1 2 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.707 -0.557 18797 1096 1 2 . 1 1 111 111 ALA H H 111 8.390 8.390 7.503 0.887 18797 1097 1 2 . 1 1 112 112 GLY N N 112 106.070 106.070 107.049 -0.979 18797 1098 1 2 . 1 1 112 112 GLY C C 112 169.770 169.770 172.034 -2.264 18797 1099 1 2 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.578 0.692 18797 1100 1 2 . 1 1 112 112 GLY H H 112 7.820 7.820 8.321 -0.501 18797 1101 1 2 . 1 1 113 113 LEU N N 113 116.370 116.370 119.853 -3.483 18797 1102 1 2 . 1 1 113 113 LEU C C 113 175.090 175.090 175.641 -0.551 18797 1103 1 2 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.124 -0.434 18797 1104 1 2 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.215 0.345 18797 1105 1 2 . 1 1 113 113 LEU H H 113 8.930 8.930 8.618 0.312 18797 1106 1 2 . 1 1 114 114 GLN N N 114 115.860 115.860 120.541 -4.681 18797 1107 1 2 . 1 1 114 114 GLN C C 114 176.910 176.910 174.546 2.364 18797 1108 1 2 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.401 -0.671 18797 1109 1 2 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.060 0.230 18797 1110 1 2 . 1 1 114 114 GLN H H 114 7.860 7.860 8.380 -0.520 18797 1111 1 2 . 1 1 115 115 PHE N N 115 126.580 126.580 127.570 -0.990 18797 1112 1 2 . 1 1 115 115 PHE C C 115 175.740 175.740 173.076 2.664 18797 1113 1 2 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.015 -1.815 18797 1114 1 2 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.853 1.517 18797 1115 1 2 . 1 1 115 115 PHE H H 115 9.750 9.750 8.951 0.799 18797 1116 1 2 . 1 1 116 116 ASN N N 116 119.920 119.920 126.396 -6.476 18797 1117 1 2 . 1 1 116 116 ASN CA C 116 51.200 51.200 49.598 1.602 18797 1118 1 2 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.998 -0.348 18797 1119 1 2 . 1 1 116 116 ASN H H 116 9.450 9.450 8.349 1.101 18797 1120 1 2 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.623 2.077 18797 1121 1 2 . 1 1 118 118 MET N N 118 110.530 110.530 118.628 -8.098 18797 1122 1 2 . 1 1 118 118 MET C C 118 176.130 176.130 176.752 -0.622 18797 1123 1 2 . 1 1 118 118 MET CA C 118 53.980 53.980 56.815 -2.835 18797 1124 1 2 . 1 1 118 118 MET CB C 118 36.310 36.310 32.682 3.628 18797 1125 1 2 . 1 1 118 118 MET H H 118 7.310 7.310 8.354 -1.044 18797 1126 1 2 . 1 1 119 119 GLU N N 119 120.320 120.320 117.284 3.036 18797 1127 1 2 . 1 1 119 119 GLU C C 119 176.810 176.810 177.506 -0.696 18797 1128 1 2 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.518 2.082 18797 1129 1 2 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.100 0.050 18797 1130 1 2 . 1 1 119 119 GLU H H 119 9.120 9.120 8.848 0.272 18797 1131 1 2 . 1 1 120 120 ASN N N 120 112.490 112.490 118.823 -6.333 18797 1132 1 2 . 1 1 120 120 ASN C C 120 174.080 174.080 176.165 -2.085 18797 1133 1 2 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.148 -1.748 18797 1134 1 2 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.073 0.757 18797 1135 1 2 . 1 1 120 120 ASN H H 120 8.430 8.430 8.684 -0.254 18797 1136 1 2 . 1 1 121 121 VAL N N 121 117.760 117.760 118.085 -0.325 18797 1137 1 2 . 1 1 121 121 VAL C C 121 174.750 174.750 175.406 -0.656 18797 1138 1 2 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.667 -1.978 18797 1139 1 2 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.888 5.012 18797 1140 1 2 . 1 1 121 121 VAL H H 121 7.500 7.500 7.292 0.208 18797 1141 1 2 . 1 1 122 122 ALA N N 122 127.190 127.190 123.471 3.719 18797 1142 1 2 . 1 1 122 122 ALA C C 122 175.140 175.140 175.481 -0.341 18797 1143 1 2 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.845 -1.455 18797 1144 1 2 . 1 1 122 122 ALA CB C 122 22.820 22.820 22.160 0.660 18797 1145 1 2 . 1 1 122 122 ALA H H 122 8.230 8.230 7.337 0.893 18797 1146 1 2 . 1 1 123 123 LEU N N 123 120.270 120.270 122.236 -1.966 18797 1147 1 2 . 1 1 123 123 LEU C C 123 174.310 174.310 175.550 -1.240 18797 1148 1 2 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.509 0.151 18797 1149 1 2 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.325 -1.815 18797 1150 1 2 . 1 1 123 123 LEU H H 123 8.910 8.910 8.629 0.281 18797 1151 1 2 . 1 1 124 124 ASP N N 124 127.350 127.350 120.294 7.056 18797 1152 1 2 . 1 1 124 124 ASP C C 124 171.830 171.830 174.371 -2.541 18797 1153 1 2 . 1 1 124 124 ASP CA C 124 53.820 53.820 53.238 0.582 18797 1154 1 2 . 1 1 124 124 ASP CB C 124 47.490 47.490 45.183 2.307 18797 1155 1 2 . 1 1 124 124 ASP H H 124 8.580 8.580 8.577 0.003 18797 1156 1 2 . 1 1 125 125 PHE N N 125 123.390 123.390 126.897 -3.507 18797 1157 1 2 . 1 1 125 125 PHE C C 125 174.130 174.130 173.362 0.768 18797 1158 1 2 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.326 -0.666 18797 1159 1 2 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.240 -0.540 18797 1160 1 2 . 1 1 125 125 PHE H H 125 8.670 8.670 8.457 0.213 18797 1161 1 2 . 1 1 126 126 SER N N 126 118.680 118.680 121.800 -3.120 18797 1162 1 2 . 1 1 126 126 SER C C 126 169.980 169.980 172.114 -2.134 18797 1163 1 2 . 1 1 126 126 SER CA C 126 58.120 58.120 56.588 1.532 18797 1164 1 2 . 1 1 126 126 SER CB C 126 66.950 66.950 65.990 0.960 18797 1165 1 2 . 1 1 126 126 SER H H 126 9.390 9.390 8.053 1.337 18797 1166 1 2 . 1 1 127 127 TYR N N 127 119.080 119.080 120.437 -1.357 18797 1167 1 2 . 1 1 127 127 TYR C C 127 174.390 174.390 173.633 0.757 18797 1168 1 2 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.035 0.405 18797 1169 1 2 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.298 1.802 18797 1170 1 2 . 1 1 127 127 TYR H H 127 8.610 8.610 8.405 0.205 18797 1171 1 2 . 1 1 128 128 GLU N N 128 130.070 130.070 121.016 9.054 18797 1172 1 2 . 1 1 128 128 GLU C C 128 172.590 172.590 174.593 -2.003 18797 1173 1 2 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.520 -0.390 18797 1174 1 2 . 1 1 128 128 GLU CB C 128 33.500 33.500 34.264 -0.764 18797 1175 1 2 . 1 1 128 128 GLU H H 128 8.510 8.510 8.621 -0.111 18797 1176 1 2 . 1 1 129 129 GLN N N 129 128.670 128.670 123.479 5.191 18797 1177 1 2 . 1 1 129 129 GLN C C 129 173.690 173.690 174.427 -0.737 18797 1178 1 2 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.861 -0.651 18797 1179 1 2 . 1 1 129 129 GLN CB C 129 31.050 31.050 33.151 -2.102 18797 1180 1 2 . 1 1 129 129 GLN H H 129 9.330 9.330 8.892 0.438 18797 1181 1 2 . 1 1 130 130 SER N N 130 118.630 118.630 120.182 -1.552 18797 1182 1 2 . 1 1 130 130 SER C C 130 174.210 174.210 174.434 -0.224 18797 1183 1 2 . 1 1 130 130 SER CA C 130 56.450 56.450 56.932 -0.482 18797 1184 1 2 . 1 1 130 130 SER CB C 130 66.260 66.260 65.537 0.724 18797 1185 1 2 . 1 1 130 130 SER H H 130 8.580 8.580 8.247 0.333 18797 1186 1 2 . 1 1 131 131 ARG N N 131 126.850 126.850 124.364 2.486 18797 1187 1 2 . 1 1 131 131 ARG C C 131 174.740 174.740 176.067 -1.327 18797 1188 1 2 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.675 -0.335 18797 1189 1 2 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.929 -1.019 18797 1190 1 2 . 1 1 131 131 ARG H H 131 7.690 7.690 8.622 -0.932 18797 1191 1 2 . 1 1 132 132 ILE N N 132 129.470 129.470 126.675 2.795 18797 1192 1 2 . 1 1 132 132 ILE C C 132 175.500 175.500 176.232 -0.732 18797 1193 1 2 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.640 -2.750 18797 1194 1 2 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.270 1.050 18797 1195 1 2 . 1 1 132 132 ILE H H 132 8.730 8.730 8.722 0.008 18797 1196 1 2 . 1 1 133 133 ARG N N 133 127.220 127.220 128.335 -1.115 18797 1197 1 2 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.454 2.656 18797 1198 1 2 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.947 -3.627 18797 1199 1 2 . 1 1 133 133 ARG H H 133 9.400 9.400 8.132 1.268 18797 1200 1 2 . 1 1 134 134 SER C C 134 173.290 173.290 173.343 -0.053 18797 1201 1 2 . 1 1 134 134 SER CA C 134 58.490 58.490 60.321 -1.831 18797 1202 1 2 . 1 1 134 134 SER CB C 134 62.860 62.860 63.126 -0.266 18797 1203 1 2 . 1 1 135 135 VAL N N 135 124.810 124.810 120.391 4.419 18797 1204 1 2 . 1 1 135 135 VAL C C 135 174.650 174.650 174.562 0.088 18797 1205 1 2 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.893 -0.023 18797 1206 1 2 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.375 -2.315 18797 1207 1 2 . 1 1 135 135 VAL H H 135 8.270 8.270 7.444 0.826 18797 1208 1 2 . 1 1 136 136 ASP N N 136 127.750 127.750 125.238 2.512 18797 1209 1 2 . 1 1 136 136 ASP C C 136 175.130 175.130 175.217 -0.087 18797 1210 1 2 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.546 1.674 18797 1211 1 2 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.195 -1.445 18797 1212 1 2 . 1 1 136 136 ASP H H 136 8.010 8.010 8.368 -0.358 18797 1213 1 2 . 1 1 137 137 VAL N N 137 124.520 124.520 123.021 1.499 18797 1214 1 2 . 1 1 137 137 VAL C C 137 174.690 174.690 175.094 -0.404 18797 1215 1 2 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.264 0.186 18797 1216 1 2 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.584 -0.784 18797 1217 1 2 . 1 1 137 137 VAL H H 137 8.720 8.720 8.002 0.718 18797 1218 1 2 . 1 1 138 138 GLY N N 138 116.920 116.920 113.710 3.210 18797 1219 1 2 . 1 1 138 138 GLY C C 138 172.930 172.930 172.465 0.465 18797 1220 1 2 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.071 0.409 18797 1221 1 2 . 1 1 138 138 GLY H H 138 8.240 8.240 8.607 -0.367 18797 1222 1 2 . 1 1 139 139 THR N N 139 125.070 125.070 121.323 3.747 18797 1223 1 2 . 1 1 139 139 THR C C 139 171.920 171.920 173.263 -1.343 18797 1224 1 2 . 1 1 139 139 THR CA C 139 60.890 60.890 60.900 -0.010 18797 1225 1 2 . 1 1 139 139 THR CB C 139 70.290 70.290 71.327 -1.037 18797 1226 1 2 . 1 1 139 139 THR H H 139 8.710 8.710 8.094 0.616 18797 1227 1 2 . 1 1 140 140 TRP N N 140 125.840 125.840 126.239 -0.399 18797 1228 1 2 . 1 1 140 140 TRP C C 140 175.070 175.070 174.869 0.201 18797 1229 1 2 . 1 1 140 140 TRP CA C 140 55.130 55.130 56.079 -0.949 18797 1230 1 2 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.439 -0.339 18797 1231 1 2 . 1 1 140 140 TRP H H 140 8.330 8.330 8.533 -0.203 18797 1232 1 2 . 1 1 141 141 ILE N N 141 123.240 123.240 121.986 1.254 18797 1233 1 2 . 1 1 141 141 ILE C C 141 174.870 174.870 174.148 0.722 18797 1234 1 2 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.739 0.651 18797 1235 1 2 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.634 -1.004 18797 1236 1 2 . 1 1 141 141 ILE H H 141 8.980 8.980 8.672 0.308 18797 1237 1 2 . 1 1 142 142 ALA N N 142 127.680 127.680 128.865 -1.185 18797 1238 1 2 . 1 1 142 142 ALA C C 142 175.700 175.700 176.016 -0.316 18797 1239 1 2 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.242 0.288 18797 1240 1 2 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.326 -0.116 18797 1241 1 2 . 1 1 142 142 ALA H H 142 8.350 8.350 8.487 -0.137 18797 1242 1 2 . 1 1 143 143 GLY N N 143 109.030 109.030 110.400 -1.370 18797 1243 1 2 . 1 1 143 143 GLY C C 143 172.090 172.090 171.458 0.632 18797 1244 1 2 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.199 1.231 18797 1245 1 2 . 1 1 143 143 GLY H H 143 9.520 9.520 8.464 1.056 18797 1246 1 2 . 1 1 144 144 VAL N N 144 114.110 114.110 120.791 -6.681 18797 1247 1 2 . 1 1 144 144 VAL C C 144 174.010 174.010 174.187 -0.177 18797 1248 1 2 . 1 1 144 144 VAL CA C 144 58.270 58.270 59.339 -1.069 18797 1249 1 2 . 1 1 144 144 VAL CB C 144 35.490 35.490 35.904 -0.413 18797 1250 1 2 . 1 1 144 144 VAL H H 144 8.750 8.750 8.515 0.235 18797 1251 1 2 . 1 1 145 145 GLY N N 145 107.360 107.360 114.533 -7.173 18797 1252 1 2 . 1 1 145 145 GLY C C 145 171.210 171.210 171.718 -0.508 18797 1253 1 2 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.931 1.839 18797 1254 1 2 . 1 1 145 145 GLY H H 145 8.590 8.590 8.518 0.072 18797 1255 1 2 . 1 1 146 146 TYR N N 146 121.960 121.960 115.199 6.761 18797 1256 1 2 . 1 1 146 146 TYR C C 146 172.440 172.440 173.564 -1.124 18797 1257 1 2 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.028 0.222 18797 1258 1 2 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.176 3.094 18797 1259 1 2 . 1 1 146 146 TYR H H 146 8.370 8.370 7.908 0.462 18797 1260 1 2 . 1 1 147 147 ARG N N 147 129.590 129.590 120.267 9.323 18797 1261 1 2 . 1 1 147 147 ARG C C 147 173.850 173.850 175.997 -2.147 18797 1262 1 2 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.606 -1.246 18797 1263 1 2 . 1 1 147 147 ARG CB C 147 32.420 32.420 32.726 -0.306 18797 1264 1 2 . 1 1 147 147 ARG H H 147 7.690 7.690 8.496 -0.806 18797 1265 1 3 . 1 1 2 2 THR N N 2 114.280 114.280 117.764 -3.484 18797 1266 1 3 . 1 1 2 2 THR C C 2 173.570 173.570 173.035 0.535 18797 1267 1 3 . 1 1 2 2 THR CA C 2 61.040 61.040 62.105 -1.065 18797 1268 1 3 . 1 1 2 2 THR CB C 2 71.930 71.930 70.422 1.508 18797 1269 1 3 . 1 1 2 2 THR H H 2 8.490 8.490 8.307 0.183 18797 1270 1 3 . 1 1 3 3 SER N N 3 122.430 122.430 118.705 3.725 18797 1271 1 3 . 1 1 3 3 SER C C 3 172.590 172.590 172.533 0.057 18797 1272 1 3 . 1 1 3 3 SER CA C 3 56.760 56.760 57.109 -0.349 18797 1273 1 3 . 1 1 3 3 SER CB C 3 65.480 65.480 65.933 -0.453 18797 1274 1 3 . 1 1 3 3 SER H H 3 9.000 9.000 8.574 0.426 18797 1275 1 3 . 1 1 4 4 THR N N 4 117.240 117.240 115.403 1.837 18797 1276 1 3 . 1 1 4 4 THR C C 4 174.640 174.640 172.202 2.438 18797 1277 1 3 . 1 1 4 4 THR CA C 4 61.390 61.390 60.545 0.845 18797 1278 1 3 . 1 1 4 4 THR CB C 4 70.680 70.680 71.617 -0.937 18797 1279 1 3 . 1 1 4 4 THR H H 4 8.610 8.610 8.160 0.450 18797 1280 1 3 . 1 1 5 5 VAL N N 5 129.440 129.440 125.112 4.328 18797 1281 1 3 . 1 1 5 5 VAL C C 5 174.770 174.770 173.560 1.210 18797 1282 1 3 . 1 1 5 5 VAL CA C 5 59.760 59.760 59.002 0.758 18797 1283 1 3 . 1 1 5 5 VAL CB C 5 33.490 33.490 35.120 -1.631 18797 1284 1 3 . 1 1 5 5 VAL H H 5 8.750 8.750 7.876 0.874 18797 1285 1 3 . 1 1 6 6 THR N N 6 116.430 116.430 124.344 -7.914 18797 1286 1 3 . 1 1 6 6 THR C C 6 172.930 172.930 173.051 -0.121 18797 1287 1 3 . 1 1 6 6 THR CA C 6 58.590 58.590 61.090 -2.500 18797 1288 1 3 . 1 1 6 6 THR CB C 6 70.930 70.930 71.870 -0.940 18797 1289 1 3 . 1 1 6 6 THR H H 6 8.890 8.890 8.072 0.818 18797 1290 1 3 . 1 1 7 7 GLY N N 7 105.590 105.590 111.133 -5.543 18797 1291 1 3 . 1 1 7 7 GLY C C 7 172.430 172.430 172.052 0.378 18797 1292 1 3 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.561 0.759 18797 1293 1 3 . 1 1 7 7 GLY H H 7 8.760 8.760 8.367 0.393 18797 1294 1 3 . 1 1 8 8 GLY N N 8 106.530 106.530 109.504 -2.974 18797 1295 1 3 . 1 1 8 8 GLY C C 8 173.030 173.030 171.836 1.194 18797 1296 1 3 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.645 1.285 18797 1297 1 3 . 1 1 8 8 GLY H H 8 9.100 9.100 7.989 1.111 18797 1298 1 3 . 1 1 9 9 TYR N N 9 121.730 121.730 118.645 3.085 18797 1299 1 3 . 1 1 9 9 TYR C C 9 172.390 172.390 174.329 -1.939 18797 1300 1 3 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.310 0.530 18797 1301 1 3 . 1 1 9 9 TYR CB C 9 41.080 41.080 41.908 -0.828 18797 1302 1 3 . 1 1 9 9 TYR H H 9 8.410 8.410 8.219 0.191 18797 1303 1 3 . 1 1 10 10 ALA N N 10 128.460 128.460 124.337 4.123 18797 1304 1 3 . 1 1 10 10 ALA C C 10 174.020 174.020 176.127 -2.107 18797 1305 1 3 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.368 -1.158 18797 1306 1 3 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.185 0.035 18797 1307 1 3 . 1 1 10 10 ALA H H 10 6.910 6.910 8.979 -2.070 18797 1308 1 3 . 1 1 11 11 GLN N N 11 118.830 118.830 121.907 -3.077 18797 1309 1 3 . 1 1 11 11 GLN C C 11 175.650 175.650 175.336 0.314 18797 1310 1 3 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.225 0.605 18797 1311 1 3 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.739 -0.679 18797 1312 1 3 . 1 1 11 11 GLN H H 11 8.100 8.100 8.306 -0.206 18797 1313 1 3 . 1 1 12 12 SER N N 12 124.200 124.200 118.659 5.541 18797 1314 1 3 . 1 1 12 12 SER C C 12 172.710 172.710 174.179 -1.469 18797 1315 1 3 . 1 1 12 12 SER CA C 12 57.190 57.190 56.182 1.008 18797 1316 1 3 . 1 1 12 12 SER CB C 12 64.180 64.180 65.905 -1.725 18797 1317 1 3 . 1 1 12 12 SER H H 12 9.160 9.160 8.693 0.467 18797 1318 1 3 . 1 1 13 13 ASP N N 13 124.950 124.950 124.064 0.886 18797 1319 1 3 . 1 1 13 13 ASP C C 13 174.860 174.860 174.874 -0.014 18797 1320 1 3 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.813 -0.853 18797 1321 1 3 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.525 0.395 18797 1322 1 3 . 1 1 13 13 ASP H H 13 9.070 9.070 8.139 0.931 18797 1323 1 3 . 1 1 14 14 ALA N N 14 128.730 128.730 126.943 1.787 18797 1324 1 3 . 1 1 14 14 ALA C C 14 176.230 176.230 176.435 -0.205 18797 1325 1 3 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.269 -1.459 18797 1326 1 3 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.619 -1.119 18797 1327 1 3 . 1 1 14 14 ALA H H 14 8.560 8.560 8.194 0.366 18797 1328 1 3 . 1 1 15 15 GLN N N 15 122.750 122.750 122.599 0.151 18797 1329 1 3 . 1 1 15 15 GLN C C 15 176.660 176.660 176.267 0.393 18797 1330 1 3 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.875 2.245 18797 1331 1 3 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.656 -2.496 18797 1332 1 3 . 1 1 15 15 GLN H H 15 8.340 8.340 8.501 -0.161 18797 1333 1 3 . 1 1 16 16 GLY N N 16 112.800 112.800 110.497 2.303 18797 1334 1 3 . 1 1 16 16 GLY C C 16 174.400 174.400 173.978 0.422 18797 1335 1 3 . 1 1 16 16 GLY CA C 16 45.180 45.180 46.242 -1.062 18797 1336 1 3 . 1 1 16 16 GLY H H 16 8.650 8.650 8.794 -0.144 18797 1337 1 3 . 1 1 17 17 GLN N N 17 119.300 119.300 120.740 -1.440 18797 1338 1 3 . 1 1 17 17 GLN C C 17 175.720 175.720 175.300 0.420 18797 1339 1 3 . 1 1 17 17 GLN CA C 17 54.600 54.600 55.763 -1.163 18797 1340 1 3 . 1 1 17 17 GLN CB C 17 32.800 32.800 28.861 3.939 18797 1341 1 3 . 1 1 17 17 GLN H H 17 8.080 8.080 8.180 -0.100 18797 1342 1 3 . 1 1 18 18 MET N N 18 120.170 120.170 119.911 0.259 18797 1343 1 3 . 1 1 18 18 MET C C 18 175.400 175.400 175.095 0.305 18797 1344 1 3 . 1 1 18 18 MET CA C 18 55.980 55.980 54.953 1.027 18797 1345 1 3 . 1 1 18 18 MET CB C 18 35.590 35.590 34.835 0.755 18797 1346 1 3 . 1 1 18 18 MET H H 18 8.370 8.370 7.687 0.683 18797 1347 1 3 . 1 1 19 19 ASN N N 19 117.900 117.900 119.865 -1.965 18797 1348 1 3 . 1 1 19 19 ASN C C 19 174.400 174.400 175.321 -0.921 18797 1349 1 3 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.692 -0.392 18797 1350 1 3 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.351 0.049 18797 1351 1 3 . 1 1 19 19 ASN H H 19 7.990 7.990 8.492 -0.502 18797 1352 1 3 . 1 1 20 20 LYS N N 20 120.800 120.800 119.474 1.326 18797 1353 1 3 . 1 1 20 20 LYS C C 20 176.410 176.410 175.836 0.574 18797 1354 1 3 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.075 -1.375 18797 1355 1 3 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.428 -1.528 18797 1356 1 3 . 1 1 20 20 LYS H H 20 8.340 8.340 8.408 -0.068 18797 1357 1 3 . 1 1 21 21 MET N N 21 120.500 120.500 116.778 3.722 18797 1358 1 3 . 1 1 21 21 MET C C 21 175.270 175.270 175.091 0.179 18797 1359 1 3 . 1 1 21 21 MET CA C 21 54.800 54.800 54.560 0.239 18797 1360 1 3 . 1 1 21 21 MET CB C 21 34.730 34.730 37.680 -2.950 18797 1361 1 3 . 1 1 21 21 MET H H 21 8.580 8.580 7.784 0.796 18797 1362 1 3 . 1 1 22 22 GLY N N 22 111.280 111.280 107.294 3.986 18797 1363 1 3 . 1 1 22 22 GLY C C 22 174.030 174.030 172.154 1.876 18797 1364 1 3 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.848 -0.038 18797 1365 1 3 . 1 1 22 22 GLY H H 22 8.430 8.430 8.403 0.027 18797 1366 1 3 . 1 1 23 23 GLY N N 23 120.170 120.170 107.849 12.321 18797 1367 1 3 . 1 1 23 23 GLY C C 23 171.850 171.850 171.969 -0.119 18797 1368 1 3 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.334 1.816 18797 1369 1 3 . 1 1 23 23 GLY H H 23 8.180 8.180 8.079 0.101 18797 1370 1 3 . 1 1 24 24 PHE N N 24 121.370 121.370 120.935 0.435 18797 1371 1 3 . 1 1 24 24 PHE C C 24 171.570 171.570 174.730 -3.160 18797 1372 1 3 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.605 -1.875 18797 1373 1 3 . 1 1 24 24 PHE CB C 24 43.510 43.510 41.493 2.017 18797 1374 1 3 . 1 1 24 24 PHE H H 24 9.230 9.230 8.425 0.805 18797 1375 1 3 . 1 1 25 25 ASN N N 25 118.950 118.950 120.602 -1.652 18797 1376 1 3 . 1 1 25 25 ASN C C 25 172.080 172.080 174.134 -2.054 18797 1377 1 3 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.149 -1.279 18797 1378 1 3 . 1 1 25 25 ASN CB C 25 46.450 46.450 41.788 4.662 18797 1379 1 3 . 1 1 25 25 ASN H H 25 8.520 8.520 8.379 0.141 18797 1380 1 3 . 1 1 26 26 LEU N N 26 126.150 126.150 122.963 3.187 18797 1381 1 3 . 1 1 26 26 LEU C C 26 175.620 175.620 175.623 -0.003 18797 1382 1 3 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.701 -0.211 18797 1383 1 3 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.031 1.599 18797 1384 1 3 . 1 1 26 26 LEU H H 26 9.340 9.340 8.522 0.818 18797 1385 1 3 . 1 1 27 27 LYS N N 27 117.980 117.980 119.685 -1.705 18797 1386 1 3 . 1 1 27 27 LYS C C 27 175.120 175.120 175.216 -0.096 18797 1387 1 3 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.497 0.693 18797 1388 1 3 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.646 -0.076 18797 1389 1 3 . 1 1 27 27 LYS H H 27 8.850 8.850 8.199 0.651 18797 1390 1 3 . 1 1 28 28 TYR N N 28 120.820 120.820 120.911 -0.091 18797 1391 1 3 . 1 1 28 28 TYR C C 28 172.480 172.480 174.580 -2.100 18797 1392 1 3 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.386 -0.106 18797 1393 1 3 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.187 -0.287 18797 1394 1 3 . 1 1 28 28 TYR H H 28 8.430 8.430 8.506 -0.076 18797 1395 1 3 . 1 1 29 29 ARG N N 29 129.660 129.660 121.255 8.405 18797 1396 1 3 . 1 1 29 29 ARG C C 29 172.780 172.780 174.241 -1.461 18797 1397 1 3 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.852 -0.852 18797 1398 1 3 . 1 1 29 29 ARG CB C 29 34.010 34.010 35.058 -1.048 18797 1399 1 3 . 1 1 29 29 ARG H H 29 8.670 8.670 8.159 0.511 18797 1400 1 3 . 1 1 30 30 TYR N N 30 127.210 127.210 123.181 4.029 18797 1401 1 3 . 1 1 30 30 TYR C C 30 175.000 175.000 174.693 0.307 18797 1402 1 3 . 1 1 30 30 TYR CA C 30 56.830 56.830 57.237 -0.407 18797 1403 1 3 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.720 1.420 18797 1404 1 3 . 1 1 30 30 TYR H H 30 8.930 8.930 8.076 0.854 18797 1405 1 3 . 1 1 31 31 GLU N N 31 128.090 128.090 122.723 5.367 18797 1406 1 3 . 1 1 31 31 GLU C C 31 174.250 174.250 176.079 -1.829 18797 1407 1 3 . 1 1 31 31 GLU CA C 31 54.630 54.630 56.029 -1.399 18797 1408 1 3 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.845 1.645 18797 1409 1 3 . 1 1 31 31 GLU H H 31 8.170 8.170 8.296 -0.126 18797 1410 1 3 . 1 1 32 32 GLU N N 32 122.610 122.610 124.364 -1.754 18797 1411 1 3 . 1 1 32 32 GLU C C 32 176.920 176.920 175.158 1.762 18797 1412 1 3 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.909 -0.339 18797 1413 1 3 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.818 -2.048 18797 1414 1 3 . 1 1 32 32 GLU H H 32 9.120 9.120 8.541 0.579 18797 1415 1 3 . 1 1 33 33 ASP N N 33 121.920 121.920 121.688 0.232 18797 1416 1 3 . 1 1 33 33 ASP C C 33 176.990 176.990 176.563 0.427 18797 1417 1 3 . 1 1 33 33 ASP CA C 33 55.870 55.870 54.048 1.822 18797 1418 1 3 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.508 -1.238 18797 1419 1 3 . 1 1 33 33 ASP H H 33 8.600 8.600 8.501 0.099 18797 1420 1 3 . 1 1 34 34 ASN N N 34 115.300 115.300 116.839 -1.539 18797 1421 1 3 . 1 1 34 34 ASN C C 34 174.280 174.280 176.366 -2.086 18797 1422 1 3 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.297 -1.937 18797 1423 1 3 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.772 -0.822 18797 1424 1 3 . 1 1 34 34 ASN H H 34 8.420 8.420 8.488 -0.068 18797 1425 1 3 . 1 1 35 35 SER N N 35 112.970 112.970 113.284 -0.314 18797 1426 1 3 . 1 1 35 35 SER CA C 35 54.260 54.260 59.166 -4.906 18797 1427 1 3 . 1 1 35 35 SER CB C 35 64.920 64.920 62.611 2.308 18797 1428 1 3 . 1 1 35 35 SER H H 35 7.270 7.270 8.197 -0.927 18797 1429 1 3 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.176 1.184 18797 1430 1 3 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.446 -0.976 18797 1431 1 3 . 1 1 37 37 LEU N N 37 123.000 123.000 123.067 -0.067 18797 1432 1 3 . 1 1 37 37 LEU C C 37 176.300 176.300 177.544 -1.244 18797 1433 1 3 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.463 -0.623 18797 1434 1 3 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.664 1.026 18797 1435 1 3 . 1 1 37 37 LEU H H 37 7.910 7.910 8.344 -0.434 18797 1436 1 3 . 1 1 38 38 GLY N N 38 117.320 117.320 108.788 8.532 18797 1437 1 3 . 1 1 38 38 GLY C C 38 172.340 172.340 173.306 -0.966 18797 1438 1 3 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.233 0.197 18797 1439 1 3 . 1 1 38 38 GLY H H 38 9.110 9.110 8.158 0.952 18797 1440 1 3 . 1 1 39 39 VAL N N 39 116.550 116.550 125.606 -9.056 18797 1441 1 3 . 1 1 39 39 VAL C C 39 171.720 171.720 175.309 -3.589 18797 1442 1 3 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.943 -2.943 18797 1443 1 3 . 1 1 39 39 VAL CB C 39 35.610 35.610 33.013 2.597 18797 1444 1 3 . 1 1 39 39 VAL H H 39 7.980 7.980 8.434 -0.454 18797 1445 1 3 . 1 1 40 40 ILE N N 40 125.640 125.640 127.316 -1.676 18797 1446 1 3 . 1 1 40 40 ILE C C 40 171.600 171.600 175.083 -3.483 18797 1447 1 3 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.306 -0.766 18797 1448 1 3 . 1 1 40 40 ILE CB C 40 44.130 44.130 40.961 3.169 18797 1449 1 3 . 1 1 40 40 ILE H H 40 9.160 9.160 8.463 0.697 18797 1450 1 3 . 1 1 41 41 GLY N N 41 111.830 111.830 113.166 -1.336 18797 1451 1 3 . 1 1 41 41 GLY C C 41 172.000 172.000 171.861 0.139 18797 1452 1 3 . 1 1 41 41 GLY CA C 41 43.150 43.150 43.911 -0.761 18797 1453 1 3 . 1 1 41 41 GLY H H 41 8.930 8.930 8.462 0.468 18797 1454 1 3 . 1 1 42 42 SER N N 42 116.940 116.940 118.974 -2.034 18797 1455 1 3 . 1 1 42 42 SER C C 42 172.100 172.100 172.599 -0.499 18797 1456 1 3 . 1 1 42 42 SER CA C 42 56.220 56.220 55.693 0.527 18797 1457 1 3 . 1 1 42 42 SER CB C 42 62.920 62.920 65.474 -2.554 18797 1458 1 3 . 1 1 42 42 SER H H 42 9.190 9.190 8.187 1.003 18797 1459 1 3 . 1 1 43 43 PHE N N 43 129.230 129.230 123.297 5.933 18797 1460 1 3 . 1 1 43 43 PHE C C 43 172.920 172.920 175.290 -2.370 18797 1461 1 3 . 1 1 43 43 PHE CA C 43 55.960 55.960 55.956 0.004 18797 1462 1 3 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.732 -0.302 18797 1463 1 3 . 1 1 43 43 PHE H H 43 9.300 9.300 8.634 0.666 18797 1464 1 3 . 1 1 44 44 THR N N 44 126.530 126.530 114.615 11.915 18797 1465 1 3 . 1 1 44 44 THR C C 44 171.340 171.340 173.386 -2.046 18797 1466 1 3 . 1 1 44 44 THR CA C 44 60.410 60.410 59.783 0.627 18797 1467 1 3 . 1 1 44 44 THR CB C 44 70.220 70.220 71.867 -1.647 18797 1468 1 3 . 1 1 44 44 THR H H 44 8.820 8.820 8.705 0.115 18797 1469 1 3 . 1 1 45 45 TYR N N 45 125.840 125.840 122.932 2.908 18797 1470 1 3 . 1 1 45 45 TYR C C 45 174.000 174.000 175.934 -1.934 18797 1471 1 3 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.083 -0.413 18797 1472 1 3 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.080 -1.079 18797 1473 1 3 . 1 1 45 45 TYR H H 45 8.210 8.210 8.576 -0.366 18797 1474 1 3 . 1 1 46 46 THR N N 46 117.670 117.670 119.188 -1.518 18797 1475 1 3 . 1 1 46 46 THR C C 46 171.910 171.910 173.787 -1.877 18797 1476 1 3 . 1 1 46 46 THR CA C 46 58.720 58.720 61.310 -2.590 18797 1477 1 3 . 1 1 46 46 THR CB C 46 71.710 71.710 70.870 0.840 18797 1478 1 3 . 1 1 46 46 THR H H 46 8.550 8.550 8.428 0.122 18797 1479 1 3 . 1 1 47 47 GLU N N 47 112.160 112.160 124.596 -12.436 18797 1480 1 3 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.945 -0.365 18797 1481 1 3 . 1 1 47 47 GLU CB C 47 32.670 32.670 33.757 -1.087 18797 1482 1 3 . 1 1 47 47 GLU H H 47 8.170 8.170 8.927 -0.757 18797 1483 1 3 . 1 1 49 49 SER CA C 49 58.210 58.210 57.922 0.288 18797 1484 1 3 . 1 1 49 49 SER CB C 49 64.070 64.070 64.301 -0.231 18797 1485 1 3 . 1 1 49 49 SER H H 49 174.130 174.130 8.540 165.590 18797 1486 1 3 . 1 1 50 50 ARG N N 50 124.000 124.000 124.275 -0.275 18797 1487 1 3 . 1 1 50 50 ARG C C 50 176.270 176.270 175.787 0.483 18797 1488 1 3 . 1 1 50 50 ARG CA C 50 55.960 55.960 55.979 -0.019 18797 1489 1 3 . 1 1 50 50 ARG CB C 50 30.980 30.980 32.588 -1.608 18797 1490 1 3 . 1 1 50 50 ARG H H 50 8.600 8.600 8.448 0.152 18797 1491 1 3 . 1 1 51 51 THR N N 51 115.720 115.720 119.918 -4.198 18797 1492 1 3 . 1 1 51 51 THR C C 51 174.400 174.400 174.649 -0.249 18797 1493 1 3 . 1 1 51 51 THR CA C 51 61.820 61.820 62.880 -1.060 18797 1494 1 3 . 1 1 51 51 THR H H 51 8.240 8.240 8.401 -0.161 18797 1495 1 3 . 1 1 52 52 ALA CA C 52 52.000 52.000 53.338 -1.338 18797 1496 1 3 . 1 1 52 52 ALA CB C 52 18.800 18.800 19.234 -0.434 18797 1497 1 3 . 1 1 52 52 ALA H H 52 175.230 175.230 8.352 166.878 18797 1498 1 3 . 1 1 53 53 SER N N 53 113.990 113.990 116.630 -2.640 18797 1499 1 3 . 1 1 53 53 SER C C 53 175.360 175.360 175.575 -0.215 18797 1500 1 3 . 1 1 53 53 SER CA C 53 58.350 58.350 57.476 0.874 18797 1501 1 3 . 1 1 53 53 SER CB C 53 62.930 62.930 63.644 -0.714 18797 1502 1 3 . 1 1 53 53 SER H H 53 8.000 8.000 7.824 0.176 18797 1503 1 3 . 1 1 54 54 SER N N 54 113.510 113.510 117.080 -3.570 18797 1504 1 3 . 1 1 54 54 SER C C 54 173.880 173.880 175.743 -1.863 18797 1505 1 3 . 1 1 54 54 SER CA C 54 58.500 58.500 59.835 -1.335 18797 1506 1 3 . 1 1 54 54 SER CB C 54 62.960 62.960 63.014 -0.054 18797 1507 1 3 . 1 1 54 54 SER H H 54 8.050 8.050 8.656 -0.606 18797 1508 1 3 . 1 1 55 55 GLY N N 55 112.640 112.640 108.863 3.777 18797 1509 1 3 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.523 -0.323 18797 1510 1 3 . 1 1 55 55 GLY H H 55 8.140 8.140 8.231 -0.091 18797 1511 1 3 . 1 1 56 56 ASP CA C 56 54.100 54.100 55.988 -1.888 18797 1512 1 3 . 1 1 56 56 ASP CB C 56 41.000 41.000 40.348 0.652 18797 1513 1 3 . 1 1 56 56 ASP H H 56 175.600 175.600 7.494 168.106 18797 1514 1 3 . 1 1 57 57 TYR N N 57 121.140 121.140 117.133 4.007 18797 1515 1 3 . 1 1 57 57 TYR CA C 57 57.280 57.280 58.634 -1.354 18797 1516 1 3 . 1 1 57 57 TYR CB C 57 38.400 38.400 38.684 -0.284 18797 1517 1 3 . 1 1 57 57 TYR H H 57 8.150 8.150 8.253 -0.103 18797 1518 1 3 . 1 1 59 59 LYS CA C 59 55.410 55.410 58.970 -3.560 18797 1519 1 3 . 1 1 59 59 LYS CB C 59 34.220 34.220 32.832 1.388 18797 1520 1 3 . 1 1 60 60 ASN N N 60 122.740 122.740 112.482 10.258 18797 1521 1 3 . 1 1 60 60 ASN C C 60 175.260 175.260 173.735 1.525 18797 1522 1 3 . 1 1 60 60 ASN CA C 60 52.200 52.200 51.434 0.766 18797 1523 1 3 . 1 1 60 60 ASN CB C 60 40.230 40.230 40.582 -0.352 18797 1524 1 3 . 1 1 60 60 ASN H H 60 8.360 8.360 7.597 0.763 18797 1525 1 3 . 1 1 61 61 GLN N N 61 120.450 120.450 116.443 4.007 18797 1526 1 3 . 1 1 61 61 GLN C C 61 172.500 172.500 173.900 -1.400 18797 1527 1 3 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.315 0.425 18797 1528 1 3 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.663 1.177 18797 1529 1 3 . 1 1 61 61 GLN H H 61 8.530 8.530 8.075 0.455 18797 1530 1 3 . 1 1 62 62 TYR N N 62 123.620 123.620 118.421 5.199 18797 1531 1 3 . 1 1 62 62 TYR C C 62 171.430 171.430 175.445 -4.015 18797 1532 1 3 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.973 0.867 18797 1533 1 3 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.255 -1.325 18797 1534 1 3 . 1 1 62 62 TYR H H 62 8.610 8.610 8.406 0.204 18797 1535 1 3 . 1 1 63 63 TYR N N 63 123.920 123.920 120.996 2.924 18797 1536 1 3 . 1 1 63 63 TYR C C 63 174.280 174.280 175.398 -1.118 18797 1537 1 3 . 1 1 63 63 TYR CA C 63 54.580 54.580 56.160 -1.580 18797 1538 1 3 . 1 1 63 63 TYR CB C 63 41.320 41.320 41.475 -0.155 18797 1539 1 3 . 1 1 63 63 TYR H H 63 8.400 8.400 8.858 -0.458 18797 1540 1 3 . 1 1 64 64 GLY N N 64 107.510 107.510 110.124 -2.614 18797 1541 1 3 . 1 1 64 64 GLY C C 64 174.090 174.090 172.130 1.960 18797 1542 1 3 . 1 1 64 64 GLY CA C 64 44.570 44.570 44.068 0.502 18797 1543 1 3 . 1 1 64 64 GLY H H 64 8.760 8.760 8.701 0.059 18797 1544 1 3 . 1 1 65 65 ILE N N 65 128.470 128.470 125.567 2.903 18797 1545 1 3 . 1 1 65 65 ILE C C 65 174.350 174.350 175.109 -0.759 18797 1546 1 3 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.894 0.066 18797 1547 1 3 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.766 -1.026 18797 1548 1 3 . 1 1 65 65 ILE H H 65 8.900 8.900 8.348 0.552 18797 1549 1 3 . 1 1 66 66 THR N N 66 115.890 115.890 117.754 -1.864 18797 1550 1 3 . 1 1 66 66 THR C C 66 172.600 172.600 172.912 -0.312 18797 1551 1 3 . 1 1 66 66 THR CA C 66 58.670 58.670 59.333 -0.663 18797 1552 1 3 . 1 1 66 66 THR CB C 66 73.100 73.100 71.750 1.350 18797 1553 1 3 . 1 1 66 66 THR H H 66 8.900 8.900 8.423 0.477 18797 1554 1 3 . 1 1 67 67 ALA N N 67 119.730 119.730 122.951 -3.221 18797 1555 1 3 . 1 1 67 67 ALA C C 67 176.670 176.670 175.541 1.129 18797 1556 1 3 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.761 0.739 18797 1557 1 3 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.615 -0.555 18797 1558 1 3 . 1 1 67 67 ALA H H 67 9.370 9.370 8.504 0.866 18797 1559 1 3 . 1 1 68 68 GLY N N 68 104.240 104.240 106.916 -2.676 18797 1560 1 3 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.632 1.288 18797 1561 1 3 . 1 1 68 68 GLY H H 68 8.900 8.900 8.065 0.835 18797 1562 1 3 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.211 -0.171 18797 1563 1 3 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.990 -0.300 18797 1564 1 3 . 1 1 70 70 ALA N N 70 120.220 120.220 127.310 -7.090 18797 1565 1 3 . 1 1 70 70 ALA C C 70 175.590 175.590 175.815 -0.225 18797 1566 1 3 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.218 -1.728 18797 1567 1 3 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.667 0.313 18797 1568 1 3 . 1 1 70 70 ALA H H 70 7.870 7.870 8.709 -0.839 18797 1569 1 3 . 1 1 71 71 TYR N N 71 126.080 126.080 125.024 1.056 18797 1570 1 3 . 1 1 71 71 TYR C C 71 174.090 174.090 174.392 -0.302 18797 1571 1 3 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.074 -0.954 18797 1572 1 3 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.604 -0.684 18797 1573 1 3 . 1 1 71 71 TYR H H 71 9.780 9.780 8.939 0.841 18797 1574 1 3 . 1 1 72 72 ARG N N 72 131.410 131.410 128.195 3.215 18797 1575 1 3 . 1 1 72 72 ARG C C 72 174.160 174.160 174.730 -0.570 18797 1576 1 3 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.775 1.245 18797 1577 1 3 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.617 -0.997 18797 1578 1 3 . 1 1 72 72 ARG H H 72 8.770 8.770 8.089 0.681 18797 1579 1 3 . 1 1 73 73 ILE N N 73 129.550 129.550 127.729 1.821 18797 1580 1 3 . 1 1 73 73 ILE C C 73 175.730 175.730 176.695 -0.965 18797 1581 1 3 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.672 2.279 18797 1582 1 3 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.219 -0.709 18797 1583 1 3 . 1 1 73 73 ILE H H 73 8.400 8.400 8.354 0.046 18797 1584 1 3 . 1 1 74 74 ASN N N 74 114.870 114.870 124.556 -9.686 18797 1585 1 3 . 1 1 74 74 ASN C C 74 174.860 174.860 175.888 -1.028 18797 1586 1 3 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.379 -3.549 18797 1587 1 3 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.342 -1.502 18797 1588 1 3 . 1 1 74 74 ASN H H 74 7.920 7.920 8.865 -0.945 18797 1589 1 3 . 1 1 75 75 ASP N N 75 113.980 113.980 119.092 -5.112 18797 1590 1 3 . 1 1 75 75 ASP C C 75 175.820 175.820 175.207 0.613 18797 1591 1 3 . 1 1 75 75 ASP CA C 75 56.920 56.920 52.699 4.221 18797 1592 1 3 . 1 1 75 75 ASP CB C 75 40.230 40.230 39.566 0.664 18797 1593 1 3 . 1 1 75 75 ASP H H 75 8.320 8.320 8.146 0.174 18797 1594 1 3 . 1 1 76 76 TRP N N 76 113.600 113.600 118.439 -4.839 18797 1595 1 3 . 1 1 76 76 TRP C C 76 176.310 176.310 176.131 0.179 18797 1596 1 3 . 1 1 76 76 TRP CA C 76 55.410 55.410 57.925 -2.515 18797 1597 1 3 . 1 1 76 76 TRP CB C 76 31.160 31.160 26.539 4.621 18797 1598 1 3 . 1 1 76 76 TRP H H 76 7.970 7.970 7.182 0.788 18797 1599 1 3 . 1 1 77 77 ALA N N 77 125.520 125.520 120.470 5.050 18797 1600 1 3 . 1 1 77 77 ALA C C 77 175.620 175.620 177.021 -1.401 18797 1601 1 3 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.202 0.868 18797 1602 1 3 . 1 1 77 77 ALA CB C 77 21.140 21.140 20.341 0.799 18797 1603 1 3 . 1 1 77 77 ALA H H 77 7.740 7.740 7.608 0.132 18797 1604 1 3 . 1 1 78 78 SER N N 78 114.140 114.140 115.966 -1.826 18797 1605 1 3 . 1 1 78 78 SER C C 78 170.060 170.060 173.326 -3.266 18797 1606 1 3 . 1 1 78 78 SER CA C 78 57.250 57.250 60.134 -2.884 18797 1607 1 3 . 1 1 78 78 SER CB C 78 65.320 65.320 64.224 1.096 18797 1608 1 3 . 1 1 78 78 SER H H 78 8.100 8.100 7.686 0.414 18797 1609 1 3 . 1 1 79 79 ILE N N 79 120.650 120.650 123.972 -3.322 18797 1610 1 3 . 1 1 79 79 ILE C C 79 172.470 172.470 173.939 -1.469 18797 1611 1 3 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.243 -0.793 18797 1612 1 3 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.879 0.221 18797 1613 1 3 . 1 1 79 79 ILE H H 79 8.960 8.960 8.357 0.603 18797 1614 1 3 . 1 1 80 80 TYR N N 80 120.580 120.580 126.629 -6.049 18797 1615 1 3 . 1 1 80 80 TYR C C 80 173.000 173.000 173.649 -0.649 18797 1616 1 3 . 1 1 80 80 TYR CA C 80 55.980 55.980 54.943 1.037 18797 1617 1 3 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.378 -0.348 18797 1618 1 3 . 1 1 80 80 TYR H H 80 8.360 8.360 8.352 0.008 18797 1619 1 3 . 1 1 81 81 GLY N N 81 106.140 106.140 108.157 -2.017 18797 1620 1 3 . 1 1 81 81 GLY C C 81 170.920 170.920 172.333 -1.413 18797 1621 1 3 . 1 1 81 81 GLY CA C 81 44.000 44.000 44.062 -0.062 18797 1622 1 3 . 1 1 81 81 GLY H H 81 8.050 8.050 8.166 -0.116 18797 1623 1 3 . 1 1 82 82 VAL N N 82 111.380 111.380 118.213 -6.833 18797 1624 1 3 . 1 1 82 82 VAL C C 82 174.370 174.370 173.874 0.496 18797 1625 1 3 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.461 -1.281 18797 1626 1 3 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.527 -0.087 18797 1627 1 3 . 1 1 82 82 VAL H H 82 8.490 8.490 8.464 0.026 18797 1628 1 3 . 1 1 83 83 VAL N N 83 113.660 113.660 120.422 -6.762 18797 1629 1 3 . 1 1 83 83 VAL C C 83 174.680 174.680 175.393 -0.713 18797 1630 1 3 . 1 1 83 83 VAL CA C 83 59.090 59.090 60.105 -1.014 18797 1631 1 3 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.125 0.895 18797 1632 1 3 . 1 1 83 83 VAL H H 83 8.970 8.970 8.276 0.694 18797 1633 1 3 . 1 1 84 84 GLY N N 84 108.310 108.310 112.511 -4.201 18797 1634 1 3 . 1 1 84 84 GLY C C 84 171.440 171.440 171.984 -0.544 18797 1635 1 3 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.317 2.453 18797 1636 1 3 . 1 1 84 84 GLY H H 84 8.480 8.480 8.738 -0.258 18797 1637 1 3 . 1 1 85 85 VAL N N 85 122.520 122.520 119.234 3.286 18797 1638 1 3 . 1 1 85 85 VAL C C 85 172.560 172.560 175.051 -2.491 18797 1639 1 3 . 1 1 85 85 VAL CA C 85 59.170 59.170 60.606 -1.436 18797 1640 1 3 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.463 1.347 18797 1641 1 3 . 1 1 85 85 VAL H H 85 8.920 8.920 8.076 0.844 18797 1642 1 3 . 1 1 86 86 GLY N N 86 113.360 113.360 113.217 0.143 18797 1643 1 3 . 1 1 86 86 GLY C C 86 172.210 172.210 172.302 -0.092 18797 1644 1 3 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.676 -0.396 18797 1645 1 3 . 1 1 86 86 GLY H H 86 8.880 8.880 8.356 0.524 18797 1646 1 3 . 1 1 87 87 TYR N N 87 123.830 123.830 122.685 1.145 18797 1647 1 3 . 1 1 87 87 TYR C C 87 174.030 174.030 175.563 -1.533 18797 1648 1 3 . 1 1 87 87 TYR CA C 87 55.930 55.930 56.125 -0.195 18797 1649 1 3 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.546 -0.516 18797 1650 1 3 . 1 1 87 87 TYR H H 87 9.310 9.310 8.966 0.344 18797 1651 1 3 . 1 1 88 88 GLY N N 88 112.300 112.300 109.439 2.861 18797 1652 1 3 . 1 1 88 88 GLY C C 88 170.620 170.620 172.046 -1.426 18797 1653 1 3 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.783 0.617 18797 1654 1 3 . 1 1 88 88 GLY H H 88 8.000 8.000 8.945 -0.945 18797 1655 1 3 . 1 1 89 89 LYS N N 89 122.410 122.410 126.178 -3.768 18797 1656 1 3 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.455 0.025 18797 1657 1 3 . 1 1 89 89 LYS H H 89 8.230 8.230 8.278 -0.048 18797 1658 1 3 . 1 1 90 90 PHE C C 90 175.190 175.190 175.059 0.131 18797 1659 1 3 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.712 -1.682 18797 1660 1 3 . 1 1 90 90 PHE CB C 90 40.510 40.510 42.020 -1.510 18797 1661 1 3 . 1 1 91 91 GLN N N 91 122.380 122.380 126.291 -3.911 18797 1662 1 3 . 1 1 91 91 GLN CA C 91 55.330 55.330 55.134 0.196 18797 1663 1 3 . 1 1 91 91 GLN CB C 91 29.700 29.700 30.646 -0.946 18797 1664 1 3 . 1 1 91 91 GLN H H 91 8.370 8.370 7.825 0.545 18797 1665 1 3 . 1 1 94 94 GLU N N 94 175.780 175.780 120.868 54.912 18797 1666 1 3 . 1 1 94 94 GLU CA C 94 57.030 57.030 58.852 -1.822 18797 1667 1 3 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.737 -0.277 18797 1668 1 3 . 1 1 95 95 TYR N N 95 120.240 120.240 118.093 2.147 18797 1669 1 3 . 1 1 95 95 TYR CA C 95 55.290 55.290 54.938 0.352 18797 1670 1 3 . 1 1 95 95 TYR CB C 95 37.730 37.730 38.640 -0.910 18797 1671 1 3 . 1 1 95 95 TYR H H 95 7.830 7.830 8.057 -0.227 18797 1672 1 3 . 1 1 97 97 THR CA C 97 62.210 62.210 61.048 1.162 18797 1673 1 3 . 1 1 97 97 THR H H 97 174.320 174.320 7.657 166.663 18797 1674 1 3 . 1 1 98 98 TYR N N 98 122.540 122.540 126.067 -3.527 18797 1675 1 3 . 1 1 98 98 TYR C C 98 175.000 175.000 177.771 -2.771 18797 1676 1 3 . 1 1 98 98 TYR CA C 98 57.530 57.530 61.239 -3.709 18797 1677 1 3 . 1 1 98 98 TYR CB C 98 38.350 38.350 37.947 0.404 18797 1678 1 3 . 1 1 98 98 TYR H H 98 8.040 8.040 8.764 -0.724 18797 1679 1 3 . 1 1 101 101 ASP CA C 101 54.020 54.020 55.467 -1.447 18797 1680 1 3 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.049 -1.349 18797 1681 1 3 . 1 1 101 101 ASP H H 101 176.040 176.040 7.837 168.203 18797 1682 1 3 . 1 1 102 102 THR N N 102 117.650 117.650 118.401 -0.751 18797 1683 1 3 . 1 1 102 102 THR C C 102 173.840 173.840 173.225 0.615 18797 1684 1 3 . 1 1 102 102 THR CA C 102 61.590 61.590 61.499 0.091 18797 1685 1 3 . 1 1 102 102 THR CB C 102 69.970 69.970 71.444 -1.474 18797 1686 1 3 . 1 1 102 102 THR H H 102 8.520 8.520 8.274 0.246 18797 1687 1 3 . 1 1 103 103 SER N N 103 119.470 119.470 119.837 -0.367 18797 1688 1 3 . 1 1 103 103 SER C C 103 173.580 173.580 173.069 0.511 18797 1689 1 3 . 1 1 103 103 SER CA C 103 57.310 57.310 57.178 0.133 18797 1690 1 3 . 1 1 103 103 SER H H 103 8.240 8.240 8.568 -0.328 18797 1691 1 3 . 1 1 104 104 ASP N N 104 122.250 122.250 126.892 -4.642 18797 1692 1 3 . 1 1 104 104 ASP C C 104 173.100 173.100 174.211 -1.111 18797 1693 1 3 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.155 -0.555 18797 1694 1 3 . 1 1 104 104 ASP CB C 104 44.060 44.060 43.920 0.140 18797 1695 1 3 . 1 1 104 104 ASP H H 104 8.270 8.270 8.548 -0.278 18797 1696 1 3 . 1 1 105 105 TYR N N 105 116.040 116.040 120.466 -4.426 18797 1697 1 3 . 1 1 105 105 TYR C C 105 175.860 175.860 174.447 1.413 18797 1698 1 3 . 1 1 105 105 TYR CA C 105 55.550 55.550 55.441 0.109 18797 1699 1 3 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.506 0.124 18797 1700 1 3 . 1 1 105 105 TYR H H 105 8.560 8.560 8.171 0.389 18797 1701 1 3 . 1 1 106 106 GLY N N 106 108.500 108.500 108.580 -0.080 18797 1702 1 3 . 1 1 106 106 GLY C C 106 172.030 172.030 171.895 0.135 18797 1703 1 3 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.102 0.388 18797 1704 1 3 . 1 1 106 106 GLY H H 106 9.190 9.190 8.235 0.955 18797 1705 1 3 . 1 1 107 107 PHE N N 107 121.420 121.420 119.106 2.314 18797 1706 1 3 . 1 1 107 107 PHE C C 107 175.430 175.430 175.508 -0.078 18797 1707 1 3 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.778 0.762 18797 1708 1 3 . 1 1 107 107 PHE CB C 107 40.200 40.200 40.884 -0.684 18797 1709 1 3 . 1 1 107 107 PHE H H 107 8.860 8.860 8.624 0.236 18797 1710 1 3 . 1 1 108 108 SER N N 108 123.250 123.250 118.178 5.072 18797 1711 1 3 . 1 1 108 108 SER C C 108 171.430 171.430 172.946 -1.516 18797 1712 1 3 . 1 1 108 108 SER CA C 108 56.100 56.100 57.430 -1.330 18797 1713 1 3 . 1 1 108 108 SER CB C 108 65.720 65.720 65.875 -0.155 18797 1714 1 3 . 1 1 108 108 SER H H 108 8.110 8.110 8.738 -0.628 18797 1715 1 3 . 1 1 109 109 TYR N N 109 117.840 117.840 125.417 -7.577 18797 1716 1 3 . 1 1 109 109 TYR C C 109 173.560 173.560 173.588 -0.028 18797 1717 1 3 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.394 -1.074 18797 1718 1 3 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.899 -3.339 18797 1719 1 3 . 1 1 109 109 TYR H H 109 8.480 8.480 8.501 -0.021 18797 1720 1 3 . 1 1 110 110 GLY N N 110 106.400 106.400 110.950 -4.550 18797 1721 1 3 . 1 1 110 110 GLY C C 110 171.350 171.350 171.103 0.247 18797 1722 1 3 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.104 2.056 18797 1723 1 3 . 1 1 110 110 GLY H H 110 8.980 8.980 7.909 1.071 18797 1724 1 3 . 1 1 111 111 ALA N N 111 119.140 119.140 121.985 -2.845 18797 1725 1 3 . 1 1 111 111 ALA C C 111 174.640 174.640 174.839 -0.199 18797 1726 1 3 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.444 0.526 18797 1727 1 3 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.790 -0.640 18797 1728 1 3 . 1 1 111 111 ALA H H 111 8.390 8.390 8.026 0.364 18797 1729 1 3 . 1 1 112 112 GLY N N 112 106.070 106.070 106.719 -0.649 18797 1730 1 3 . 1 1 112 112 GLY C C 112 169.770 169.770 171.778 -2.008 18797 1731 1 3 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.578 0.692 18797 1732 1 3 . 1 1 112 112 GLY H H 112 7.820 7.820 7.543 0.277 18797 1733 1 3 . 1 1 113 113 LEU N N 113 116.370 116.370 119.656 -3.286 18797 1734 1 3 . 1 1 113 113 LEU C C 113 175.090 175.090 175.595 -0.505 18797 1735 1 3 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.377 -0.688 18797 1736 1 3 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.795 0.765 18797 1737 1 3 . 1 1 113 113 LEU H H 113 8.930 8.930 8.405 0.525 18797 1738 1 3 . 1 1 114 114 GLN N N 114 115.860 115.860 120.788 -4.928 18797 1739 1 3 . 1 1 114 114 GLN C C 114 176.910 176.910 174.461 2.449 18797 1740 1 3 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.189 -0.459 18797 1741 1 3 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.340 -0.050 18797 1742 1 3 . 1 1 114 114 GLN H H 114 7.860 7.860 8.692 -0.832 18797 1743 1 3 . 1 1 115 115 PHE N N 115 126.580 126.580 120.407 6.173 18797 1744 1 3 . 1 1 115 115 PHE C C 115 175.740 175.740 172.928 2.812 18797 1745 1 3 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.734 -1.534 18797 1746 1 3 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.160 2.210 18797 1747 1 3 . 1 1 115 115 PHE H H 115 9.750 9.750 8.093 1.657 18797 1748 1 3 . 1 1 116 116 ASN N N 116 119.920 119.920 123.529 -3.609 18797 1749 1 3 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.492 0.708 18797 1750 1 3 . 1 1 116 116 ASN CB C 116 40.650 40.650 41.535 -0.885 18797 1751 1 3 . 1 1 116 116 ASN H H 116 9.450 9.450 8.986 0.464 18797 1752 1 3 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.582 2.118 18797 1753 1 3 . 1 1 118 118 MET N N 118 110.530 110.530 118.601 -8.071 18797 1754 1 3 . 1 1 118 118 MET C C 118 176.130 176.130 177.150 -1.020 18797 1755 1 3 . 1 1 118 118 MET CA C 118 53.980 53.980 57.199 -3.219 18797 1756 1 3 . 1 1 118 118 MET CB C 118 36.310 36.310 32.854 3.456 18797 1757 1 3 . 1 1 118 118 MET H H 118 7.310 7.310 8.256 -0.946 18797 1758 1 3 . 1 1 119 119 GLU N N 119 120.320 120.320 117.575 2.745 18797 1759 1 3 . 1 1 119 119 GLU C C 119 176.810 176.810 176.914 -0.104 18797 1760 1 3 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.343 2.256 18797 1761 1 3 . 1 1 119 119 GLU CB C 119 29.150 29.150 28.883 0.267 18797 1762 1 3 . 1 1 119 119 GLU H H 119 9.120 9.120 8.986 0.134 18797 1763 1 3 . 1 1 120 120 ASN N N 120 112.490 112.490 117.370 -4.880 18797 1764 1 3 . 1 1 120 120 ASN C C 120 174.080 174.080 176.328 -2.248 18797 1765 1 3 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.335 -1.935 18797 1766 1 3 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.050 0.780 18797 1767 1 3 . 1 1 120 120 ASN H H 120 8.430 8.430 8.671 -0.241 18797 1768 1 3 . 1 1 121 121 VAL N N 121 117.760 117.760 118.748 -0.988 18797 1769 1 3 . 1 1 121 121 VAL C C 121 174.750 174.750 175.215 -0.465 18797 1770 1 3 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.218 -1.528 18797 1771 1 3 . 1 1 121 121 VAL CB C 121 34.900 34.900 30.025 4.875 18797 1772 1 3 . 1 1 121 121 VAL H H 121 7.500 7.500 7.241 0.259 18797 1773 1 3 . 1 1 122 122 ALA N N 122 127.190 127.190 122.864 4.326 18797 1774 1 3 . 1 1 122 122 ALA C C 122 175.140 175.140 175.196 -0.056 18797 1775 1 3 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.534 -1.144 18797 1776 1 3 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.648 1.172 18797 1777 1 3 . 1 1 122 122 ALA H H 122 8.230 8.230 7.314 0.916 18797 1778 1 3 . 1 1 123 123 LEU N N 123 120.270 120.270 122.628 -2.358 18797 1779 1 3 . 1 1 123 123 LEU C C 123 174.310 174.310 175.332 -1.022 18797 1780 1 3 . 1 1 123 123 LEU CA C 123 53.660 53.660 52.944 0.716 18797 1781 1 3 . 1 1 123 123 LEU CB C 123 44.510 44.510 45.285 -0.775 18797 1782 1 3 . 1 1 123 123 LEU H H 123 8.910 8.910 7.590 1.320 18797 1783 1 3 . 1 1 124 124 ASP N N 124 127.350 127.350 120.046 7.304 18797 1784 1 3 . 1 1 124 124 ASP C C 124 171.830 171.830 174.903 -3.073 18797 1785 1 3 . 1 1 124 124 ASP CA C 124 53.820 53.820 53.314 0.506 18797 1786 1 3 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.696 2.794 18797 1787 1 3 . 1 1 124 124 ASP H H 124 8.580 8.580 7.986 0.594 18797 1788 1 3 . 1 1 125 125 PHE N N 125 123.390 123.390 122.233 1.157 18797 1789 1 3 . 1 1 125 125 PHE C C 125 174.130 174.130 174.987 -0.857 18797 1790 1 3 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.454 -0.794 18797 1791 1 3 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.267 0.434 18797 1792 1 3 . 1 1 125 125 PHE H H 125 8.670 8.670 8.509 0.161 18797 1793 1 3 . 1 1 126 126 SER N N 126 118.680 118.680 116.226 2.454 18797 1794 1 3 . 1 1 126 126 SER C C 126 169.980 169.980 172.396 -2.416 18797 1795 1 3 . 1 1 126 126 SER CA C 126 58.120 58.120 57.406 0.714 18797 1796 1 3 . 1 1 126 126 SER CB C 126 66.950 66.950 66.844 0.106 18797 1797 1 3 . 1 1 126 126 SER H H 126 9.390 9.390 8.569 0.821 18797 1798 1 3 . 1 1 127 127 TYR N N 127 119.080 119.080 120.260 -1.180 18797 1799 1 3 . 1 1 127 127 TYR C C 127 174.390 174.390 174.845 -0.455 18797 1800 1 3 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.171 -0.731 18797 1801 1 3 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.644 1.456 18797 1802 1 3 . 1 1 127 127 TYR H H 127 8.610 8.610 8.563 0.047 18797 1803 1 3 . 1 1 128 128 GLU N N 128 130.070 130.070 121.508 8.562 18797 1804 1 3 . 1 1 128 128 GLU C C 128 172.590 172.590 175.209 -2.619 18797 1805 1 3 . 1 1 128 128 GLU CA C 128 54.130 54.130 53.999 0.131 18797 1806 1 3 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.730 -0.230 18797 1807 1 3 . 1 1 128 128 GLU H H 128 8.510 8.510 8.578 -0.068 18797 1808 1 3 . 1 1 129 129 GLN N N 129 128.670 128.670 124.133 4.537 18797 1809 1 3 . 1 1 129 129 GLN C C 129 173.690 173.690 174.868 -1.178 18797 1810 1 3 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.944 -0.734 18797 1811 1 3 . 1 1 129 129 GLN CB C 129 31.050 31.050 33.061 -2.011 18797 1812 1 3 . 1 1 129 129 GLN H H 129 9.330 9.330 8.738 0.592 18797 1813 1 3 . 1 1 130 130 SER N N 130 118.630 118.630 117.658 0.972 18797 1814 1 3 . 1 1 130 130 SER C C 130 174.210 174.210 174.167 0.043 18797 1815 1 3 . 1 1 130 130 SER CA C 130 56.450 56.450 56.566 -0.116 18797 1816 1 3 . 1 1 130 130 SER CB C 130 66.260 66.260 64.761 1.499 18797 1817 1 3 . 1 1 130 130 SER H H 130 8.580 8.580 8.291 0.289 18797 1818 1 3 . 1 1 131 131 ARG N N 131 126.850 126.850 125.537 1.313 18797 1819 1 3 . 1 1 131 131 ARG C C 131 174.740 174.740 176.126 -1.386 18797 1820 1 3 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.592 -0.252 18797 1821 1 3 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.553 -0.643 18797 1822 1 3 . 1 1 131 131 ARG H H 131 7.690 7.690 8.700 -1.010 18797 1823 1 3 . 1 1 132 132 ILE N N 132 129.470 129.470 124.893 4.577 18797 1824 1 3 . 1 1 132 132 ILE C C 132 175.500 175.500 176.471 -0.971 18797 1825 1 3 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.556 -2.666 18797 1826 1 3 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.456 0.864 18797 1827 1 3 . 1 1 132 132 ILE H H 132 8.730 8.730 8.661 0.069 18797 1828 1 3 . 1 1 133 133 ARG N N 133 127.220 127.220 128.485 -1.265 18797 1829 1 3 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.453 2.656 18797 1830 1 3 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.911 -3.591 18797 1831 1 3 . 1 1 133 133 ARG H H 133 9.400 9.400 8.339 1.061 18797 1832 1 3 . 1 1 134 134 SER C C 134 173.290 173.290 173.264 0.026 18797 1833 1 3 . 1 1 134 134 SER CA C 134 58.490 58.490 60.279 -1.789 18797 1834 1 3 . 1 1 134 134 SER CB C 134 62.860 62.860 63.080 -0.220 18797 1835 1 3 . 1 1 135 135 VAL N N 135 124.810 124.810 114.127 10.683 18797 1836 1 3 . 1 1 135 135 VAL C C 135 174.650 174.650 174.434 0.216 18797 1837 1 3 . 1 1 135 135 VAL CA C 135 61.870 61.870 60.547 1.323 18797 1838 1 3 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.536 -2.476 18797 1839 1 3 . 1 1 135 135 VAL H H 135 8.270 8.270 7.250 1.020 18797 1840 1 3 . 1 1 136 136 ASP N N 136 127.750 127.750 124.499 3.251 18797 1841 1 3 . 1 1 136 136 ASP C C 136 175.130 175.130 175.987 -0.857 18797 1842 1 3 . 1 1 136 136 ASP CA C 136 54.220 54.220 53.079 1.141 18797 1843 1 3 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.391 -1.641 18797 1844 1 3 . 1 1 136 136 ASP H H 136 8.010 8.010 8.300 -0.290 18797 1845 1 3 . 1 1 137 137 VAL N N 137 124.520 124.520 121.311 3.209 18797 1846 1 3 . 1 1 137 137 VAL C C 137 174.690 174.690 174.787 -0.097 18797 1847 1 3 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.037 0.413 18797 1848 1 3 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.875 -1.075 18797 1849 1 3 . 1 1 137 137 VAL H H 137 8.720 8.720 7.702 1.018 18797 1850 1 3 . 1 1 138 138 GLY N N 138 116.920 116.920 111.341 5.579 18797 1851 1 3 . 1 1 138 138 GLY C C 138 172.930 172.930 173.406 -0.476 18797 1852 1 3 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.413 0.068 18797 1853 1 3 . 1 1 138 138 GLY H H 138 8.240 8.240 8.399 -0.159 18797 1854 1 3 . 1 1 139 139 THR N N 139 125.070 125.070 122.625 2.445 18797 1855 1 3 . 1 1 139 139 THR C C 139 171.920 171.920 173.721 -1.801 18797 1856 1 3 . 1 1 139 139 THR CA C 139 60.890 60.890 61.325 -0.435 18797 1857 1 3 . 1 1 139 139 THR CB C 139 70.290 70.290 71.845 -1.555 18797 1858 1 3 . 1 1 139 139 THR H H 139 8.710 8.710 8.216 0.494 18797 1859 1 3 . 1 1 140 140 TRP N N 140 125.840 125.840 127.185 -1.345 18797 1860 1 3 . 1 1 140 140 TRP C C 140 175.070 175.070 175.433 -0.363 18797 1861 1 3 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.788 -0.658 18797 1862 1 3 . 1 1 140 140 TRP CB C 140 32.100 32.100 31.253 0.847 18797 1863 1 3 . 1 1 140 140 TRP H H 140 8.330 8.330 8.859 -0.529 18797 1864 1 3 . 1 1 141 141 ILE N N 141 123.240 123.240 122.763 0.477 18797 1865 1 3 . 1 1 141 141 ILE C C 141 174.870 174.870 174.501 0.369 18797 1866 1 3 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.831 0.558 18797 1867 1 3 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.512 -0.882 18797 1868 1 3 . 1 1 141 141 ILE H H 141 8.980 8.980 8.766 0.214 18797 1869 1 3 . 1 1 142 142 ALA N N 142 127.680 127.680 129.043 -1.363 18797 1870 1 3 . 1 1 142 142 ALA C C 142 175.700 175.700 175.787 -0.087 18797 1871 1 3 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.118 0.412 18797 1872 1 3 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.450 -0.240 18797 1873 1 3 . 1 1 142 142 ALA H H 142 8.350 8.350 8.483 -0.133 18797 1874 1 3 . 1 1 143 143 GLY N N 143 109.030 109.030 109.888 -0.858 18797 1875 1 3 . 1 1 143 143 GLY C C 143 172.090 172.090 171.923 0.167 18797 1876 1 3 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.042 1.388 18797 1877 1 3 . 1 1 143 143 GLY H H 143 9.520 9.520 8.088 1.432 18797 1878 1 3 . 1 1 144 144 VAL N N 144 114.110 114.110 116.144 -2.034 18797 1879 1 3 . 1 1 144 144 VAL C C 144 174.010 174.010 174.561 -0.551 18797 1880 1 3 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.655 -0.385 18797 1881 1 3 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.609 0.881 18797 1882 1 3 . 1 1 144 144 VAL H H 144 8.750 8.750 8.546 0.204 18797 1883 1 3 . 1 1 145 145 GLY N N 145 107.360 107.360 111.154 -3.794 18797 1884 1 3 . 1 1 145 145 GLY C C 145 171.210 171.210 171.724 -0.514 18797 1885 1 3 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.768 2.002 18797 1886 1 3 . 1 1 145 145 GLY H H 145 8.590 8.590 8.336 0.254 18797 1887 1 3 . 1 1 146 146 TYR N N 146 121.960 121.960 114.577 7.383 18797 1888 1 3 . 1 1 146 146 TYR C C 146 172.440 172.440 173.505 -1.065 18797 1889 1 3 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.355 -0.105 18797 1890 1 3 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.824 2.446 18797 1891 1 3 . 1 1 146 146 TYR H H 146 8.370 8.370 7.761 0.609 18797 1892 1 3 . 1 1 147 147 ARG N N 147 129.590 129.590 121.643 7.947 18797 1893 1 3 . 1 1 147 147 ARG C C 147 173.850 173.850 176.012 -2.162 18797 1894 1 3 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.600 -1.240 18797 1895 1 3 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.718 -1.298 18797 1896 1 3 . 1 1 147 147 ARG H H 147 7.690 7.690 8.403 -0.713 18797 1897 1 4 . 1 1 2 2 THR N N 2 114.280 114.280 111.943 2.337 18797 1898 1 4 . 1 1 2 2 THR C C 2 173.570 173.570 173.702 -0.132 18797 1899 1 4 . 1 1 2 2 THR CA C 2 61.040 61.040 62.549 -1.509 18797 1900 1 4 . 1 1 2 2 THR CB C 2 71.930 71.930 69.599 2.331 18797 1901 1 4 . 1 1 2 2 THR H H 2 8.490 8.490 8.194 0.296 18797 1902 1 4 . 1 1 3 3 SER N N 3 122.430 122.430 115.888 6.542 18797 1903 1 4 . 1 1 3 3 SER C C 3 172.590 172.590 172.559 0.031 18797 1904 1 4 . 1 1 3 3 SER CA C 3 56.760 56.760 57.290 -0.530 18797 1905 1 4 . 1 1 3 3 SER CB C 3 65.480 65.480 65.720 -0.240 18797 1906 1 4 . 1 1 3 3 SER H H 3 9.000 9.000 7.705 1.295 18797 1907 1 4 . 1 1 4 4 THR N N 4 117.240 117.240 112.269 4.971 18797 1908 1 4 . 1 1 4 4 THR C C 4 174.640 174.640 173.522 1.118 18797 1909 1 4 . 1 1 4 4 THR CA C 4 61.390 61.390 59.869 1.521 18797 1910 1 4 . 1 1 4 4 THR CB C 4 70.680 70.680 71.907 -1.227 18797 1911 1 4 . 1 1 4 4 THR H H 4 8.610 8.610 8.001 0.609 18797 1912 1 4 . 1 1 5 5 VAL N N 5 129.440 129.440 122.293 7.147 18797 1913 1 4 . 1 1 5 5 VAL C C 5 174.770 174.770 174.871 -0.101 18797 1914 1 4 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.321 -0.561 18797 1915 1 4 . 1 1 5 5 VAL CB C 5 33.490 33.490 34.146 -0.656 18797 1916 1 4 . 1 1 5 5 VAL H H 5 8.750 8.750 7.746 1.004 18797 1917 1 4 . 1 1 6 6 THR N N 6 116.430 116.430 122.497 -6.067 18797 1918 1 4 . 1 1 6 6 THR C C 6 172.930 172.930 173.232 -0.302 18797 1919 1 4 . 1 1 6 6 THR CA C 6 58.590 58.590 60.888 -2.298 18797 1920 1 4 . 1 1 6 6 THR CB C 6 70.930 70.930 71.961 -1.031 18797 1921 1 4 . 1 1 6 6 THR H H 6 8.890 8.890 7.947 0.943 18797 1922 1 4 . 1 1 7 7 GLY N N 7 105.590 105.590 110.095 -4.505 18797 1923 1 4 . 1 1 7 7 GLY C C 7 172.430 172.430 172.053 0.377 18797 1924 1 4 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.878 0.442 18797 1925 1 4 . 1 1 7 7 GLY H H 7 8.760 8.760 8.383 0.377 18797 1926 1 4 . 1 1 8 8 GLY N N 8 106.530 106.530 109.292 -2.762 18797 1927 1 4 . 1 1 8 8 GLY C C 8 173.030 173.030 171.938 1.092 18797 1928 1 4 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.288 1.642 18797 1929 1 4 . 1 1 8 8 GLY H H 8 9.100 9.100 7.978 1.122 18797 1930 1 4 . 1 1 9 9 TYR N N 9 121.730 121.730 118.984 2.746 18797 1931 1 4 . 1 1 9 9 TYR C C 9 172.390 172.390 174.299 -1.909 18797 1932 1 4 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.272 0.569 18797 1933 1 4 . 1 1 9 9 TYR CB C 9 41.080 41.080 41.611 -0.531 18797 1934 1 4 . 1 1 9 9 TYR H H 9 8.410 8.410 8.296 0.114 18797 1935 1 4 . 1 1 10 10 ALA N N 10 128.460 128.460 124.516 3.944 18797 1936 1 4 . 1 1 10 10 ALA C C 10 174.020 174.020 175.935 -1.915 18797 1937 1 4 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.354 -1.144 18797 1938 1 4 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.083 0.137 18797 1939 1 4 . 1 1 10 10 ALA H H 10 6.910 6.910 8.985 -2.075 18797 1940 1 4 . 1 1 11 11 GLN N N 11 118.830 118.830 122.592 -3.762 18797 1941 1 4 . 1 1 11 11 GLN C C 11 175.650 175.650 175.471 0.179 18797 1942 1 4 . 1 1 11 11 GLN CA C 11 53.830 53.830 54.261 -0.431 18797 1943 1 4 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.674 -0.614 18797 1944 1 4 . 1 1 11 11 GLN H H 11 8.100 8.100 8.434 -0.334 18797 1945 1 4 . 1 1 12 12 SER N N 12 124.200 124.200 119.858 4.342 18797 1946 1 4 . 1 1 12 12 SER C C 12 172.710 172.710 173.916 -1.206 18797 1947 1 4 . 1 1 12 12 SER CA C 12 57.190 57.190 57.031 0.159 18797 1948 1 4 . 1 1 12 12 SER CB C 12 64.180 64.180 65.669 -1.489 18797 1949 1 4 . 1 1 12 12 SER H H 12 9.160 9.160 8.526 0.634 18797 1950 1 4 . 1 1 13 13 ASP N N 13 124.950 124.950 124.451 0.499 18797 1951 1 4 . 1 1 13 13 ASP C C 13 174.860 174.860 175.754 -0.894 18797 1952 1 4 . 1 1 13 13 ASP CA C 13 52.960 52.960 54.105 -1.145 18797 1953 1 4 . 1 1 13 13 ASP CB C 13 42.920 42.920 41.835 1.085 18797 1954 1 4 . 1 1 13 13 ASP H H 13 9.070 9.070 8.096 0.974 18797 1955 1 4 . 1 1 14 14 ALA N N 14 128.730 128.730 126.292 2.438 18797 1956 1 4 . 1 1 14 14 ALA C C 14 176.230 176.230 177.227 -0.997 18797 1957 1 4 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.704 -1.894 18797 1958 1 4 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.624 -1.124 18797 1959 1 4 . 1 1 14 14 ALA H H 14 8.560 8.560 8.157 0.403 18797 1960 1 4 . 1 1 15 15 GLN N N 15 122.750 122.750 122.227 0.523 18797 1961 1 4 . 1 1 15 15 GLN C C 15 176.660 176.660 176.431 0.229 18797 1962 1 4 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.614 2.506 18797 1963 1 4 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.644 -2.484 18797 1964 1 4 . 1 1 15 15 GLN H H 15 8.340 8.340 8.587 -0.247 18797 1965 1 4 . 1 1 16 16 GLY N N 16 112.800 112.800 109.251 3.549 18797 1966 1 4 . 1 1 16 16 GLY C C 16 174.400 174.400 173.810 0.590 18797 1967 1 4 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.585 -0.405 18797 1968 1 4 . 1 1 16 16 GLY H H 16 8.650 8.650 8.571 0.079 18797 1969 1 4 . 1 1 17 17 GLN N N 17 119.300 119.300 118.506 0.794 18797 1970 1 4 . 1 1 17 17 GLN C C 17 175.720 175.720 174.865 0.855 18797 1971 1 4 . 1 1 17 17 GLN CA C 17 54.600 54.600 57.336 -2.736 18797 1972 1 4 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.138 5.662 18797 1973 1 4 . 1 1 17 17 GLN H H 17 8.080 8.080 8.634 -0.554 18797 1974 1 4 . 1 1 18 18 MET N N 18 120.170 120.170 115.820 4.350 18797 1975 1 4 . 1 1 18 18 MET C C 18 175.400 175.400 174.229 1.171 18797 1976 1 4 . 1 1 18 18 MET CA C 18 55.980 55.980 54.679 1.301 18797 1977 1 4 . 1 1 18 18 MET CB C 18 35.590 35.590 35.752 -0.161 18797 1978 1 4 . 1 1 18 18 MET H H 18 8.370 8.370 7.566 0.804 18797 1979 1 4 . 1 1 19 19 ASN N N 19 117.900 117.900 119.262 -1.362 18797 1980 1 4 . 1 1 19 19 ASN C C 19 174.400 174.400 174.883 -0.483 18797 1981 1 4 . 1 1 19 19 ASN CA C 19 52.300 52.300 51.928 0.372 18797 1982 1 4 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.789 -0.389 18797 1983 1 4 . 1 1 19 19 ASN H H 19 7.990 7.990 8.455 -0.465 18797 1984 1 4 . 1 1 20 20 LYS N N 20 120.800 120.800 120.448 0.352 18797 1985 1 4 . 1 1 20 20 LYS C C 20 176.410 176.410 176.044 0.366 18797 1986 1 4 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.066 -1.366 18797 1987 1 4 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.611 -1.711 18797 1988 1 4 . 1 1 20 20 LYS H H 20 8.340 8.340 8.534 -0.194 18797 1989 1 4 . 1 1 21 21 MET N N 21 120.500 120.500 117.285 3.215 18797 1990 1 4 . 1 1 21 21 MET C C 21 175.270 175.270 175.341 -0.071 18797 1991 1 4 . 1 1 21 21 MET CA C 21 54.800 54.800 54.451 0.349 18797 1992 1 4 . 1 1 21 21 MET CB C 21 34.730 34.730 37.414 -2.684 18797 1993 1 4 . 1 1 21 21 MET H H 21 8.580 8.580 7.823 0.757 18797 1994 1 4 . 1 1 22 22 GLY N N 22 111.280 111.280 107.766 3.514 18797 1995 1 4 . 1 1 22 22 GLY C C 22 174.030 174.030 172.151 1.879 18797 1996 1 4 . 1 1 22 22 GLY CA C 22 43.810 43.810 44.036 -0.226 18797 1997 1 4 . 1 1 22 22 GLY H H 22 8.430 8.430 8.334 0.096 18797 1998 1 4 . 1 1 23 23 GLY N N 23 120.170 120.170 109.363 10.807 18797 1999 1 4 . 1 1 23 23 GLY C C 23 171.850 171.850 171.886 -0.036 18797 2000 1 4 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.008 2.142 18797 2001 1 4 . 1 1 23 23 GLY H H 23 8.180 8.180 8.092 0.088 18797 2002 1 4 . 1 1 24 24 PHE N N 24 121.370 121.370 120.672 0.698 18797 2003 1 4 . 1 1 24 24 PHE C C 24 171.570 171.570 174.616 -3.046 18797 2004 1 4 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.231 -1.501 18797 2005 1 4 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.182 1.328 18797 2006 1 4 . 1 1 24 24 PHE H H 24 9.230 9.230 8.708 0.522 18797 2007 1 4 . 1 1 25 25 ASN N N 25 118.950 118.950 120.177 -1.227 18797 2008 1 4 . 1 1 25 25 ASN C C 25 172.080 172.080 173.521 -1.441 18797 2009 1 4 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.695 -0.825 18797 2010 1 4 . 1 1 25 25 ASN CB C 25 46.450 46.450 41.646 4.804 18797 2011 1 4 . 1 1 25 25 ASN H H 25 8.520 8.520 8.592 -0.072 18797 2012 1 4 . 1 1 26 26 LEU N N 26 126.150 126.150 122.940 3.210 18797 2013 1 4 . 1 1 26 26 LEU C C 26 175.620 175.620 174.948 0.672 18797 2014 1 4 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.733 -0.243 18797 2015 1 4 . 1 1 26 26 LEU CB C 26 46.630 46.630 46.207 0.423 18797 2016 1 4 . 1 1 26 26 LEU H H 26 9.340 9.340 8.233 1.107 18797 2017 1 4 . 1 1 27 27 LYS N N 27 117.980 117.980 123.463 -5.483 18797 2018 1 4 . 1 1 27 27 LYS C C 27 175.120 175.120 175.282 -0.162 18797 2019 1 4 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.350 0.840 18797 2020 1 4 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.065 0.505 18797 2021 1 4 . 1 1 27 27 LYS H H 27 8.850 8.850 8.179 0.671 18797 2022 1 4 . 1 1 28 28 TYR N N 28 120.820 120.820 121.030 -0.210 18797 2023 1 4 . 1 1 28 28 TYR C C 28 172.480 172.480 174.724 -2.244 18797 2024 1 4 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.436 -0.156 18797 2025 1 4 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.111 -0.211 18797 2026 1 4 . 1 1 28 28 TYR H H 28 8.430 8.430 8.600 -0.170 18797 2027 1 4 . 1 1 29 29 ARG N N 29 129.660 129.660 121.494 8.166 18797 2028 1 4 . 1 1 29 29 ARG C C 29 172.780 172.780 174.079 -1.299 18797 2029 1 4 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.844 -0.844 18797 2030 1 4 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.948 -0.938 18797 2031 1 4 . 1 1 29 29 ARG H H 29 8.670 8.670 8.017 0.653 18797 2032 1 4 . 1 1 30 30 TYR N N 30 127.210 127.210 122.438 4.772 18797 2033 1 4 . 1 1 30 30 TYR C C 30 175.000 175.000 175.558 -0.558 18797 2034 1 4 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.810 0.020 18797 2035 1 4 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.872 1.268 18797 2036 1 4 . 1 1 30 30 TYR H H 30 8.930 8.930 8.187 0.743 18797 2037 1 4 . 1 1 31 31 GLU N N 31 128.090 128.090 122.614 5.476 18797 2038 1 4 . 1 1 31 31 GLU C C 31 174.250 174.250 176.507 -2.257 18797 2039 1 4 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.483 -0.853 18797 2040 1 4 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.263 2.227 18797 2041 1 4 . 1 1 31 31 GLU H H 31 8.170 8.170 8.369 -0.199 18797 2042 1 4 . 1 1 32 32 GLU N N 32 122.610 122.610 124.458 -1.848 18797 2043 1 4 . 1 1 32 32 GLU C C 32 176.920 176.920 174.988 1.932 18797 2044 1 4 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.178 -0.608 18797 2045 1 4 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.440 -1.670 18797 2046 1 4 . 1 1 32 32 GLU H H 32 9.120 9.120 8.435 0.685 18797 2047 1 4 . 1 1 33 33 ASP N N 33 121.920 121.920 121.020 0.900 18797 2048 1 4 . 1 1 33 33 ASP C C 33 176.990 176.990 176.847 0.143 18797 2049 1 4 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.829 2.041 18797 2050 1 4 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.583 -1.313 18797 2051 1 4 . 1 1 33 33 ASP H H 33 8.600 8.600 8.409 0.191 18797 2052 1 4 . 1 1 34 34 ASN N N 34 115.300 115.300 117.393 -2.093 18797 2053 1 4 . 1 1 34 34 ASN C C 34 174.280 174.280 176.539 -2.259 18797 2054 1 4 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.373 -2.013 18797 2055 1 4 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.505 -0.555 18797 2056 1 4 . 1 1 34 34 ASN H H 34 8.420 8.420 8.608 -0.188 18797 2057 1 4 . 1 1 35 35 SER N N 35 112.970 112.970 113.904 -0.934 18797 2058 1 4 . 1 1 35 35 SER CA C 35 54.260 54.260 58.581 -4.321 18797 2059 1 4 . 1 1 35 35 SER CB C 35 64.920 64.920 63.437 1.483 18797 2060 1 4 . 1 1 35 35 SER H H 35 7.270 7.270 7.948 -0.678 18797 2061 1 4 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.082 1.278 18797 2062 1 4 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.787 -1.317 18797 2063 1 4 . 1 1 37 37 LEU N N 37 123.000 123.000 122.822 0.178 18797 2064 1 4 . 1 1 37 37 LEU C C 37 176.300 176.300 177.559 -1.259 18797 2065 1 4 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.308 -0.468 18797 2066 1 4 . 1 1 37 37 LEU CB C 37 43.690 43.690 43.084 0.606 18797 2067 1 4 . 1 1 37 37 LEU H H 37 7.910 7.910 8.462 -0.552 18797 2068 1 4 . 1 1 38 38 GLY N N 38 117.320 117.320 108.417 8.903 18797 2069 1 4 . 1 1 38 38 GLY C C 38 172.340 172.340 173.458 -1.118 18797 2070 1 4 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.406 0.025 18797 2071 1 4 . 1 1 38 38 GLY H H 38 9.110 9.110 8.146 0.964 18797 2072 1 4 . 1 1 39 39 VAL N N 39 116.550 116.550 125.528 -8.978 18797 2073 1 4 . 1 1 39 39 VAL C C 39 171.720 171.720 175.026 -3.306 18797 2074 1 4 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.477 -2.477 18797 2075 1 4 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.711 2.899 18797 2076 1 4 . 1 1 39 39 VAL H H 39 7.980 7.980 8.230 -0.250 18797 2077 1 4 . 1 1 40 40 ILE N N 40 125.640 125.640 126.904 -1.264 18797 2078 1 4 . 1 1 40 40 ILE C C 40 171.600 171.600 174.898 -3.298 18797 2079 1 4 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.445 -0.905 18797 2080 1 4 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.178 2.952 18797 2081 1 4 . 1 1 40 40 ILE H H 40 9.160 9.160 8.320 0.840 18797 2082 1 4 . 1 1 41 41 GLY N N 41 111.830 111.830 112.772 -0.942 18797 2083 1 4 . 1 1 41 41 GLY C C 41 172.000 172.000 171.897 0.103 18797 2084 1 4 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.086 -0.936 18797 2085 1 4 . 1 1 41 41 GLY H H 41 8.930 8.930 8.476 0.454 18797 2086 1 4 . 1 1 42 42 SER N N 42 116.940 116.940 118.066 -1.126 18797 2087 1 4 . 1 1 42 42 SER C C 42 172.100 172.100 172.371 -0.271 18797 2088 1 4 . 1 1 42 42 SER CA C 42 56.220 56.220 56.335 -0.115 18797 2089 1 4 . 1 1 42 42 SER CB C 42 62.920 62.920 65.710 -2.790 18797 2090 1 4 . 1 1 42 42 SER H H 42 9.190 9.190 8.277 0.913 18797 2091 1 4 . 1 1 43 43 PHE N N 43 129.230 129.230 123.899 5.331 18797 2092 1 4 . 1 1 43 43 PHE C C 43 172.920 172.920 175.271 -2.351 18797 2093 1 4 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.120 -0.160 18797 2094 1 4 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.348 0.082 18797 2095 1 4 . 1 1 43 43 PHE H H 43 9.300 9.300 8.494 0.806 18797 2096 1 4 . 1 1 44 44 THR N N 44 126.530 126.530 118.463 8.067 18797 2097 1 4 . 1 1 44 44 THR C C 44 171.340 171.340 173.184 -1.844 18797 2098 1 4 . 1 1 44 44 THR CA C 44 60.410 60.410 60.986 -0.577 18797 2099 1 4 . 1 1 44 44 THR CB C 44 70.220 70.220 71.415 -1.195 18797 2100 1 4 . 1 1 44 44 THR H H 44 8.820 8.820 8.279 0.541 18797 2101 1 4 . 1 1 45 45 TYR N N 45 125.840 125.840 125.224 0.616 18797 2102 1 4 . 1 1 45 45 TYR C C 45 174.000 174.000 175.554 -1.554 18797 2103 1 4 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.240 -0.570 18797 2104 1 4 . 1 1 45 45 TYR CB C 45 41.000 41.000 41.854 -0.854 18797 2105 1 4 . 1 1 45 45 TYR H H 45 8.210 8.210 8.763 -0.553 18797 2106 1 4 . 1 1 46 46 THR N N 46 117.670 117.670 120.374 -2.704 18797 2107 1 4 . 1 1 46 46 THR C C 46 171.910 171.910 173.661 -1.751 18797 2108 1 4 . 1 1 46 46 THR CA C 46 58.720 58.720 61.050 -2.330 18797 2109 1 4 . 1 1 46 46 THR CB C 46 71.710 71.710 71.371 0.339 18797 2110 1 4 . 1 1 46 46 THR H H 46 8.550 8.550 8.485 0.065 18797 2111 1 4 . 1 1 47 47 GLU N N 47 112.160 112.160 122.389 -10.229 18797 2112 1 4 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.010 0.570 18797 2113 1 4 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.519 -1.849 18797 2114 1 4 . 1 1 47 47 GLU H H 47 8.170 8.170 8.781 -0.611 18797 2115 1 4 . 1 1 49 49 SER CA C 49 58.210 58.210 59.467 -1.257 18797 2116 1 4 . 1 1 49 49 SER CB C 49 64.070 64.070 63.571 0.499 18797 2117 1 4 . 1 1 49 49 SER H H 49 174.130 174.130 9.055 165.075 18797 2118 1 4 . 1 1 50 50 ARG N N 50 124.000 124.000 121.950 2.050 18797 2119 1 4 . 1 1 50 50 ARG C C 50 176.270 176.270 176.777 -0.507 18797 2120 1 4 . 1 1 50 50 ARG CA C 50 55.960 55.960 58.126 -2.166 18797 2121 1 4 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.744 0.236 18797 2122 1 4 . 1 1 50 50 ARG H H 50 8.600 8.600 8.594 0.006 18797 2123 1 4 . 1 1 51 51 THR N N 51 115.720 115.720 115.634 0.086 18797 2124 1 4 . 1 1 51 51 THR C C 51 174.400 174.400 173.811 0.589 18797 2125 1 4 . 1 1 51 51 THR CA C 51 61.820 61.820 63.768 -1.948 18797 2126 1 4 . 1 1 51 51 THR H H 51 8.240 8.240 7.766 0.474 18797 2127 1 4 . 1 1 52 52 ALA CA C 52 52.000 52.000 49.792 2.208 18797 2128 1 4 . 1 1 52 52 ALA CB C 52 18.800 18.800 21.346 -2.546 18797 2129 1 4 . 1 1 52 52 ALA H H 52 175.230 175.230 7.936 167.294 18797 2130 1 4 . 1 1 53 53 SER N N 53 113.990 113.990 117.367 -3.377 18797 2131 1 4 . 1 1 53 53 SER C C 53 175.360 175.360 175.610 -0.250 18797 2132 1 4 . 1 1 53 53 SER CA C 53 58.350 58.350 60.920 -2.570 18797 2133 1 4 . 1 1 53 53 SER CB C 53 62.930 62.930 63.166 -0.236 18797 2134 1 4 . 1 1 53 53 SER H H 53 8.000 8.000 8.808 -0.808 18797 2135 1 4 . 1 1 54 54 SER N N 54 113.510 113.510 115.493 -1.983 18797 2136 1 4 . 1 1 54 54 SER C C 54 173.880 173.880 175.549 -1.669 18797 2137 1 4 . 1 1 54 54 SER CA C 54 58.500 58.500 59.171 -0.671 18797 2138 1 4 . 1 1 54 54 SER CB C 54 62.960 62.960 63.790 -0.830 18797 2139 1 4 . 1 1 54 54 SER H H 54 8.050 8.050 8.408 -0.358 18797 2140 1 4 . 1 1 55 55 GLY N N 55 112.640 112.640 108.783 3.857 18797 2141 1 4 . 1 1 55 55 GLY CA C 55 44.200 44.200 45.336 -1.135 18797 2142 1 4 . 1 1 55 55 GLY H H 55 8.140 8.140 8.173 -0.033 18797 2143 1 4 . 1 1 56 56 ASP CA C 56 54.100 54.100 57.520 -3.420 18797 2144 1 4 . 1 1 56 56 ASP CB C 56 41.000 41.000 39.651 1.349 18797 2145 1 4 . 1 1 56 56 ASP H H 56 175.600 175.600 7.769 167.831 18797 2146 1 4 . 1 1 57 57 TYR N N 57 121.140 121.140 120.369 0.771 18797 2147 1 4 . 1 1 57 57 TYR CA C 57 57.280 57.280 57.680 -0.400 18797 2148 1 4 . 1 1 57 57 TYR CB C 57 38.400 38.400 40.328 -1.928 18797 2149 1 4 . 1 1 57 57 TYR H H 57 8.150 8.150 8.021 0.129 18797 2150 1 4 . 1 1 59 59 LYS CA C 59 55.410 55.410 56.100 -0.690 18797 2151 1 4 . 1 1 59 59 LYS CB C 59 34.220 34.220 35.038 -0.818 18797 2152 1 4 . 1 1 60 60 ASN N N 60 122.740 122.740 124.804 -2.064 18797 2153 1 4 . 1 1 60 60 ASN C C 60 175.260 175.260 173.170 2.090 18797 2154 1 4 . 1 1 60 60 ASN CA C 60 52.200 52.200 52.701 -0.501 18797 2155 1 4 . 1 1 60 60 ASN CB C 60 40.230 40.230 41.865 -1.635 18797 2156 1 4 . 1 1 60 60 ASN H H 60 8.360 8.360 8.891 -0.531 18797 2157 1 4 . 1 1 61 61 GLN N N 61 120.450 120.450 125.912 -5.462 18797 2158 1 4 . 1 1 61 61 GLN C C 61 172.500 172.500 173.564 -1.064 18797 2159 1 4 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.567 0.173 18797 2160 1 4 . 1 1 61 61 GLN CB C 61 34.840 34.840 32.498 2.342 18797 2161 1 4 . 1 1 61 61 GLN H H 61 8.530 8.530 8.296 0.234 18797 2162 1 4 . 1 1 62 62 TYR N N 62 123.620 123.620 127.810 -4.190 18797 2163 1 4 . 1 1 62 62 TYR C C 62 171.430 171.430 173.450 -2.020 18797 2164 1 4 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.792 1.048 18797 2165 1 4 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.398 -2.468 18797 2166 1 4 . 1 1 62 62 TYR H H 62 8.610 8.610 8.263 0.347 18797 2167 1 4 . 1 1 63 63 TYR N N 63 123.920 123.920 128.121 -4.201 18797 2168 1 4 . 1 1 63 63 TYR C C 63 174.280 174.280 173.011 1.269 18797 2169 1 4 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.556 -0.976 18797 2170 1 4 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.292 -0.972 18797 2171 1 4 . 1 1 63 63 TYR H H 63 8.400 8.400 7.566 0.834 18797 2172 1 4 . 1 1 64 64 GLY N N 64 107.510 107.510 113.430 -5.920 18797 2173 1 4 . 1 1 64 64 GLY C C 64 174.090 174.090 171.494 2.596 18797 2174 1 4 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.881 0.689 18797 2175 1 4 . 1 1 64 64 GLY H H 64 8.760 8.760 7.851 0.909 18797 2176 1 4 . 1 1 65 65 ILE N N 65 128.470 128.470 124.407 4.063 18797 2177 1 4 . 1 1 65 65 ILE C C 65 174.350 174.350 174.760 -0.410 18797 2178 1 4 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.741 0.219 18797 2179 1 4 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.481 -0.741 18797 2180 1 4 . 1 1 65 65 ILE H H 65 8.900 8.900 8.135 0.765 18797 2181 1 4 . 1 1 66 66 THR N N 66 115.890 115.890 123.292 -7.402 18797 2182 1 4 . 1 1 66 66 THR C C 66 172.600 172.600 172.749 -0.149 18797 2183 1 4 . 1 1 66 66 THR CA C 66 58.670 58.670 60.046 -1.376 18797 2184 1 4 . 1 1 66 66 THR CB C 66 73.100 73.100 70.897 2.203 18797 2185 1 4 . 1 1 66 66 THR H H 66 8.900 8.900 8.257 0.643 18797 2186 1 4 . 1 1 67 67 ALA N N 67 119.730 119.730 125.191 -5.461 18797 2187 1 4 . 1 1 67 67 ALA C C 67 176.670 176.670 175.400 1.270 18797 2188 1 4 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.539 0.961 18797 2189 1 4 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.664 -0.604 18797 2190 1 4 . 1 1 67 67 ALA H H 67 9.370 9.370 8.706 0.664 18797 2191 1 4 . 1 1 68 68 GLY N N 68 104.240 104.240 106.582 -2.342 18797 2192 1 4 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.597 1.323 18797 2193 1 4 . 1 1 68 68 GLY H H 68 8.900 8.900 8.004 0.896 18797 2194 1 4 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.117 -0.077 18797 2195 1 4 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.823 -0.133 18797 2196 1 4 . 1 1 70 70 ALA N N 70 120.220 120.220 127.036 -6.816 18797 2197 1 4 . 1 1 70 70 ALA C C 70 175.590 175.590 176.335 -0.745 18797 2198 1 4 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.120 -1.629 18797 2199 1 4 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.501 0.479 18797 2200 1 4 . 1 1 70 70 ALA H H 70 7.870 7.870 8.643 -0.773 18797 2201 1 4 . 1 1 71 71 TYR N N 71 126.080 126.080 126.586 -0.506 18797 2202 1 4 . 1 1 71 71 TYR C C 71 174.090 174.090 174.903 -0.813 18797 2203 1 4 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.511 -1.391 18797 2204 1 4 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.187 -0.267 18797 2205 1 4 . 1 1 71 71 TYR H H 71 9.780 9.780 9.084 0.696 18797 2206 1 4 . 1 1 72 72 ARG N N 72 131.410 131.410 125.550 5.860 18797 2207 1 4 . 1 1 72 72 ARG C C 72 174.160 174.160 175.362 -1.202 18797 2208 1 4 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.083 0.938 18797 2209 1 4 . 1 1 72 72 ARG CB C 72 29.620 29.620 31.107 -1.487 18797 2210 1 4 . 1 1 72 72 ARG H H 72 8.770 8.770 7.508 1.262 18797 2211 1 4 . 1 1 73 73 ILE N N 73 129.550 129.550 120.623 8.927 18797 2212 1 4 . 1 1 73 73 ILE C C 73 175.730 175.730 175.659 0.071 18797 2213 1 4 . 1 1 73 73 ILE CA C 73 62.950 62.950 61.806 1.143 18797 2214 1 4 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.432 0.078 18797 2215 1 4 . 1 1 73 73 ILE H H 73 8.400 8.400 8.405 -0.005 18797 2216 1 4 . 1 1 74 74 ASN N N 74 114.870 114.870 123.691 -8.821 18797 2217 1 4 . 1 1 74 74 ASN C C 74 174.860 174.860 174.734 0.126 18797 2218 1 4 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.325 -2.494 18797 2219 1 4 . 1 1 74 74 ASN CB C 74 36.840 36.840 39.056 -2.216 18797 2220 1 4 . 1 1 74 74 ASN H H 74 7.920 7.920 8.952 -1.032 18797 2221 1 4 . 1 1 75 75 ASP N N 75 113.980 113.980 118.015 -4.035 18797 2222 1 4 . 1 1 75 75 ASP C C 75 175.820 175.820 174.404 1.416 18797 2223 1 4 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.593 3.327 18797 2224 1 4 . 1 1 75 75 ASP CB C 75 40.230 40.230 40.948 -0.718 18797 2225 1 4 . 1 1 75 75 ASP H H 75 8.320 8.320 7.901 0.419 18797 2226 1 4 . 1 1 76 76 TRP N N 76 113.600 113.600 119.897 -6.297 18797 2227 1 4 . 1 1 76 76 TRP C C 76 176.310 176.310 175.106 1.204 18797 2228 1 4 . 1 1 76 76 TRP CA C 76 55.410 55.410 57.264 -1.854 18797 2229 1 4 . 1 1 76 76 TRP CB C 76 31.160 31.160 27.734 3.426 18797 2230 1 4 . 1 1 76 76 TRP H H 76 7.970 7.970 7.867 0.103 18797 2231 1 4 . 1 1 77 77 ALA N N 77 125.520 125.520 120.729 4.791 18797 2232 1 4 . 1 1 77 77 ALA C C 77 175.620 175.620 176.992 -1.372 18797 2233 1 4 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.433 0.637 18797 2234 1 4 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.634 1.506 18797 2235 1 4 . 1 1 77 77 ALA H H 77 7.740 7.740 7.902 -0.162 18797 2236 1 4 . 1 1 78 78 SER N N 78 114.140 114.140 116.309 -2.169 18797 2237 1 4 . 1 1 78 78 SER C C 78 170.060 170.060 173.439 -3.379 18797 2238 1 4 . 1 1 78 78 SER CA C 78 57.250 57.250 59.386 -2.136 18797 2239 1 4 . 1 1 78 78 SER CB C 78 65.320 65.320 64.049 1.271 18797 2240 1 4 . 1 1 78 78 SER H H 78 8.100 8.100 7.632 0.468 18797 2241 1 4 . 1 1 79 79 ILE N N 79 120.650 120.650 125.062 -4.412 18797 2242 1 4 . 1 1 79 79 ILE C C 79 172.470 172.470 174.738 -2.268 18797 2243 1 4 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.275 -1.825 18797 2244 1 4 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.279 0.821 18797 2245 1 4 . 1 1 79 79 ILE H H 79 8.960 8.960 8.038 0.922 18797 2246 1 4 . 1 1 80 80 TYR N N 80 120.580 120.580 125.592 -5.012 18797 2247 1 4 . 1 1 80 80 TYR C C 80 173.000 173.000 175.418 -2.418 18797 2248 1 4 . 1 1 80 80 TYR CA C 80 55.980 55.980 54.418 1.562 18797 2249 1 4 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.350 -0.320 18797 2250 1 4 . 1 1 80 80 TYR H H 80 8.360 8.360 8.659 -0.299 18797 2251 1 4 . 1 1 81 81 GLY N N 81 106.140 106.140 109.899 -3.759 18797 2252 1 4 . 1 1 81 81 GLY C C 81 170.920 170.920 171.996 -1.076 18797 2253 1 4 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.816 0.184 18797 2254 1 4 . 1 1 81 81 GLY H H 81 8.050 8.050 8.354 -0.304 18797 2255 1 4 . 1 1 82 82 VAL N N 82 111.380 111.380 118.830 -7.450 18797 2256 1 4 . 1 1 82 82 VAL C C 82 174.370 174.370 173.249 1.121 18797 2257 1 4 . 1 1 82 82 VAL CA C 82 58.180 58.180 58.971 -0.791 18797 2258 1 4 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.816 -0.376 18797 2259 1 4 . 1 1 82 82 VAL H H 82 8.490 8.490 8.110 0.380 18797 2260 1 4 . 1 1 83 83 VAL N N 83 113.660 113.660 116.636 -2.976 18797 2261 1 4 . 1 1 83 83 VAL C C 83 174.680 174.680 174.611 0.069 18797 2262 1 4 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.307 -0.217 18797 2263 1 4 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.581 1.439 18797 2264 1 4 . 1 1 83 83 VAL H H 83 8.970 8.970 8.309 0.661 18797 2265 1 4 . 1 1 84 84 GLY N N 84 108.310 108.310 110.709 -2.399 18797 2266 1 4 . 1 1 84 84 GLY C C 84 171.440 171.440 172.061 -0.621 18797 2267 1 4 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.294 2.476 18797 2268 1 4 . 1 1 84 84 GLY H H 84 8.480 8.480 8.093 0.387 18797 2269 1 4 . 1 1 85 85 VAL N N 85 122.520 122.520 119.480 3.040 18797 2270 1 4 . 1 1 85 85 VAL C C 85 172.560 172.560 175.038 -2.478 18797 2271 1 4 . 1 1 85 85 VAL CA C 85 59.170 59.170 60.284 -1.114 18797 2272 1 4 . 1 1 85 85 VAL CB C 85 35.810 35.810 33.921 1.889 18797 2273 1 4 . 1 1 85 85 VAL H H 85 8.920 8.920 8.139 0.781 18797 2274 1 4 . 1 1 86 86 GLY N N 86 113.360 113.360 114.972 -1.612 18797 2275 1 4 . 1 1 86 86 GLY C C 86 172.210 172.210 171.721 0.489 18797 2276 1 4 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.691 -0.411 18797 2277 1 4 . 1 1 86 86 GLY H H 86 8.880 8.880 8.720 0.160 18797 2278 1 4 . 1 1 87 87 TYR N N 87 123.830 123.830 118.801 5.029 18797 2279 1 4 . 1 1 87 87 TYR C C 87 174.030 174.030 173.332 0.698 18797 2280 1 4 . 1 1 87 87 TYR CA C 87 55.930 55.930 54.827 1.103 18797 2281 1 4 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.291 0.739 18797 2282 1 4 . 1 1 87 87 TYR H H 87 9.310 9.310 8.023 1.287 18797 2283 1 4 . 1 1 88 88 GLY N N 88 112.300 112.300 106.660 5.640 18797 2284 1 4 . 1 1 88 88 GLY C C 88 170.620 170.620 171.716 -1.096 18797 2285 1 4 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.574 0.826 18797 2286 1 4 . 1 1 88 88 GLY H H 88 8.000 8.000 8.270 -0.270 18797 2287 1 4 . 1 1 89 89 LYS N N 89 122.410 122.410 123.152 -0.742 18797 2288 1 4 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.288 0.192 18797 2289 1 4 . 1 1 89 89 LYS H H 89 8.230 8.230 8.170 0.060 18797 2290 1 4 . 1 1 90 90 PHE C C 90 175.190 175.190 176.083 -0.893 18797 2291 1 4 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.714 -2.684 18797 2292 1 4 . 1 1 90 90 PHE CB C 90 40.510 40.510 40.114 0.396 18797 2293 1 4 . 1 1 91 91 GLN N N 91 122.380 122.380 123.857 -1.477 18797 2294 1 4 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.825 0.505 18797 2295 1 4 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.991 -2.291 18797 2296 1 4 . 1 1 91 91 GLN H H 91 8.370 8.370 8.099 0.271 18797 2297 1 4 . 1 1 94 94 GLU N N 94 175.780 175.780 120.524 55.256 18797 2298 1 4 . 1 1 94 94 GLU CA C 94 57.030 57.030 55.417 1.613 18797 2299 1 4 . 1 1 94 94 GLU CB C 94 29.460 29.460 31.482 -2.022 18797 2300 1 4 . 1 1 95 95 TYR N N 95 120.240 120.240 123.598 -3.358 18797 2301 1 4 . 1 1 95 95 TYR CA C 95 55.290 55.290 61.396 -6.106 18797 2302 1 4 . 1 1 95 95 TYR CB C 95 37.730 37.730 37.430 0.300 18797 2303 1 4 . 1 1 95 95 TYR H H 95 7.830 7.830 8.623 -0.793 18797 2304 1 4 . 1 1 97 97 THR CA C 97 62.210 62.210 60.476 1.734 18797 2305 1 4 . 1 1 97 97 THR H H 97 174.320 174.320 7.611 166.709 18797 2306 1 4 . 1 1 98 98 TYR N N 98 122.540 122.540 120.174 2.366 18797 2307 1 4 . 1 1 98 98 TYR C C 98 175.000 175.000 176.655 -1.655 18797 2308 1 4 . 1 1 98 98 TYR CA C 98 57.530 57.530 57.341 0.189 18797 2309 1 4 . 1 1 98 98 TYR CB C 98 38.350 38.350 40.550 -2.200 18797 2310 1 4 . 1 1 98 98 TYR H H 98 8.040 8.040 8.274 -0.234 18797 2311 1 4 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.664 0.356 18797 2312 1 4 . 1 1 101 101 ASP CB C 101 39.700 39.700 43.214 -3.514 18797 2313 1 4 . 1 1 101 101 ASP H H 101 176.040 176.040 8.073 167.967 18797 2314 1 4 . 1 1 102 102 THR N N 102 117.650 117.650 120.259 -2.609 18797 2315 1 4 . 1 1 102 102 THR C C 102 173.840 173.840 173.579 0.261 18797 2316 1 4 . 1 1 102 102 THR CA C 102 61.590 61.590 61.885 -0.295 18797 2317 1 4 . 1 1 102 102 THR CB C 102 69.970 69.970 71.439 -1.468 18797 2318 1 4 . 1 1 102 102 THR H H 102 8.520 8.520 8.625 -0.105 18797 2319 1 4 . 1 1 103 103 SER N N 103 119.470 119.470 119.226 0.244 18797 2320 1 4 . 1 1 103 103 SER C C 103 173.580 173.580 173.138 0.442 18797 2321 1 4 . 1 1 103 103 SER CA C 103 57.310 57.310 57.072 0.238 18797 2322 1 4 . 1 1 103 103 SER H H 103 8.240 8.240 8.589 -0.349 18797 2323 1 4 . 1 1 104 104 ASP N N 104 122.250 122.250 120.465 1.785 18797 2324 1 4 . 1 1 104 104 ASP C C 104 173.100 173.100 173.992 -0.892 18797 2325 1 4 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.017 -0.417 18797 2326 1 4 . 1 1 104 104 ASP CB C 104 44.060 44.060 42.559 1.502 18797 2327 1 4 . 1 1 104 104 ASP H H 104 8.270 8.270 8.104 0.166 18797 2328 1 4 . 1 1 105 105 TYR N N 105 116.040 116.040 118.505 -2.465 18797 2329 1 4 . 1 1 105 105 TYR C C 105 175.860 175.860 176.597 -0.737 18797 2330 1 4 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.923 -1.373 18797 2331 1 4 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.721 -0.091 18797 2332 1 4 . 1 1 105 105 TYR H H 105 8.560 8.560 8.658 -0.098 18797 2333 1 4 . 1 1 106 106 GLY N N 106 108.500 108.500 108.029 0.471 18797 2334 1 4 . 1 1 106 106 GLY C C 106 172.030 172.030 171.867 0.163 18797 2335 1 4 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.048 0.442 18797 2336 1 4 . 1 1 106 106 GLY H H 106 9.190 9.190 9.074 0.116 18797 2337 1 4 . 1 1 107 107 PHE N N 107 121.420 121.420 121.910 -0.490 18797 2338 1 4 . 1 1 107 107 PHE C C 107 175.430 175.430 174.260 1.170 18797 2339 1 4 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.789 0.751 18797 2340 1 4 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.465 -1.265 18797 2341 1 4 . 1 1 107 107 PHE H H 107 8.860 8.860 8.742 0.118 18797 2342 1 4 . 1 1 108 108 SER N N 108 123.250 123.250 124.003 -0.753 18797 2343 1 4 . 1 1 108 108 SER C C 108 171.430 171.430 172.286 -0.856 18797 2344 1 4 . 1 1 108 108 SER CA C 108 56.100 56.100 56.712 -0.612 18797 2345 1 4 . 1 1 108 108 SER CB C 108 65.720 65.720 65.295 0.425 18797 2346 1 4 . 1 1 108 108 SER H H 108 8.110 8.110 8.253 -0.143 18797 2347 1 4 . 1 1 109 109 TYR N N 109 117.840 117.840 125.746 -7.906 18797 2348 1 4 . 1 1 109 109 TYR C C 109 173.560 173.560 173.588 -0.028 18797 2349 1 4 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.049 -0.729 18797 2350 1 4 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.907 -3.346 18797 2351 1 4 . 1 1 109 109 TYR H H 109 8.480 8.480 8.227 0.253 18797 2352 1 4 . 1 1 110 110 GLY N N 110 106.400 106.400 110.574 -4.174 18797 2353 1 4 . 1 1 110 110 GLY C C 110 171.350 171.350 170.970 0.380 18797 2354 1 4 . 1 1 110 110 GLY CA C 110 46.160 46.160 43.689 2.471 18797 2355 1 4 . 1 1 110 110 GLY H H 110 8.980 8.980 7.770 1.210 18797 2356 1 4 . 1 1 111 111 ALA N N 111 119.140 119.140 120.993 -1.853 18797 2357 1 4 . 1 1 111 111 ALA C C 111 174.640 174.640 175.009 -0.369 18797 2358 1 4 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.277 0.693 18797 2359 1 4 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.716 -0.566 18797 2360 1 4 . 1 1 111 111 ALA H H 111 8.390 8.390 7.563 0.827 18797 2361 1 4 . 1 1 112 112 GLY N N 112 106.070 106.070 107.112 -1.042 18797 2362 1 4 . 1 1 112 112 GLY C C 112 169.770 169.770 171.705 -1.935 18797 2363 1 4 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.887 0.383 18797 2364 1 4 . 1 1 112 112 GLY H H 112 7.820 7.820 8.191 -0.371 18797 2365 1 4 . 1 1 113 113 LEU N N 113 116.370 116.370 119.860 -3.490 18797 2366 1 4 . 1 1 113 113 LEU C C 113 175.090 175.090 175.566 -0.476 18797 2367 1 4 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.136 -0.446 18797 2368 1 4 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.455 0.105 18797 2369 1 4 . 1 1 113 113 LEU H H 113 8.930 8.930 8.353 0.577 18797 2370 1 4 . 1 1 114 114 GLN N N 114 115.860 115.860 118.220 -2.360 18797 2371 1 4 . 1 1 114 114 GLN C C 114 176.910 176.910 174.668 2.242 18797 2372 1 4 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.255 -0.525 18797 2373 1 4 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.038 0.252 18797 2374 1 4 . 1 1 114 114 GLN H H 114 7.860 7.860 8.186 -0.326 18797 2375 1 4 . 1 1 115 115 PHE N N 115 126.580 126.580 123.778 2.802 18797 2376 1 4 . 1 1 115 115 PHE C C 115 175.740 175.740 172.811 2.929 18797 2377 1 4 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.843 -1.643 18797 2378 1 4 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.830 1.540 18797 2379 1 4 . 1 1 115 115 PHE H H 115 9.750 9.750 8.459 1.291 18797 2380 1 4 . 1 1 116 116 ASN N N 116 119.920 119.920 125.800 -5.880 18797 2381 1 4 . 1 1 116 116 ASN CA C 116 51.200 51.200 49.021 2.179 18797 2382 1 4 . 1 1 116 116 ASN CB C 116 40.650 40.650 41.128 -0.478 18797 2383 1 4 . 1 1 116 116 ASN H H 116 9.450 9.450 7.840 1.610 18797 2384 1 4 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.172 2.528 18797 2385 1 4 . 1 1 118 118 MET N N 118 110.530 110.530 117.983 -7.453 18797 2386 1 4 . 1 1 118 118 MET C C 118 176.130 176.130 176.842 -0.712 18797 2387 1 4 . 1 1 118 118 MET CA C 118 53.980 53.980 56.918 -2.938 18797 2388 1 4 . 1 1 118 118 MET CB C 118 36.310 36.310 32.681 3.628 18797 2389 1 4 . 1 1 118 118 MET H H 118 7.310 7.310 8.252 -0.942 18797 2390 1 4 . 1 1 119 119 GLU N N 119 120.320 120.320 118.010 2.310 18797 2391 1 4 . 1 1 119 119 GLU C C 119 176.810 176.810 177.104 -0.294 18797 2392 1 4 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.404 2.196 18797 2393 1 4 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.035 0.115 18797 2394 1 4 . 1 1 119 119 GLU H H 119 9.120 9.120 8.938 0.182 18797 2395 1 4 . 1 1 120 120 ASN N N 120 112.490 112.490 117.972 -5.482 18797 2396 1 4 . 1 1 120 120 ASN C C 120 174.080 174.080 176.227 -2.147 18797 2397 1 4 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.191 -1.791 18797 2398 1 4 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.245 0.585 18797 2399 1 4 . 1 1 120 120 ASN H H 120 8.430 8.430 8.635 -0.205 18797 2400 1 4 . 1 1 121 121 VAL N N 121 117.760 117.760 118.164 -0.404 18797 2401 1 4 . 1 1 121 121 VAL C C 121 174.750 174.750 175.189 -0.439 18797 2402 1 4 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.631 -1.941 18797 2403 1 4 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.954 4.946 18797 2404 1 4 . 1 1 121 121 VAL H H 121 7.500 7.500 7.305 0.195 18797 2405 1 4 . 1 1 122 122 ALA N N 122 127.190 127.190 123.600 3.590 18797 2406 1 4 . 1 1 122 122 ALA C C 122 175.140 175.140 175.416 -0.276 18797 2407 1 4 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.778 -1.387 18797 2408 1 4 . 1 1 122 122 ALA CB C 122 22.820 22.820 22.061 0.759 18797 2409 1 4 . 1 1 122 122 ALA H H 122 8.230 8.230 7.353 0.877 18797 2410 1 4 . 1 1 123 123 LEU N N 123 120.270 120.270 122.821 -2.551 18797 2411 1 4 . 1 1 123 123 LEU C C 123 174.310 174.310 175.601 -1.291 18797 2412 1 4 . 1 1 123 123 LEU CA C 123 53.660 53.660 54.342 -0.682 18797 2413 1 4 . 1 1 123 123 LEU CB C 123 44.510 44.510 45.885 -1.375 18797 2414 1 4 . 1 1 123 123 LEU H H 123 8.910 8.910 8.148 0.762 18797 2415 1 4 . 1 1 124 124 ASP N N 124 127.350 127.350 120.893 6.457 18797 2416 1 4 . 1 1 124 124 ASP C C 124 171.830 171.830 174.436 -2.606 18797 2417 1 4 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.806 1.014 18797 2418 1 4 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.898 2.591 18797 2419 1 4 . 1 1 124 124 ASP H H 124 8.580 8.580 8.534 0.046 18797 2420 1 4 . 1 1 125 125 PHE N N 125 123.390 123.390 126.916 -3.526 18797 2421 1 4 . 1 1 125 125 PHE C C 125 174.130 174.130 173.650 0.480 18797 2422 1 4 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.438 -0.778 18797 2423 1 4 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.971 -0.272 18797 2424 1 4 . 1 1 125 125 PHE H H 125 8.670 8.670 8.464 0.206 18797 2425 1 4 . 1 1 126 126 SER N N 126 118.680 118.680 121.637 -2.957 18797 2426 1 4 . 1 1 126 126 SER C C 126 169.980 169.980 172.227 -2.247 18797 2427 1 4 . 1 1 126 126 SER CA C 126 58.120 58.120 56.844 1.276 18797 2428 1 4 . 1 1 126 126 SER CB C 126 66.950 66.950 66.867 0.083 18797 2429 1 4 . 1 1 126 126 SER H H 126 9.390 9.390 8.099 1.291 18797 2430 1 4 . 1 1 127 127 TYR N N 127 119.080 119.080 119.301 -0.221 18797 2431 1 4 . 1 1 127 127 TYR C C 127 174.390 174.390 173.778 0.612 18797 2432 1 4 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.064 0.376 18797 2433 1 4 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.108 1.992 18797 2434 1 4 . 1 1 127 127 TYR H H 127 8.610 8.610 8.503 0.107 18797 2435 1 4 . 1 1 128 128 GLU N N 128 130.070 130.070 120.346 9.724 18797 2436 1 4 . 1 1 128 128 GLU C C 128 172.590 172.590 174.733 -2.143 18797 2437 1 4 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.739 -0.609 18797 2438 1 4 . 1 1 128 128 GLU CB C 128 33.500 33.500 34.113 -0.613 18797 2439 1 4 . 1 1 128 128 GLU H H 128 8.510 8.510 8.474 0.036 18797 2440 1 4 . 1 1 129 129 GLN N N 129 128.670 128.670 122.863 5.807 18797 2441 1 4 . 1 1 129 129 GLN C C 129 173.690 173.690 174.254 -0.564 18797 2442 1 4 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.287 -1.077 18797 2443 1 4 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.921 -1.871 18797 2444 1 4 . 1 1 129 129 GLN H H 129 9.330 9.330 8.673 0.657 18797 2445 1 4 . 1 1 130 130 SER N N 130 118.630 118.630 119.985 -1.355 18797 2446 1 4 . 1 1 130 130 SER C C 130 174.210 174.210 174.224 -0.014 18797 2447 1 4 . 1 1 130 130 SER CA C 130 56.450 56.450 56.369 0.081 18797 2448 1 4 . 1 1 130 130 SER CB C 130 66.260 66.260 65.463 0.797 18797 2449 1 4 . 1 1 130 130 SER H H 130 8.580 8.580 8.175 0.405 18797 2450 1 4 . 1 1 131 131 ARG N N 131 126.850 126.850 125.598 1.252 18797 2451 1 4 . 1 1 131 131 ARG C C 131 174.740 174.740 176.233 -1.493 18797 2452 1 4 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.406 -0.066 18797 2453 1 4 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.033 -0.123 18797 2454 1 4 . 1 1 131 131 ARG H H 131 7.690 7.690 8.604 -0.914 18797 2455 1 4 . 1 1 132 132 ILE N N 132 129.470 129.470 125.015 4.455 18797 2456 1 4 . 1 1 132 132 ILE C C 132 175.500 175.500 176.326 -0.826 18797 2457 1 4 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.464 -2.574 18797 2458 1 4 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.633 0.687 18797 2459 1 4 . 1 1 132 132 ILE H H 132 8.730 8.730 8.744 -0.014 18797 2460 1 4 . 1 1 133 133 ARG N N 133 127.220 127.220 128.525 -1.305 18797 2461 1 4 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.544 2.567 18797 2462 1 4 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.043 -3.723 18797 2463 1 4 . 1 1 133 133 ARG H H 133 9.400 9.400 8.444 0.956 18797 2464 1 4 . 1 1 134 134 SER C C 134 173.290 173.290 173.692 -0.402 18797 2465 1 4 . 1 1 134 134 SER CA C 134 58.490 58.490 60.016 -1.526 18797 2466 1 4 . 1 1 134 134 SER CB C 134 62.860 62.860 63.141 -0.281 18797 2467 1 4 . 1 1 135 135 VAL N N 135 124.810 124.810 120.733 4.077 18797 2468 1 4 . 1 1 135 135 VAL C C 135 174.650 174.650 173.942 0.708 18797 2469 1 4 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.064 0.806 18797 2470 1 4 . 1 1 135 135 VAL CB C 135 32.060 32.060 35.105 -3.045 18797 2471 1 4 . 1 1 135 135 VAL H H 135 8.270 8.270 7.322 0.948 18797 2472 1 4 . 1 1 136 136 ASP N N 136 127.750 127.750 126.988 0.762 18797 2473 1 4 . 1 1 136 136 ASP C C 136 175.130 175.130 175.075 0.055 18797 2474 1 4 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.256 1.964 18797 2475 1 4 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.390 -0.640 18797 2476 1 4 . 1 1 136 136 ASP H H 136 8.010 8.010 8.336 -0.326 18797 2477 1 4 . 1 1 137 137 VAL N N 137 124.520 124.520 120.466 4.054 18797 2478 1 4 . 1 1 137 137 VAL C C 137 174.690 174.690 175.691 -1.001 18797 2479 1 4 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.969 -0.519 18797 2480 1 4 . 1 1 137 137 VAL CB C 137 32.800 32.800 32.886 -0.086 18797 2481 1 4 . 1 1 137 137 VAL H H 137 8.720 8.720 7.825 0.895 18797 2482 1 4 . 1 1 138 138 GLY N N 138 116.920 116.920 114.448 2.472 18797 2483 1 4 . 1 1 138 138 GLY C C 138 172.930 172.930 172.651 0.279 18797 2484 1 4 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.301 0.179 18797 2485 1 4 . 1 1 138 138 GLY H H 138 8.240 8.240 8.547 -0.307 18797 2486 1 4 . 1 1 139 139 THR N N 139 125.070 125.070 122.204 2.866 18797 2487 1 4 . 1 1 139 139 THR C C 139 171.920 171.920 173.214 -1.294 18797 2488 1 4 . 1 1 139 139 THR CA C 139 60.890 60.890 61.037 -0.147 18797 2489 1 4 . 1 1 139 139 THR CB C 139 70.290 70.290 71.712 -1.422 18797 2490 1 4 . 1 1 139 139 THR H H 139 8.710 8.710 8.227 0.483 18797 2491 1 4 . 1 1 140 140 TRP N N 140 125.840 125.840 126.936 -1.096 18797 2492 1 4 . 1 1 140 140 TRP C C 140 175.070 175.070 175.143 -0.073 18797 2493 1 4 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.735 -0.605 18797 2494 1 4 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.180 -0.080 18797 2495 1 4 . 1 1 140 140 TRP H H 140 8.330 8.330 8.613 -0.283 18797 2496 1 4 . 1 1 141 141 ILE N N 141 123.240 123.240 121.950 1.290 18797 2497 1 4 . 1 1 141 141 ILE C C 141 174.870 174.870 174.372 0.498 18797 2498 1 4 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.591 0.799 18797 2499 1 4 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.822 -1.192 18797 2500 1 4 . 1 1 141 141 ILE H H 141 8.980 8.980 8.740 0.240 18797 2501 1 4 . 1 1 142 142 ALA N N 142 127.680 127.680 128.649 -0.969 18797 2502 1 4 . 1 1 142 142 ALA C C 142 175.700 175.700 176.016 -0.316 18797 2503 1 4 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.169 0.361 18797 2504 1 4 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.335 -0.125 18797 2505 1 4 . 1 1 142 142 ALA H H 142 8.350 8.350 8.486 -0.136 18797 2506 1 4 . 1 1 143 143 GLY N N 143 109.030 109.030 110.419 -1.389 18797 2507 1 4 . 1 1 143 143 GLY C C 143 172.090 172.090 171.995 0.095 18797 2508 1 4 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.138 1.292 18797 2509 1 4 . 1 1 143 143 GLY H H 143 9.520 9.520 8.557 0.963 18797 2510 1 4 . 1 1 144 144 VAL N N 144 114.110 114.110 120.432 -6.322 18797 2511 1 4 . 1 1 144 144 VAL C C 144 174.010 174.010 174.919 -0.909 18797 2512 1 4 . 1 1 144 144 VAL CA C 144 58.270 58.270 60.063 -1.793 18797 2513 1 4 . 1 1 144 144 VAL CB C 144 35.490 35.490 35.345 0.145 18797 2514 1 4 . 1 1 144 144 VAL H H 144 8.750 8.750 8.615 0.135 18797 2515 1 4 . 1 1 145 145 GLY N N 145 107.360 107.360 112.376 -5.016 18797 2516 1 4 . 1 1 145 145 GLY C C 145 171.210 171.210 171.692 -0.482 18797 2517 1 4 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.736 2.034 18797 2518 1 4 . 1 1 145 145 GLY H H 145 8.590 8.590 8.542 0.048 18797 2519 1 4 . 1 1 146 146 TYR N N 146 121.960 121.960 114.703 7.257 18797 2520 1 4 . 1 1 146 146 TYR C C 146 172.440 172.440 173.655 -1.215 18797 2521 1 4 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.328 -0.078 18797 2522 1 4 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.823 2.447 18797 2523 1 4 . 1 1 146 146 TYR H H 146 8.370 8.370 7.774 0.596 18797 2524 1 4 . 1 1 147 147 ARG N N 147 129.590 129.590 121.788 7.802 18797 2525 1 4 . 1 1 147 147 ARG C C 147 173.850 173.850 176.161 -2.311 18797 2526 1 4 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.906 -1.546 18797 2527 1 4 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.502 -1.082 18797 2528 1 4 . 1 1 147 147 ARG H H 147 7.690 7.690 8.425 -0.735 18797 2529 1 5 . 1 1 2 2 THR N N 2 114.280 114.280 112.187 2.093 18797 2530 1 5 . 1 1 2 2 THR C C 2 173.570 173.570 173.605 -0.035 18797 2531 1 5 . 1 1 2 2 THR CA C 2 61.040 61.040 60.749 0.291 18797 2532 1 5 . 1 1 2 2 THR CB C 2 71.930 71.930 70.481 1.448 18797 2533 1 5 . 1 1 2 2 THR H H 2 8.490 8.490 7.936 0.554 18797 2534 1 5 . 1 1 3 3 SER N N 3 122.430 122.430 115.331 7.099 18797 2535 1 5 . 1 1 3 3 SER C C 3 172.590 172.590 172.005 0.585 18797 2536 1 5 . 1 1 3 3 SER CA C 3 56.760 56.760 57.172 -0.412 18797 2537 1 5 . 1 1 3 3 SER CB C 3 65.480 65.480 65.207 0.273 18797 2538 1 5 . 1 1 3 3 SER H H 3 9.000 9.000 8.422 0.578 18797 2539 1 5 . 1 1 4 4 THR N N 4 117.240 117.240 116.515 0.725 18797 2540 1 5 . 1 1 4 4 THR C C 4 174.640 174.640 173.198 1.442 18797 2541 1 5 . 1 1 4 4 THR CA C 4 61.390 61.390 61.685 -0.295 18797 2542 1 5 . 1 1 4 4 THR CB C 4 70.680 70.680 71.734 -1.054 18797 2543 1 5 . 1 1 4 4 THR H H 4 8.610 8.610 7.892 0.718 18797 2544 1 5 . 1 1 5 5 VAL N N 5 129.440 129.440 121.924 7.516 18797 2545 1 5 . 1 1 5 5 VAL C C 5 174.770 174.770 174.580 0.190 18797 2546 1 5 . 1 1 5 5 VAL CA C 5 59.760 59.760 59.765 -0.005 18797 2547 1 5 . 1 1 5 5 VAL CB C 5 33.490 33.490 34.446 -0.956 18797 2548 1 5 . 1 1 5 5 VAL H H 5 8.750 8.750 8.422 0.328 18797 2549 1 5 . 1 1 6 6 THR N N 6 116.430 116.430 122.924 -6.494 18797 2550 1 5 . 1 1 6 6 THR C C 6 172.930 172.930 173.553 -0.623 18797 2551 1 5 . 1 1 6 6 THR CA C 6 58.590 58.590 61.184 -2.594 18797 2552 1 5 . 1 1 6 6 THR CB C 6 70.930 70.930 72.293 -1.363 18797 2553 1 5 . 1 1 6 6 THR H H 6 8.890 8.890 8.086 0.804 18797 2554 1 5 . 1 1 7 7 GLY N N 7 105.590 105.590 110.552 -4.962 18797 2555 1 5 . 1 1 7 7 GLY C C 7 172.430 172.430 172.131 0.299 18797 2556 1 5 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.891 0.429 18797 2557 1 5 . 1 1 7 7 GLY H H 7 8.760 8.760 8.386 0.374 18797 2558 1 5 . 1 1 8 8 GLY N N 8 106.530 106.530 110.103 -3.573 18797 2559 1 5 . 1 1 8 8 GLY C C 8 173.030 173.030 171.959 1.071 18797 2560 1 5 . 1 1 8 8 GLY CA C 8 45.930 45.930 45.436 0.494 18797 2561 1 5 . 1 1 8 8 GLY H H 8 9.100 9.100 8.122 0.978 18797 2562 1 5 . 1 1 9 9 TYR N N 9 121.730 121.730 116.610 5.120 18797 2563 1 5 . 1 1 9 9 TYR C C 9 172.390 172.390 172.982 -0.592 18797 2564 1 5 . 1 1 9 9 TYR CA C 9 56.840 56.840 54.814 2.026 18797 2565 1 5 . 1 1 9 9 TYR CB C 9 41.080 41.080 41.685 -0.605 18797 2566 1 5 . 1 1 9 9 TYR H H 9 8.410 8.410 7.833 0.577 18797 2567 1 5 . 1 1 10 10 ALA N N 10 128.460 128.460 120.809 7.651 18797 2568 1 5 . 1 1 10 10 ALA C C 10 174.020 174.020 175.955 -1.935 18797 2569 1 5 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.966 -1.756 18797 2570 1 5 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.575 -0.355 18797 2571 1 5 . 1 1 10 10 ALA H H 10 6.910 6.910 8.668 -1.758 18797 2572 1 5 . 1 1 11 11 GLN N N 11 118.830 118.830 120.081 -1.251 18797 2573 1 5 . 1 1 11 11 GLN C C 11 175.650 175.650 175.348 0.302 18797 2574 1 5 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.655 0.175 18797 2575 1 5 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.781 -0.721 18797 2576 1 5 . 1 1 11 11 GLN H H 11 8.100 8.100 8.310 -0.210 18797 2577 1 5 . 1 1 12 12 SER N N 12 124.200 124.200 119.139 5.061 18797 2578 1 5 . 1 1 12 12 SER C C 12 172.710 172.710 173.565 -0.855 18797 2579 1 5 . 1 1 12 12 SER CA C 12 57.190 57.190 57.328 -0.138 18797 2580 1 5 . 1 1 12 12 SER CB C 12 64.180 64.180 65.789 -1.609 18797 2581 1 5 . 1 1 12 12 SER H H 12 9.160 9.160 8.584 0.576 18797 2582 1 5 . 1 1 13 13 ASP N N 13 124.950 124.950 123.972 0.978 18797 2583 1 5 . 1 1 13 13 ASP C C 13 174.860 174.860 174.878 -0.018 18797 2584 1 5 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.525 -0.565 18797 2585 1 5 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.483 0.437 18797 2586 1 5 . 1 1 13 13 ASP H H 13 9.070 9.070 8.166 0.904 18797 2587 1 5 . 1 1 14 14 ALA N N 14 128.730 128.730 127.501 1.229 18797 2588 1 5 . 1 1 14 14 ALA C C 14 176.230 176.230 176.892 -0.662 18797 2589 1 5 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.199 -1.389 18797 2590 1 5 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.788 -1.288 18797 2591 1 5 . 1 1 14 14 ALA H H 14 8.560 8.560 8.267 0.293 18797 2592 1 5 . 1 1 15 15 GLN N N 15 122.750 122.750 122.168 0.582 18797 2593 1 5 . 1 1 15 15 GLN C C 15 176.660 176.660 176.646 0.014 18797 2594 1 5 . 1 1 15 15 GLN CA C 15 57.120 57.120 55.004 2.116 18797 2595 1 5 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.413 -2.253 18797 2596 1 5 . 1 1 15 15 GLN H H 15 8.340 8.340 8.527 -0.187 18797 2597 1 5 . 1 1 16 16 GLY N N 16 112.800 112.800 110.694 2.106 18797 2598 1 5 . 1 1 16 16 GLY C C 16 174.400 174.400 173.955 0.445 18797 2599 1 5 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.887 -0.707 18797 2600 1 5 . 1 1 16 16 GLY H H 16 8.650 8.650 8.740 -0.090 18797 2601 1 5 . 1 1 17 17 GLN N N 17 119.300 119.300 122.537 -3.237 18797 2602 1 5 . 1 1 17 17 GLN C C 17 175.720 175.720 175.064 0.656 18797 2603 1 5 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.482 -1.882 18797 2604 1 5 . 1 1 17 17 GLN CB C 17 32.800 32.800 29.614 3.186 18797 2605 1 5 . 1 1 17 17 GLN H H 17 8.080 8.080 8.137 -0.057 18797 2606 1 5 . 1 1 18 18 MET N N 18 120.170 120.170 119.805 0.365 18797 2607 1 5 . 1 1 18 18 MET C C 18 175.400 175.400 174.659 0.741 18797 2608 1 5 . 1 1 18 18 MET CA C 18 55.980 55.980 54.670 1.310 18797 2609 1 5 . 1 1 18 18 MET CB C 18 35.590 35.590 35.223 0.367 18797 2610 1 5 . 1 1 18 18 MET H H 18 8.370 8.370 7.935 0.435 18797 2611 1 5 . 1 1 19 19 ASN N N 19 117.900 117.900 119.624 -1.724 18797 2612 1 5 . 1 1 19 19 ASN C C 19 174.400 174.400 174.812 -0.412 18797 2613 1 5 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.377 -0.077 18797 2614 1 5 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.282 0.118 18797 2615 1 5 . 1 1 19 19 ASN H H 19 7.990 7.990 8.325 -0.335 18797 2616 1 5 . 1 1 20 20 LYS N N 20 120.800 120.800 119.124 1.676 18797 2617 1 5 . 1 1 20 20 LYS C C 20 176.410 176.410 176.328 0.082 18797 2618 1 5 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.231 -1.531 18797 2619 1 5 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.085 -1.185 18797 2620 1 5 . 1 1 20 20 LYS H H 20 8.340 8.340 8.246 0.094 18797 2621 1 5 . 1 1 21 21 MET N N 21 120.500 120.500 119.363 1.137 18797 2622 1 5 . 1 1 21 21 MET C C 21 175.270 175.270 175.655 -0.385 18797 2623 1 5 . 1 1 21 21 MET CA C 21 54.800 54.800 54.793 0.007 18797 2624 1 5 . 1 1 21 21 MET CB C 21 34.730 34.730 36.276 -1.546 18797 2625 1 5 . 1 1 21 21 MET H H 21 8.580 8.580 7.782 0.798 18797 2626 1 5 . 1 1 22 22 GLY N N 22 111.280 111.280 108.772 2.508 18797 2627 1 5 . 1 1 22 22 GLY C C 22 174.030 174.030 172.353 1.677 18797 2628 1 5 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.738 0.072 18797 2629 1 5 . 1 1 22 22 GLY H H 22 8.430 8.430 8.286 0.144 18797 2630 1 5 . 1 1 23 23 GLY N N 23 120.170 120.170 109.563 10.607 18797 2631 1 5 . 1 1 23 23 GLY C C 23 171.850 171.850 171.997 -0.147 18797 2632 1 5 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.919 2.232 18797 2633 1 5 . 1 1 23 23 GLY H H 23 8.180 8.180 8.032 0.148 18797 2634 1 5 . 1 1 24 24 PHE N N 24 121.370 121.370 120.231 1.139 18797 2635 1 5 . 1 1 24 24 PHE C C 24 171.570 171.570 174.887 -3.317 18797 2636 1 5 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.520 -1.790 18797 2637 1 5 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.315 1.195 18797 2638 1 5 . 1 1 24 24 PHE H H 24 9.230 9.230 8.589 0.641 18797 2639 1 5 . 1 1 25 25 ASN N N 25 118.950 118.950 120.361 -1.411 18797 2640 1 5 . 1 1 25 25 ASN C C 25 172.080 172.080 174.320 -2.240 18797 2641 1 5 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.624 -1.754 18797 2642 1 5 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.071 4.379 18797 2643 1 5 . 1 1 25 25 ASN H H 25 8.520 8.520 8.638 -0.118 18797 2644 1 5 . 1 1 26 26 LEU N N 26 126.150 126.150 123.667 2.483 18797 2645 1 5 . 1 1 26 26 LEU C C 26 175.620 175.620 176.008 -0.388 18797 2646 1 5 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.842 -0.352 18797 2647 1 5 . 1 1 26 26 LEU CB C 26 46.630 46.630 44.815 1.815 18797 2648 1 5 . 1 1 26 26 LEU H H 26 9.340 9.340 8.493 0.847 18797 2649 1 5 . 1 1 27 27 LYS N N 27 117.980 117.980 120.070 -2.090 18797 2650 1 5 . 1 1 27 27 LYS C C 27 175.120 175.120 175.363 -0.243 18797 2651 1 5 . 1 1 27 27 LYS CA C 27 55.190 55.190 53.608 1.582 18797 2652 1 5 . 1 1 27 27 LYS CB C 27 36.570 36.570 35.831 0.739 18797 2653 1 5 . 1 1 27 27 LYS H H 27 8.850 8.850 8.545 0.305 18797 2654 1 5 . 1 1 28 28 TYR N N 28 120.820 120.820 124.051 -3.231 18797 2655 1 5 . 1 1 28 28 TYR C C 28 172.480 172.480 173.255 -0.775 18797 2656 1 5 . 1 1 28 28 TYR CA C 28 56.280 56.280 57.011 -0.731 18797 2657 1 5 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.884 -0.984 18797 2658 1 5 . 1 1 28 28 TYR H H 28 8.430 8.430 8.695 -0.265 18797 2659 1 5 . 1 1 29 29 ARG N N 29 129.660 129.660 127.133 2.527 18797 2660 1 5 . 1 1 29 29 ARG C C 29 172.780 172.780 173.691 -0.911 18797 2661 1 5 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.809 -0.809 18797 2662 1 5 . 1 1 29 29 ARG CB C 29 34.010 34.010 35.053 -1.043 18797 2663 1 5 . 1 1 29 29 ARG H H 29 8.670 8.670 7.905 0.765 18797 2664 1 5 . 1 1 30 30 TYR N N 30 127.210 127.210 125.265 1.945 18797 2665 1 5 . 1 1 30 30 TYR C C 30 175.000 175.000 174.092 0.908 18797 2666 1 5 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.629 0.201 18797 2667 1 5 . 1 1 30 30 TYR CB C 30 42.140 42.140 42.203 -0.063 18797 2668 1 5 . 1 1 30 30 TYR H H 30 8.930 8.930 8.201 0.729 18797 2669 1 5 . 1 1 31 31 GLU N N 31 128.090 128.090 126.601 1.489 18797 2670 1 5 . 1 1 31 31 GLU C C 31 174.250 174.250 175.363 -1.113 18797 2671 1 5 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.680 -1.050 18797 2672 1 5 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.918 1.573 18797 2673 1 5 . 1 1 31 31 GLU H H 31 8.170 8.170 7.469 0.701 18797 2674 1 5 . 1 1 32 32 GLU N N 32 122.610 122.610 123.895 -1.285 18797 2675 1 5 . 1 1 32 32 GLU C C 32 176.920 176.920 175.160 1.760 18797 2676 1 5 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.801 -0.231 18797 2677 1 5 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.863 -2.093 18797 2678 1 5 . 1 1 32 32 GLU H H 32 9.120 9.120 8.452 0.668 18797 2679 1 5 . 1 1 33 33 ASP N N 33 121.920 121.920 121.530 0.390 18797 2680 1 5 . 1 1 33 33 ASP C C 33 176.990 176.990 176.768 0.222 18797 2681 1 5 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.794 2.075 18797 2682 1 5 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.810 -1.540 18797 2683 1 5 . 1 1 33 33 ASP H H 33 8.600 8.600 8.475 0.125 18797 2684 1 5 . 1 1 34 34 ASN N N 34 115.300 115.300 117.252 -1.952 18797 2685 1 5 . 1 1 34 34 ASN C C 34 174.280 174.280 176.112 -1.832 18797 2686 1 5 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.816 -2.456 18797 2687 1 5 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.786 -0.836 18797 2688 1 5 . 1 1 34 34 ASN H H 34 8.420 8.420 8.624 -0.204 18797 2689 1 5 . 1 1 35 35 SER N N 35 112.970 112.970 114.082 -1.112 18797 2690 1 5 . 1 1 35 35 SER CA C 35 54.260 54.260 59.291 -5.030 18797 2691 1 5 . 1 1 35 35 SER CB C 35 64.920 64.920 62.804 2.116 18797 2692 1 5 . 1 1 35 35 SER H H 35 7.270 7.270 8.180 -0.910 18797 2693 1 5 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.067 1.293 18797 2694 1 5 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.533 -1.063 18797 2695 1 5 . 1 1 37 37 LEU N N 37 123.000 123.000 122.971 0.029 18797 2696 1 5 . 1 1 37 37 LEU C C 37 176.300 176.300 177.359 -1.059 18797 2697 1 5 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.391 -0.551 18797 2698 1 5 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.708 0.982 18797 2699 1 5 . 1 1 37 37 LEU H H 37 7.910 7.910 8.342 -0.432 18797 2700 1 5 . 1 1 38 38 GLY N N 38 117.320 117.320 108.027 9.293 18797 2701 1 5 . 1 1 38 38 GLY C C 38 172.340 172.340 173.099 -0.759 18797 2702 1 5 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.263 0.167 18797 2703 1 5 . 1 1 38 38 GLY H H 38 9.110 9.110 7.948 1.162 18797 2704 1 5 . 1 1 39 39 VAL N N 39 116.550 116.550 125.724 -9.174 18797 2705 1 5 . 1 1 39 39 VAL C C 39 171.720 171.720 175.474 -3.754 18797 2706 1 5 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.522 -2.522 18797 2707 1 5 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.931 2.679 18797 2708 1 5 . 1 1 39 39 VAL H H 39 7.980 7.980 7.824 0.156 18797 2709 1 5 . 1 1 40 40 ILE N N 40 125.640 125.640 122.437 3.203 18797 2710 1 5 . 1 1 40 40 ILE C C 40 171.600 171.600 174.681 -3.081 18797 2711 1 5 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.174 0.366 18797 2712 1 5 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.531 2.599 18797 2713 1 5 . 1 1 40 40 ILE H H 40 9.160 9.160 8.376 0.784 18797 2714 1 5 . 1 1 41 41 GLY N N 41 111.830 111.830 110.710 1.120 18797 2715 1 5 . 1 1 41 41 GLY C C 41 172.000 172.000 172.260 -0.260 18797 2716 1 5 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.075 -0.924 18797 2717 1 5 . 1 1 41 41 GLY H H 41 8.930 8.930 8.538 0.392 18797 2718 1 5 . 1 1 42 42 SER N N 42 116.940 116.940 119.357 -2.417 18797 2719 1 5 . 1 1 42 42 SER C C 42 172.100 172.100 173.056 -0.956 18797 2720 1 5 . 1 1 42 42 SER CA C 42 56.220 56.220 56.858 -0.638 18797 2721 1 5 . 1 1 42 42 SER CB C 42 62.920 62.920 66.929 -4.009 18797 2722 1 5 . 1 1 42 42 SER H H 42 9.190 9.190 8.228 0.962 18797 2723 1 5 . 1 1 43 43 PHE N N 43 129.230 129.230 123.148 6.082 18797 2724 1 5 . 1 1 43 43 PHE C C 43 172.920 172.920 175.613 -2.693 18797 2725 1 5 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.483 -0.523 18797 2726 1 5 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.017 0.413 18797 2727 1 5 . 1 1 43 43 PHE H H 43 9.300 9.300 8.642 0.658 18797 2728 1 5 . 1 1 44 44 THR N N 44 126.530 126.530 119.422 7.108 18797 2729 1 5 . 1 1 44 44 THR C C 44 171.340 171.340 173.023 -1.683 18797 2730 1 5 . 1 1 44 44 THR CA C 44 60.410 60.410 61.170 -0.760 18797 2731 1 5 . 1 1 44 44 THR CB C 44 70.220 70.220 71.363 -1.143 18797 2732 1 5 . 1 1 44 44 THR H H 44 8.820 8.820 8.517 0.303 18797 2733 1 5 . 1 1 45 45 TYR N N 45 125.840 125.840 128.009 -2.169 18797 2734 1 5 . 1 1 45 45 TYR C C 45 174.000 174.000 174.040 -0.040 18797 2735 1 5 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.071 -0.401 18797 2736 1 5 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.808 -1.808 18797 2737 1 5 . 1 1 45 45 TYR H H 45 8.210 8.210 8.642 -0.432 18797 2738 1 5 . 1 1 46 46 THR N N 46 117.670 117.670 123.774 -6.104 18797 2739 1 5 . 1 1 46 46 THR C C 46 171.910 171.910 172.975 -1.065 18797 2740 1 5 . 1 1 46 46 THR CA C 46 58.720 58.720 60.837 -2.117 18797 2741 1 5 . 1 1 46 46 THR CB C 46 71.710 71.710 70.795 0.915 18797 2742 1 5 . 1 1 46 46 THR H H 46 8.550 8.550 7.846 0.704 18797 2743 1 5 . 1 1 47 47 GLU N N 47 112.160 112.160 124.175 -12.015 18797 2744 1 5 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.864 -0.284 18797 2745 1 5 . 1 1 47 47 GLU CB C 47 32.670 32.670 33.649 -0.979 18797 2746 1 5 . 1 1 47 47 GLU H H 47 8.170 8.170 8.913 -0.743 18797 2747 1 5 . 1 1 49 49 SER CA C 49 58.210 58.210 57.554 0.656 18797 2748 1 5 . 1 1 49 49 SER CB C 49 64.070 64.070 64.126 -0.056 18797 2749 1 5 . 1 1 49 49 SER H H 49 174.130 174.130 8.425 165.705 18797 2750 1 5 . 1 1 50 50 ARG N N 50 124.000 124.000 126.796 -2.796 18797 2751 1 5 . 1 1 50 50 ARG C C 50 176.270 176.270 175.762 0.508 18797 2752 1 5 . 1 1 50 50 ARG CA C 50 55.960 55.960 57.339 -1.379 18797 2753 1 5 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.725 0.255 18797 2754 1 5 . 1 1 50 50 ARG H H 50 8.600 8.600 8.850 -0.250 18797 2755 1 5 . 1 1 51 51 THR N N 51 115.720 115.720 111.980 3.740 18797 2756 1 5 . 1 1 51 51 THR C C 51 174.400 174.400 173.473 0.927 18797 2757 1 5 . 1 1 51 51 THR CA C 51 61.820 61.820 60.366 1.454 18797 2758 1 5 . 1 1 51 51 THR H H 51 8.240 8.240 7.696 0.544 18797 2759 1 5 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.026 -0.026 18797 2760 1 5 . 1 1 52 52 ALA CB C 52 18.800 18.800 19.066 -0.266 18797 2761 1 5 . 1 1 52 52 ALA H H 52 175.230 175.230 8.227 167.003 18797 2762 1 5 . 1 1 53 53 SER N N 53 113.990 113.990 119.356 -5.366 18797 2763 1 5 . 1 1 53 53 SER C C 53 175.360 175.360 175.743 -0.383 18797 2764 1 5 . 1 1 53 53 SER CA C 53 58.350 58.350 57.448 0.902 18797 2765 1 5 . 1 1 53 53 SER CB C 53 62.930 62.930 66.059 -3.129 18797 2766 1 5 . 1 1 53 53 SER H H 53 8.000 8.000 8.495 -0.495 18797 2767 1 5 . 1 1 54 54 SER N N 54 113.510 113.510 118.967 -5.457 18797 2768 1 5 . 1 1 54 54 SER C C 54 173.880 173.880 175.763 -1.883 18797 2769 1 5 . 1 1 54 54 SER CA C 54 58.500 58.500 60.699 -2.199 18797 2770 1 5 . 1 1 54 54 SER CB C 54 62.960 62.960 63.176 -0.216 18797 2771 1 5 . 1 1 54 54 SER H H 54 8.050 8.050 8.815 -0.765 18797 2772 1 5 . 1 1 55 55 GLY N N 55 112.640 112.640 108.758 3.882 18797 2773 1 5 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.697 -0.497 18797 2774 1 5 . 1 1 55 55 GLY H H 55 8.140 8.140 8.169 -0.029 18797 2775 1 5 . 1 1 56 56 ASP CA C 56 54.100 54.100 55.199 -1.099 18797 2776 1 5 . 1 1 56 56 ASP CB C 56 41.000 41.000 40.125 0.875 18797 2777 1 5 . 1 1 56 56 ASP H H 56 175.600 175.600 7.601 167.999 18797 2778 1 5 . 1 1 57 57 TYR N N 57 121.140 121.140 119.376 1.764 18797 2779 1 5 . 1 1 57 57 TYR CA C 57 57.280 57.280 57.797 -0.517 18797 2780 1 5 . 1 1 57 57 TYR CB C 57 38.400 38.400 39.350 -0.950 18797 2781 1 5 . 1 1 57 57 TYR H H 57 8.150 8.150 8.381 -0.231 18797 2782 1 5 . 1 1 59 59 LYS CA C 59 55.410 55.410 56.417 -1.007 18797 2783 1 5 . 1 1 59 59 LYS CB C 59 34.220 34.220 34.069 0.151 18797 2784 1 5 . 1 1 60 60 ASN N N 60 122.740 122.740 117.433 5.307 18797 2785 1 5 . 1 1 60 60 ASN C C 60 175.260 175.260 174.442 0.818 18797 2786 1 5 . 1 1 60 60 ASN CA C 60 52.200 52.200 52.152 0.048 18797 2787 1 5 . 1 1 60 60 ASN CB C 60 40.230 40.230 41.079 -0.849 18797 2788 1 5 . 1 1 60 60 ASN H H 60 8.360 8.360 8.079 0.281 18797 2789 1 5 . 1 1 61 61 GLN N N 61 120.450 120.450 120.479 -0.029 18797 2790 1 5 . 1 1 61 61 GLN C C 61 172.500 172.500 173.839 -1.339 18797 2791 1 5 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.681 0.059 18797 2792 1 5 . 1 1 61 61 GLN CB C 61 34.840 34.840 32.950 1.889 18797 2793 1 5 . 1 1 61 61 GLN H H 61 8.530 8.530 8.400 0.130 18797 2794 1 5 . 1 1 62 62 TYR N N 62 123.620 123.620 123.532 0.088 18797 2795 1 5 . 1 1 62 62 TYR C C 62 171.430 171.430 173.424 -1.994 18797 2796 1 5 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.305 0.535 18797 2797 1 5 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.350 -2.420 18797 2798 1 5 . 1 1 62 62 TYR H H 62 8.610 8.610 8.443 0.167 18797 2799 1 5 . 1 1 63 63 TYR N N 63 123.920 123.920 127.620 -3.700 18797 2800 1 5 . 1 1 63 63 TYR C C 63 174.280 174.280 173.176 1.104 18797 2801 1 5 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.670 -1.090 18797 2802 1 5 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.721 -1.401 18797 2803 1 5 . 1 1 63 63 TYR H H 63 8.400 8.400 7.734 0.666 18797 2804 1 5 . 1 1 64 64 GLY N N 64 107.510 107.510 113.060 -5.550 18797 2805 1 5 . 1 1 64 64 GLY C C 64 174.090 174.090 171.221 2.869 18797 2806 1 5 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.711 0.860 18797 2807 1 5 . 1 1 64 64 GLY H H 64 8.760 8.760 8.172 0.588 18797 2808 1 5 . 1 1 65 65 ILE N N 65 128.470 128.470 123.567 4.903 18797 2809 1 5 . 1 1 65 65 ILE C C 65 174.350 174.350 173.808 0.542 18797 2810 1 5 . 1 1 65 65 ILE CA C 65 59.960 59.960 58.187 1.773 18797 2811 1 5 . 1 1 65 65 ILE CB C 65 39.740 39.740 41.798 -2.058 18797 2812 1 5 . 1 1 65 65 ILE H H 65 8.900 8.900 8.297 0.603 18797 2813 1 5 . 1 1 66 66 THR N N 66 115.890 115.890 121.001 -5.111 18797 2814 1 5 . 1 1 66 66 THR C C 66 172.600 172.600 172.797 -0.197 18797 2815 1 5 . 1 1 66 66 THR CA C 66 58.670 58.670 59.450 -0.780 18797 2816 1 5 . 1 1 66 66 THR CB C 66 73.100 73.100 71.699 1.401 18797 2817 1 5 . 1 1 66 66 THR H H 66 8.900 8.900 8.271 0.629 18797 2818 1 5 . 1 1 67 67 ALA N N 67 119.730 119.730 122.718 -2.988 18797 2819 1 5 . 1 1 67 67 ALA C C 67 176.670 176.670 175.483 1.187 18797 2820 1 5 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.638 0.862 18797 2821 1 5 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.480 -0.420 18797 2822 1 5 . 1 1 67 67 ALA H H 67 9.370 9.370 8.466 0.904 18797 2823 1 5 . 1 1 68 68 GLY N N 68 104.240 104.240 106.465 -2.225 18797 2824 1 5 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.641 1.279 18797 2825 1 5 . 1 1 68 68 GLY H H 68 8.900 8.900 8.048 0.852 18797 2826 1 5 . 1 1 69 69 PRO CA C 69 61.040 61.040 60.992 0.048 18797 2827 1 5 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.715 -0.025 18797 2828 1 5 . 1 1 70 70 ALA N N 70 120.220 120.220 126.962 -6.742 18797 2829 1 5 . 1 1 70 70 ALA C C 70 175.590 175.590 175.749 -0.159 18797 2830 1 5 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.150 -1.660 18797 2831 1 5 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.397 0.583 18797 2832 1 5 . 1 1 70 70 ALA H H 70 7.870 7.870 8.493 -0.623 18797 2833 1 5 . 1 1 71 71 TYR N N 71 126.080 126.080 122.545 3.535 18797 2834 1 5 . 1 1 71 71 TYR C C 71 174.090 174.090 175.186 -1.096 18797 2835 1 5 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.088 -0.968 18797 2836 1 5 . 1 1 71 71 TYR CB C 71 41.920 41.920 41.544 0.376 18797 2837 1 5 . 1 1 71 71 TYR H H 71 9.780 9.780 8.740 1.040 18797 2838 1 5 . 1 1 72 72 ARG N N 72 131.410 131.410 124.783 6.627 18797 2839 1 5 . 1 1 72 72 ARG C C 72 174.160 174.160 175.179 -1.019 18797 2840 1 5 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.196 0.824 18797 2841 1 5 . 1 1 72 72 ARG CB C 72 29.620 29.620 31.102 -1.482 18797 2842 1 5 . 1 1 72 72 ARG H H 72 8.770 8.770 8.713 0.057 18797 2843 1 5 . 1 1 73 73 ILE N N 73 129.550 129.550 125.807 3.743 18797 2844 1 5 . 1 1 73 73 ILE C C 73 175.730 175.730 176.400 -0.670 18797 2845 1 5 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.633 2.317 18797 2846 1 5 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.111 -0.601 18797 2847 1 5 . 1 1 73 73 ILE H H 73 8.400 8.400 8.132 0.268 18797 2848 1 5 . 1 1 74 74 ASN N N 74 114.870 114.870 123.411 -8.541 18797 2849 1 5 . 1 1 74 74 ASN C C 74 174.860 174.860 176.159 -1.299 18797 2850 1 5 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.388 -3.558 18797 2851 1 5 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.677 -1.837 18797 2852 1 5 . 1 1 74 74 ASN H H 74 7.920 7.920 8.836 -0.916 18797 2853 1 5 . 1 1 75 75 ASP N N 75 113.980 113.980 120.386 -6.406 18797 2854 1 5 . 1 1 75 75 ASP C C 75 175.820 175.820 175.071 0.749 18797 2855 1 5 . 1 1 75 75 ASP CA C 75 56.920 56.920 52.785 4.135 18797 2856 1 5 . 1 1 75 75 ASP CB C 75 40.230 40.230 39.320 0.910 18797 2857 1 5 . 1 1 75 75 ASP H H 75 8.320 8.320 8.088 0.232 18797 2858 1 5 . 1 1 76 76 TRP N N 76 113.600 113.600 115.781 -2.181 18797 2859 1 5 . 1 1 76 76 TRP C C 76 176.310 176.310 175.516 0.794 18797 2860 1 5 . 1 1 76 76 TRP CA C 76 55.410 55.410 57.291 -1.881 18797 2861 1 5 . 1 1 76 76 TRP CB C 76 31.160 31.160 26.233 4.927 18797 2862 1 5 . 1 1 76 76 TRP H H 76 7.970 7.970 7.667 0.303 18797 2863 1 5 . 1 1 77 77 ALA N N 77 125.520 125.520 121.138 4.382 18797 2864 1 5 . 1 1 77 77 ALA C C 77 175.620 175.620 177.106 -1.486 18797 2865 1 5 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.003 1.067 18797 2866 1 5 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.253 1.887 18797 2867 1 5 . 1 1 77 77 ALA H H 77 7.740 7.740 7.445 0.295 18797 2868 1 5 . 1 1 78 78 SER N N 78 114.140 114.140 116.148 -2.008 18797 2869 1 5 . 1 1 78 78 SER C C 78 170.060 170.060 173.400 -3.340 18797 2870 1 5 . 1 1 78 78 SER CA C 78 57.250 57.250 60.182 -2.932 18797 2871 1 5 . 1 1 78 78 SER CB C 78 65.320 65.320 64.229 1.091 18797 2872 1 5 . 1 1 78 78 SER H H 78 8.100 8.100 7.638 0.462 18797 2873 1 5 . 1 1 79 79 ILE N N 79 120.650 120.650 122.033 -1.383 18797 2874 1 5 . 1 1 79 79 ILE C C 79 172.470 172.470 173.694 -1.224 18797 2875 1 5 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.132 -1.681 18797 2876 1 5 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.786 0.313 18797 2877 1 5 . 1 1 79 79 ILE H H 79 8.960 8.960 8.527 0.433 18797 2878 1 5 . 1 1 80 80 TYR N N 80 120.580 120.580 126.750 -6.170 18797 2879 1 5 . 1 1 80 80 TYR C C 80 173.000 173.000 173.699 -0.699 18797 2880 1 5 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.020 0.959 18797 2881 1 5 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.336 -0.306 18797 2882 1 5 . 1 1 80 80 TYR H H 80 8.360 8.360 8.377 -0.017 18797 2883 1 5 . 1 1 81 81 GLY N N 81 106.140 106.140 108.870 -2.730 18797 2884 1 5 . 1 1 81 81 GLY C C 81 170.920 170.920 172.308 -1.388 18797 2885 1 5 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.883 0.117 18797 2886 1 5 . 1 1 81 81 GLY H H 81 8.050 8.050 8.264 -0.213 18797 2887 1 5 . 1 1 82 82 VAL N N 82 111.380 111.380 117.546 -6.166 18797 2888 1 5 . 1 1 82 82 VAL C C 82 174.370 174.370 173.448 0.922 18797 2889 1 5 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.517 -1.337 18797 2890 1 5 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.680 -0.240 18797 2891 1 5 . 1 1 82 82 VAL H H 82 8.490 8.490 8.256 0.234 18797 2892 1 5 . 1 1 83 83 VAL N N 83 113.660 113.660 121.799 -8.139 18797 2893 1 5 . 1 1 83 83 VAL C C 83 174.680 174.680 174.425 0.255 18797 2894 1 5 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.117 -0.027 18797 2895 1 5 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.938 0.082 18797 2896 1 5 . 1 1 83 83 VAL H H 83 8.970 8.970 8.288 0.682 18797 2897 1 5 . 1 1 84 84 GLY N N 84 108.310 108.310 114.613 -6.303 18797 2898 1 5 . 1 1 84 84 GLY C C 84 171.440 171.440 171.589 -0.149 18797 2899 1 5 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.380 2.390 18797 2900 1 5 . 1 1 84 84 GLY H H 84 8.480 8.480 8.903 -0.423 18797 2901 1 5 . 1 1 85 85 VAL N N 85 122.520 122.520 120.097 2.423 18797 2902 1 5 . 1 1 85 85 VAL C C 85 172.560 172.560 174.162 -1.602 18797 2903 1 5 . 1 1 85 85 VAL CA C 85 59.170 59.170 58.997 0.173 18797 2904 1 5 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.769 1.041 18797 2905 1 5 . 1 1 85 85 VAL H H 85 8.920 8.920 8.246 0.674 18797 2906 1 5 . 1 1 86 86 GLY N N 86 113.360 113.360 115.762 -2.402 18797 2907 1 5 . 1 1 86 86 GLY C C 86 172.210 172.210 171.776 0.434 18797 2908 1 5 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.619 -0.339 18797 2909 1 5 . 1 1 86 86 GLY H H 86 8.880 8.880 8.530 0.350 18797 2910 1 5 . 1 1 87 87 TYR N N 87 123.830 123.830 119.067 4.763 18797 2911 1 5 . 1 1 87 87 TYR C C 87 174.030 174.030 173.484 0.546 18797 2912 1 5 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.008 0.922 18797 2913 1 5 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.563 0.467 18797 2914 1 5 . 1 1 87 87 TYR H H 87 9.310 9.310 8.185 1.125 18797 2915 1 5 . 1 1 88 88 GLY N N 88 112.300 112.300 106.793 5.507 18797 2916 1 5 . 1 1 88 88 GLY C C 88 170.620 170.620 171.987 -1.367 18797 2917 1 5 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.735 0.665 18797 2918 1 5 . 1 1 88 88 GLY H H 88 8.000 8.000 8.694 -0.694 18797 2919 1 5 . 1 1 89 89 LYS N N 89 122.410 122.410 122.946 -0.536 18797 2920 1 5 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.181 0.299 18797 2921 1 5 . 1 1 89 89 LYS H H 89 8.230 8.230 8.436 -0.206 18797 2922 1 5 . 1 1 90 90 PHE C C 90 175.190 175.190 174.070 1.120 18797 2923 1 5 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.729 -1.699 18797 2924 1 5 . 1 1 90 90 PHE CB C 90 40.510 40.510 42.042 -1.532 18797 2925 1 5 . 1 1 91 91 GLN N N 91 122.380 122.380 128.901 -6.521 18797 2926 1 5 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.944 0.386 18797 2927 1 5 . 1 1 91 91 GLN CB C 91 29.700 29.700 30.641 -0.941 18797 2928 1 5 . 1 1 91 91 GLN H H 91 8.370 8.370 8.038 0.332 18797 2929 1 5 . 1 1 94 94 GLU N N 94 175.780 175.780 124.505 51.275 18797 2930 1 5 . 1 1 94 94 GLU CA C 94 57.030 57.030 57.014 0.015 18797 2931 1 5 . 1 1 94 94 GLU CB C 94 29.460 29.460 28.760 0.700 18797 2932 1 5 . 1 1 95 95 TYR N N 95 120.240 120.240 120.568 -0.328 18797 2933 1 5 . 1 1 95 95 TYR CA C 95 55.290 55.290 55.869 -0.579 18797 2934 1 5 . 1 1 95 95 TYR CB C 95 37.730 37.730 38.230 -0.499 18797 2935 1 5 . 1 1 95 95 TYR H H 95 7.830 7.830 8.273 -0.443 18797 2936 1 5 . 1 1 97 97 THR CA C 97 62.210 62.210 59.910 2.300 18797 2937 1 5 . 1 1 97 97 THR H H 97 174.320 174.320 7.430 166.890 18797 2938 1 5 . 1 1 98 98 TYR N N 98 122.540 122.540 123.452 -0.912 18797 2939 1 5 . 1 1 98 98 TYR C C 98 175.000 175.000 177.468 -2.468 18797 2940 1 5 . 1 1 98 98 TYR CA C 98 57.530 57.530 61.199 -3.669 18797 2941 1 5 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.446 -0.096 18797 2942 1 5 . 1 1 98 98 TYR H H 98 8.040 8.040 8.869 -0.829 18797 2943 1 5 . 1 1 101 101 ASP CA C 101 54.020 54.020 55.201 -1.181 18797 2944 1 5 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.434 -1.734 18797 2945 1 5 . 1 1 101 101 ASP H H 101 176.040 176.040 7.582 168.458 18797 2946 1 5 . 1 1 102 102 THR N N 102 117.650 117.650 120.064 -2.414 18797 2947 1 5 . 1 1 102 102 THR C C 102 173.840 173.840 173.415 0.425 18797 2948 1 5 . 1 1 102 102 THR CA C 102 61.590 61.590 62.477 -0.887 18797 2949 1 5 . 1 1 102 102 THR CB C 102 69.970 69.970 71.232 -1.262 18797 2950 1 5 . 1 1 102 102 THR H H 102 8.520 8.520 8.311 0.209 18797 2951 1 5 . 1 1 103 103 SER N N 103 119.470 119.470 120.127 -0.657 18797 2952 1 5 . 1 1 103 103 SER C C 103 173.580 173.580 172.743 0.837 18797 2953 1 5 . 1 1 103 103 SER CA C 103 57.310 57.310 57.173 0.137 18797 2954 1 5 . 1 1 103 103 SER H H 103 8.240 8.240 8.513 -0.273 18797 2955 1 5 . 1 1 104 104 ASP N N 104 122.250 122.250 125.159 -2.909 18797 2956 1 5 . 1 1 104 104 ASP C C 104 173.100 173.100 173.974 -0.874 18797 2957 1 5 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.047 -0.448 18797 2958 1 5 . 1 1 104 104 ASP CB C 104 44.060 44.060 43.060 1.000 18797 2959 1 5 . 1 1 104 104 ASP H H 104 8.270 8.270 8.404 -0.134 18797 2960 1 5 . 1 1 105 105 TYR N N 105 116.040 116.040 116.264 -0.224 18797 2961 1 5 . 1 1 105 105 TYR C C 105 175.860 175.860 174.370 1.490 18797 2962 1 5 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.109 -0.559 18797 2963 1 5 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.472 0.158 18797 2964 1 5 . 1 1 105 105 TYR H H 105 8.560 8.560 8.175 0.385 18797 2965 1 5 . 1 1 106 106 GLY N N 106 108.500 108.500 107.441 1.059 18797 2966 1 5 . 1 1 106 106 GLY C C 106 172.030 172.030 171.416 0.614 18797 2967 1 5 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.036 0.454 18797 2968 1 5 . 1 1 106 106 GLY H H 106 9.190 9.190 8.696 0.494 18797 2969 1 5 . 1 1 107 107 PHE N N 107 121.420 121.420 119.294 2.126 18797 2970 1 5 . 1 1 107 107 PHE C C 107 175.430 175.430 175.662 -0.232 18797 2971 1 5 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.914 0.625 18797 2972 1 5 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.280 -1.080 18797 2973 1 5 . 1 1 107 107 PHE H H 107 8.860 8.860 8.630 0.230 18797 2974 1 5 . 1 1 108 108 SER N N 108 123.250 123.250 118.793 4.457 18797 2975 1 5 . 1 1 108 108 SER C C 108 171.430 171.430 173.153 -1.723 18797 2976 1 5 . 1 1 108 108 SER CA C 108 56.100 56.100 56.806 -0.706 18797 2977 1 5 . 1 1 108 108 SER CB C 108 65.720 65.720 66.432 -0.712 18797 2978 1 5 . 1 1 108 108 SER H H 108 8.110 8.110 8.988 -0.878 18797 2979 1 5 . 1 1 109 109 TYR N N 109 117.840 117.840 123.792 -5.952 18797 2980 1 5 . 1 1 109 109 TYR C C 109 173.560 173.560 173.812 -0.252 18797 2981 1 5 . 1 1 109 109 TYR CA C 109 55.320 55.320 57.307 -1.987 18797 2982 1 5 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.837 -3.277 18797 2983 1 5 . 1 1 109 109 TYR H H 109 8.480 8.480 8.490 -0.010 18797 2984 1 5 . 1 1 110 110 GLY N N 110 106.400 106.400 109.839 -3.439 18797 2985 1 5 . 1 1 110 110 GLY C C 110 171.350 171.350 171.074 0.276 18797 2986 1 5 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.627 1.533 18797 2987 1 5 . 1 1 110 110 GLY H H 110 8.980 8.980 7.785 1.195 18797 2988 1 5 . 1 1 111 111 ALA N N 111 119.140 119.140 120.149 -1.009 18797 2989 1 5 . 1 1 111 111 ALA C C 111 174.640 174.640 174.870 -0.230 18797 2990 1 5 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.612 0.358 18797 2991 1 5 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.774 -0.624 18797 2992 1 5 . 1 1 111 111 ALA H H 111 8.390 8.390 8.090 0.300 18797 2993 1 5 . 1 1 112 112 GLY N N 112 106.070 106.070 106.490 -0.420 18797 2994 1 5 . 1 1 112 112 GLY C C 112 169.770 169.770 171.637 -1.867 18797 2995 1 5 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.094 1.176 18797 2996 1 5 . 1 1 112 112 GLY H H 112 7.820 7.820 7.349 0.471 18797 2997 1 5 . 1 1 113 113 LEU N N 113 116.370 116.370 119.865 -3.495 18797 2998 1 5 . 1 1 113 113 LEU C C 113 175.090 175.090 175.696 -0.606 18797 2999 1 5 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.645 -0.955 18797 3000 1 5 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.282 0.278 18797 3001 1 5 . 1 1 113 113 LEU H H 113 8.930 8.930 8.567 0.363 18797 3002 1 5 . 1 1 114 114 GLN N N 114 115.860 115.860 120.611 -4.751 18797 3003 1 5 . 1 1 114 114 GLN C C 114 176.910 176.910 174.527 2.383 18797 3004 1 5 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.645 -0.915 18797 3005 1 5 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.531 0.759 18797 3006 1 5 . 1 1 114 114 GLN H H 114 7.860 7.860 8.466 -0.606 18797 3007 1 5 . 1 1 115 115 PHE N N 115 126.580 126.580 126.901 -0.321 18797 3008 1 5 . 1 1 115 115 PHE C C 115 175.740 175.740 172.907 2.833 18797 3009 1 5 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.519 -2.319 18797 3010 1 5 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.915 1.455 18797 3011 1 5 . 1 1 115 115 PHE H H 115 9.750 9.750 8.846 0.904 18797 3012 1 5 . 1 1 116 116 ASN N N 116 119.920 119.920 124.830 -4.910 18797 3013 1 5 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.121 1.079 18797 3014 1 5 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.186 0.464 18797 3015 1 5 . 1 1 116 116 ASN H H 116 9.450 9.450 8.089 1.361 18797 3016 1 5 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.934 1.766 18797 3017 1 5 . 1 1 118 118 MET N N 118 110.530 110.530 118.841 -8.311 18797 3018 1 5 . 1 1 118 118 MET C C 118 176.130 176.130 177.049 -0.919 18797 3019 1 5 . 1 1 118 118 MET CA C 118 53.980 53.980 55.357 -1.377 18797 3020 1 5 . 1 1 118 118 MET CB C 118 36.310 36.310 31.892 4.418 18797 3021 1 5 . 1 1 118 118 MET H H 118 7.310 7.310 8.192 -0.882 18797 3022 1 5 . 1 1 119 119 GLU N N 119 120.320 120.320 115.409 4.911 18797 3023 1 5 . 1 1 119 119 GLU C C 119 176.810 176.810 177.426 -0.616 18797 3024 1 5 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.203 2.397 18797 3025 1 5 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.133 0.017 18797 3026 1 5 . 1 1 119 119 GLU H H 119 9.120 9.120 8.517 0.603 18797 3027 1 5 . 1 1 120 120 ASN N N 120 112.490 112.490 117.024 -4.534 18797 3028 1 5 . 1 1 120 120 ASN C C 120 174.080 174.080 176.343 -2.263 18797 3029 1 5 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.508 -2.108 18797 3030 1 5 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.015 0.815 18797 3031 1 5 . 1 1 120 120 ASN H H 120 8.430 8.430 8.995 -0.565 18797 3032 1 5 . 1 1 121 121 VAL N N 121 117.760 117.760 114.287 3.473 18797 3033 1 5 . 1 1 121 121 VAL C C 121 174.750 174.750 175.479 -0.729 18797 3034 1 5 . 1 1 121 121 VAL CA C 121 60.690 60.690 61.838 -1.148 18797 3035 1 5 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.651 5.249 18797 3036 1 5 . 1 1 121 121 VAL H H 121 7.500 7.500 7.304 0.196 18797 3037 1 5 . 1 1 122 122 ALA N N 122 127.190 127.190 123.459 3.731 18797 3038 1 5 . 1 1 122 122 ALA C C 122 175.140 175.140 175.492 -0.352 18797 3039 1 5 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.812 -1.422 18797 3040 1 5 . 1 1 122 122 ALA CB C 122 22.820 22.820 22.187 0.633 18797 3041 1 5 . 1 1 122 122 ALA H H 122 8.230 8.230 7.276 0.954 18797 3042 1 5 . 1 1 123 123 LEU N N 123 120.270 120.270 121.642 -1.372 18797 3043 1 5 . 1 1 123 123 LEU C C 123 174.310 174.310 175.440 -1.130 18797 3044 1 5 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.260 0.400 18797 3045 1 5 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.172 -1.662 18797 3046 1 5 . 1 1 123 123 LEU H H 123 8.910 8.910 8.576 0.334 18797 3047 1 5 . 1 1 124 124 ASP N N 124 127.350 127.350 120.855 6.495 18797 3048 1 5 . 1 1 124 124 ASP C C 124 171.830 171.830 174.237 -2.407 18797 3049 1 5 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.930 0.890 18797 3050 1 5 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.993 2.497 18797 3051 1 5 . 1 1 124 124 ASP H H 124 8.580 8.580 8.056 0.524 18797 3052 1 5 . 1 1 125 125 PHE N N 125 123.390 123.390 123.488 -0.098 18797 3053 1 5 . 1 1 125 125 PHE C C 125 174.130 174.130 174.403 -0.273 18797 3054 1 5 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.193 -0.533 18797 3055 1 5 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.138 -0.438 18797 3056 1 5 . 1 1 125 125 PHE H H 125 8.670 8.670 8.347 0.323 18797 3057 1 5 . 1 1 126 126 SER N N 126 118.680 118.680 116.170 2.510 18797 3058 1 5 . 1 1 126 126 SER C C 126 169.980 169.980 172.412 -2.432 18797 3059 1 5 . 1 1 126 126 SER CA C 126 58.120 58.120 56.600 1.520 18797 3060 1 5 . 1 1 126 126 SER CB C 126 66.950 66.950 66.144 0.805 18797 3061 1 5 . 1 1 126 126 SER H H 126 9.390 9.390 8.135 1.255 18797 3062 1 5 . 1 1 127 127 TYR N N 127 119.080 119.080 121.638 -2.558 18797 3063 1 5 . 1 1 127 127 TYR C C 127 174.390 174.390 174.782 -0.392 18797 3064 1 5 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.468 -1.028 18797 3065 1 5 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.990 1.110 18797 3066 1 5 . 1 1 127 127 TYR H H 127 8.610 8.610 8.611 -0.001 18797 3067 1 5 . 1 1 128 128 GLU N N 128 130.070 130.070 121.453 8.617 18797 3068 1 5 . 1 1 128 128 GLU C C 128 172.590 172.590 175.058 -2.468 18797 3069 1 5 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.311 -0.181 18797 3070 1 5 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.794 -0.294 18797 3071 1 5 . 1 1 128 128 GLU H H 128 8.510 8.510 9.059 -0.549 18797 3072 1 5 . 1 1 129 129 GLN N N 129 128.670 128.670 124.905 3.765 18797 3073 1 5 . 1 1 129 129 GLN C C 129 173.690 173.690 175.359 -1.669 18797 3074 1 5 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.711 -0.501 18797 3075 1 5 . 1 1 129 129 GLN CB C 129 31.050 31.050 33.167 -2.117 18797 3076 1 5 . 1 1 129 129 GLN H H 129 9.330 9.330 8.891 0.439 18797 3077 1 5 . 1 1 130 130 SER N N 130 118.630 118.630 118.656 -0.026 18797 3078 1 5 . 1 1 130 130 SER C C 130 174.210 174.210 174.219 -0.009 18797 3079 1 5 . 1 1 130 130 SER CA C 130 56.450 56.450 57.463 -1.013 18797 3080 1 5 . 1 1 130 130 SER CB C 130 66.260 66.260 65.302 0.958 18797 3081 1 5 . 1 1 130 130 SER H H 130 8.580 8.580 8.132 0.448 18797 3082 1 5 . 1 1 131 131 ARG N N 131 126.850 126.850 122.992 3.858 18797 3083 1 5 . 1 1 131 131 ARG C C 131 174.740 174.740 176.521 -1.781 18797 3084 1 5 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.645 -0.305 18797 3085 1 5 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.616 -0.706 18797 3086 1 5 . 1 1 131 131 ARG H H 131 7.690 7.690 8.839 -1.149 18797 3087 1 5 . 1 1 132 132 ILE N N 132 129.470 129.470 119.581 9.889 18797 3088 1 5 . 1 1 132 132 ILE C C 132 175.500 175.500 176.027 -0.527 18797 3089 1 5 . 1 1 132 132 ILE CA C 132 58.890 58.890 60.908 -2.018 18797 3090 1 5 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.688 0.632 18797 3091 1 5 . 1 1 132 132 ILE H H 132 8.730 8.730 8.508 0.222 18797 3092 1 5 . 1 1 133 133 ARG N N 133 127.220 127.220 128.609 -1.389 18797 3093 1 5 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.498 2.612 18797 3094 1 5 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.220 -3.900 18797 3095 1 5 . 1 1 133 133 ARG H H 133 9.400 9.400 8.534 0.866 18797 3096 1 5 . 1 1 134 134 SER C C 134 173.290 173.290 173.196 0.094 18797 3097 1 5 . 1 1 134 134 SER CA C 134 58.490 58.490 60.222 -1.732 18797 3098 1 5 . 1 1 134 134 SER CB C 134 62.860 62.860 63.151 -0.291 18797 3099 1 5 . 1 1 135 135 VAL N N 135 124.810 124.810 121.265 3.545 18797 3100 1 5 . 1 1 135 135 VAL C C 135 174.650 174.650 174.386 0.264 18797 3101 1 5 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.360 0.510 18797 3102 1 5 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.172 -2.112 18797 3103 1 5 . 1 1 135 135 VAL H H 135 8.270 8.270 7.390 0.880 18797 3104 1 5 . 1 1 136 136 ASP N N 136 127.750 127.750 125.894 1.856 18797 3105 1 5 . 1 1 136 136 ASP C C 136 175.130 175.130 175.686 -0.556 18797 3106 1 5 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.971 1.249 18797 3107 1 5 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.823 -1.073 18797 3108 1 5 . 1 1 136 136 ASP H H 136 8.010 8.010 8.458 -0.448 18797 3109 1 5 . 1 1 137 137 VAL N N 137 124.520 124.520 124.504 0.016 18797 3110 1 5 . 1 1 137 137 VAL C C 137 174.690 174.690 175.571 -0.881 18797 3111 1 5 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.405 -0.955 18797 3112 1 5 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.424 -0.624 18797 3113 1 5 . 1 1 137 137 VAL H H 137 8.720 8.720 7.778 0.942 18797 3114 1 5 . 1 1 138 138 GLY N N 138 116.920 116.920 114.815 2.105 18797 3115 1 5 . 1 1 138 138 GLY C C 138 172.930 172.930 173.048 -0.118 18797 3116 1 5 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.505 -0.025 18797 3117 1 5 . 1 1 138 138 GLY H H 138 8.240 8.240 8.524 -0.284 18797 3118 1 5 . 1 1 139 139 THR N N 139 125.070 125.070 122.469 2.601 18797 3119 1 5 . 1 1 139 139 THR C C 139 171.920 171.920 172.941 -1.021 18797 3120 1 5 . 1 1 139 139 THR CA C 139 60.890 60.890 61.749 -0.859 18797 3121 1 5 . 1 1 139 139 THR CB C 139 70.290 70.290 72.025 -1.735 18797 3122 1 5 . 1 1 139 139 THR H H 139 8.710 8.710 8.496 0.214 18797 3123 1 5 . 1 1 140 140 TRP N N 140 125.840 125.840 129.998 -4.158 18797 3124 1 5 . 1 1 140 140 TRP C C 140 175.070 175.070 173.953 1.117 18797 3125 1 5 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.623 -0.492 18797 3126 1 5 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.808 -0.708 18797 3127 1 5 . 1 1 140 140 TRP H H 140 8.330 8.330 8.570 -0.240 18797 3128 1 5 . 1 1 141 141 ILE N N 141 123.240 123.240 120.134 3.106 18797 3129 1 5 . 1 1 141 141 ILE C C 141 174.870 174.870 172.927 1.943 18797 3130 1 5 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.152 2.238 18797 3131 1 5 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.797 -1.167 18797 3132 1 5 . 1 1 141 141 ILE H H 141 8.980 8.980 8.083 0.897 18797 3133 1 5 . 1 1 142 142 ALA N N 142 127.680 127.680 124.435 3.245 18797 3134 1 5 . 1 1 142 142 ALA C C 142 175.700 175.700 175.476 0.224 18797 3135 1 5 . 1 1 142 142 ALA CA C 142 50.530 50.530 49.897 0.633 18797 3136 1 5 . 1 1 142 142 ALA CB C 142 22.210 22.210 21.856 0.354 18797 3137 1 5 . 1 1 142 142 ALA H H 142 8.350 8.350 7.757 0.593 18797 3138 1 5 . 1 1 143 143 GLY N N 143 109.030 109.030 109.598 -0.568 18797 3139 1 5 . 1 1 143 143 GLY C C 143 172.090 172.090 171.558 0.532 18797 3140 1 5 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.136 1.294 18797 3141 1 5 . 1 1 143 143 GLY H H 143 9.520 9.520 7.885 1.635 18797 3142 1 5 . 1 1 144 144 VAL N N 144 114.110 114.110 120.368 -6.258 18797 3143 1 5 . 1 1 144 144 VAL C C 144 174.010 174.010 175.366 -1.356 18797 3144 1 5 . 1 1 144 144 VAL CA C 144 58.270 58.270 60.678 -2.408 18797 3145 1 5 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.376 1.114 18797 3146 1 5 . 1 1 144 144 VAL H H 144 8.750 8.750 8.383 0.367 18797 3147 1 5 . 1 1 145 145 GLY N N 145 107.360 107.360 112.778 -5.418 18797 3148 1 5 . 1 1 145 145 GLY C C 145 171.210 171.210 171.560 -0.350 18797 3149 1 5 . 1 1 145 145 GLY CA C 145 46.770 46.770 43.631 3.139 18797 3150 1 5 . 1 1 145 145 GLY H H 145 8.590 8.590 8.628 -0.038 18797 3151 1 5 . 1 1 146 146 TYR N N 146 121.960 121.960 120.892 1.068 18797 3152 1 5 . 1 1 146 146 TYR C C 146 172.440 172.440 173.749 -1.309 18797 3153 1 5 . 1 1 146 146 TYR CA C 146 55.250 55.250 56.212 -0.962 18797 3154 1 5 . 1 1 146 146 TYR CB C 146 44.270 44.270 43.181 1.089 18797 3155 1 5 . 1 1 146 146 TYR H H 146 8.370 8.370 8.461 -0.091 18797 3156 1 5 . 1 1 147 147 ARG N N 147 129.590 129.590 124.700 4.890 18797 3157 1 5 . 1 1 147 147 ARG C C 147 173.850 173.850 174.599 -0.749 18797 3158 1 5 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.521 -1.161 18797 3159 1 5 . 1 1 147 147 ARG CB C 147 32.420 32.420 32.987 -0.567 18797 3160 1 5 . 1 1 147 147 ARG H H 147 7.690 7.690 7.691 -0.001 18797 3161 1 6 . 1 1 2 2 THR N N 2 114.280 114.280 116.655 -2.375 18797 3162 1 6 . 1 1 2 2 THR C C 2 173.570 173.570 173.064 0.506 18797 3163 1 6 . 1 1 2 2 THR CA C 2 61.040 61.040 62.095 -1.055 18797 3164 1 6 . 1 1 2 2 THR CB C 2 71.930 71.930 70.963 0.967 18797 3165 1 6 . 1 1 2 2 THR H H 2 8.490 8.490 8.080 0.410 18797 3166 1 6 . 1 1 3 3 SER N N 3 122.430 122.430 117.894 4.536 18797 3167 1 6 . 1 1 3 3 SER C C 3 172.590 172.590 172.757 -0.167 18797 3168 1 6 . 1 1 3 3 SER CA C 3 56.760 56.760 57.024 -0.264 18797 3169 1 6 . 1 1 3 3 SER CB C 3 65.480 65.480 65.267 0.213 18797 3170 1 6 . 1 1 3 3 SER H H 3 9.000 9.000 8.485 0.515 18797 3171 1 6 . 1 1 4 4 THR N N 4 117.240 117.240 115.563 1.677 18797 3172 1 6 . 1 1 4 4 THR C C 4 174.640 174.640 173.359 1.281 18797 3173 1 6 . 1 1 4 4 THR CA C 4 61.390 61.390 59.825 1.565 18797 3174 1 6 . 1 1 4 4 THR CB C 4 70.680 70.680 71.288 -0.608 18797 3175 1 6 . 1 1 4 4 THR H H 4 8.610 8.610 7.981 0.629 18797 3176 1 6 . 1 1 5 5 VAL N N 5 129.440 129.440 122.845 6.595 18797 3177 1 6 . 1 1 5 5 VAL C C 5 174.770 174.770 174.702 0.068 18797 3178 1 6 . 1 1 5 5 VAL CA C 5 59.760 59.760 61.516 -1.756 18797 3179 1 6 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.732 -0.242 18797 3180 1 6 . 1 1 5 5 VAL H H 5 8.750 8.750 7.793 0.957 18797 3181 1 6 . 1 1 6 6 THR N N 6 116.430 116.430 123.306 -6.876 18797 3182 1 6 . 1 1 6 6 THR C C 6 172.930 172.930 173.327 -0.397 18797 3183 1 6 . 1 1 6 6 THR CA C 6 58.590 58.590 61.013 -2.423 18797 3184 1 6 . 1 1 6 6 THR CB C 6 70.930 70.930 72.078 -1.148 18797 3185 1 6 . 1 1 6 6 THR H H 6 8.890 8.890 8.144 0.746 18797 3186 1 6 . 1 1 7 7 GLY N N 7 105.590 105.590 110.934 -5.344 18797 3187 1 6 . 1 1 7 7 GLY C C 7 172.430 172.430 172.060 0.370 18797 3188 1 6 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.918 0.402 18797 3189 1 6 . 1 1 7 7 GLY H H 7 8.760 8.760 8.391 0.369 18797 3190 1 6 . 1 1 8 8 GLY N N 8 106.530 106.530 109.785 -3.255 18797 3191 1 6 . 1 1 8 8 GLY C C 8 173.030 173.030 171.487 1.543 18797 3192 1 6 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.839 1.091 18797 3193 1 6 . 1 1 8 8 GLY H H 8 9.100 9.100 8.182 0.918 18797 3194 1 6 . 1 1 9 9 TYR N N 9 121.730 121.730 120.428 1.302 18797 3195 1 6 . 1 1 9 9 TYR C C 9 172.390 172.390 173.122 -0.732 18797 3196 1 6 . 1 1 9 9 TYR CA C 9 56.840 56.840 55.955 0.885 18797 3197 1 6 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.626 -1.546 18797 3198 1 6 . 1 1 9 9 TYR H H 9 8.410 8.410 8.172 0.238 18797 3199 1 6 . 1 1 10 10 ALA N N 10 128.460 128.460 127.225 1.235 18797 3200 1 6 . 1 1 10 10 ALA C C 10 174.020 174.020 174.655 -0.635 18797 3201 1 6 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.377 -1.167 18797 3202 1 6 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.765 -0.545 18797 3203 1 6 . 1 1 10 10 ALA H H 10 6.910 6.910 8.083 -1.173 18797 3204 1 6 . 1 1 11 11 GLN N N 11 118.830 118.830 122.535 -3.705 18797 3205 1 6 . 1 1 11 11 GLN C C 11 175.650 175.650 174.895 0.755 18797 3206 1 6 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.966 -0.136 18797 3207 1 6 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.599 -0.539 18797 3208 1 6 . 1 1 11 11 GLN H H 11 8.100 8.100 8.342 -0.242 18797 3209 1 6 . 1 1 12 12 SER N N 12 124.200 124.200 121.796 2.404 18797 3210 1 6 . 1 1 12 12 SER C C 12 172.710 172.710 173.469 -0.759 18797 3211 1 6 . 1 1 12 12 SER CA C 12 57.190 57.190 56.082 1.108 18797 3212 1 6 . 1 1 12 12 SER CB C 12 64.180 64.180 64.996 -0.816 18797 3213 1 6 . 1 1 12 12 SER H H 12 9.160 9.160 8.524 0.636 18797 3214 1 6 . 1 1 13 13 ASP N N 13 124.950 124.950 127.924 -2.974 18797 3215 1 6 . 1 1 13 13 ASP C C 13 174.860 174.860 174.537 0.323 18797 3216 1 6 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.890 -0.930 18797 3217 1 6 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.915 0.005 18797 3218 1 6 . 1 1 13 13 ASP H H 13 9.070 9.070 8.223 0.847 18797 3219 1 6 . 1 1 14 14 ALA N N 14 128.730 128.730 127.535 1.195 18797 3220 1 6 . 1 1 14 14 ALA C C 14 176.230 176.230 176.508 -0.278 18797 3221 1 6 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.371 -1.561 18797 3222 1 6 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.597 -1.097 18797 3223 1 6 . 1 1 14 14 ALA H H 14 8.560 8.560 8.249 0.311 18797 3224 1 6 . 1 1 15 15 GLN N N 15 122.750 122.750 122.149 0.601 18797 3225 1 6 . 1 1 15 15 GLN C C 15 176.660 176.660 176.397 0.263 18797 3226 1 6 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.746 2.374 18797 3227 1 6 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.574 -2.414 18797 3228 1 6 . 1 1 15 15 GLN H H 15 8.340 8.340 8.470 -0.130 18797 3229 1 6 . 1 1 16 16 GLY N N 16 112.800 112.800 109.485 3.315 18797 3230 1 6 . 1 1 16 16 GLY C C 16 174.400 174.400 173.983 0.417 18797 3231 1 6 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.641 -0.461 18797 3232 1 6 . 1 1 16 16 GLY H H 16 8.650 8.650 8.496 0.154 18797 3233 1 6 . 1 1 17 17 GLN N N 17 119.300 119.300 117.777 1.523 18797 3234 1 6 . 1 1 17 17 GLN C C 17 175.720 175.720 174.935 0.785 18797 3235 1 6 . 1 1 17 17 GLN CA C 17 54.600 54.600 57.044 -2.444 18797 3236 1 6 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.111 5.689 18797 3237 1 6 . 1 1 17 17 GLN H H 17 8.080 8.080 8.840 -0.760 18797 3238 1 6 . 1 1 18 18 MET N N 18 120.170 120.170 116.523 3.647 18797 3239 1 6 . 1 1 18 18 MET C C 18 175.400 175.400 174.443 0.957 18797 3240 1 6 . 1 1 18 18 MET CA C 18 55.980 55.980 54.299 1.681 18797 3241 1 6 . 1 1 18 18 MET CB C 18 35.590 35.590 36.003 -0.413 18797 3242 1 6 . 1 1 18 18 MET H H 18 8.370 8.370 7.689 0.681 18797 3243 1 6 . 1 1 19 19 ASN N N 19 117.900 117.900 119.602 -1.702 18797 3244 1 6 . 1 1 19 19 ASN C C 19 174.400 174.400 174.120 0.280 18797 3245 1 6 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.188 0.112 18797 3246 1 6 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.553 -0.153 18797 3247 1 6 . 1 1 19 19 ASN H H 19 7.990 7.990 8.467 -0.477 18797 3248 1 6 . 1 1 20 20 LYS N N 20 120.800 120.800 120.632 0.168 18797 3249 1 6 . 1 1 20 20 LYS C C 20 176.410 176.410 176.018 0.392 18797 3250 1 6 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.489 -0.789 18797 3251 1 6 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.952 -2.052 18797 3252 1 6 . 1 1 20 20 LYS H H 20 8.340 8.340 8.522 -0.182 18797 3253 1 6 . 1 1 21 21 MET N N 21 120.500 120.500 117.731 2.769 18797 3254 1 6 . 1 1 21 21 MET C C 21 175.270 175.270 174.851 0.419 18797 3255 1 6 . 1 1 21 21 MET CA C 21 54.800 54.800 54.648 0.152 18797 3256 1 6 . 1 1 21 21 MET CB C 21 34.730 34.730 37.732 -3.002 18797 3257 1 6 . 1 1 21 21 MET H H 21 8.580 8.580 7.980 0.600 18797 3258 1 6 . 1 1 22 22 GLY N N 22 111.280 111.280 108.220 3.060 18797 3259 1 6 . 1 1 22 22 GLY C C 22 174.030 174.030 172.278 1.752 18797 3260 1 6 . 1 1 22 22 GLY CA C 22 43.810 43.810 44.039 -0.229 18797 3261 1 6 . 1 1 22 22 GLY H H 22 8.430 8.430 8.309 0.121 18797 3262 1 6 . 1 1 23 23 GLY N N 23 120.170 120.170 110.861 9.309 18797 3263 1 6 . 1 1 23 23 GLY C C 23 171.850 171.850 172.002 -0.152 18797 3264 1 6 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.177 2.973 18797 3265 1 6 . 1 1 23 23 GLY H H 23 8.180 8.180 7.777 0.403 18797 3266 1 6 . 1 1 24 24 PHE N N 24 121.370 121.370 121.323 0.047 18797 3267 1 6 . 1 1 24 24 PHE C C 24 171.570 171.570 174.658 -3.088 18797 3268 1 6 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.859 -2.129 18797 3269 1 6 . 1 1 24 24 PHE CB C 24 43.510 43.510 41.848 1.662 18797 3270 1 6 . 1 1 24 24 PHE H H 24 9.230 9.230 8.666 0.564 18797 3271 1 6 . 1 1 25 25 ASN N N 25 118.950 118.950 121.460 -2.510 18797 3272 1 6 . 1 1 25 25 ASN C C 25 172.080 172.080 173.654 -1.574 18797 3273 1 6 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.098 -1.228 18797 3274 1 6 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.387 4.063 18797 3275 1 6 . 1 1 25 25 ASN H H 25 8.520 8.520 8.524 -0.004 18797 3276 1 6 . 1 1 26 26 LEU N N 26 126.150 126.150 124.439 1.711 18797 3277 1 6 . 1 1 26 26 LEU C C 26 175.620 175.620 175.154 0.466 18797 3278 1 6 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.264 0.226 18797 3279 1 6 . 1 1 26 26 LEU CB C 26 46.630 46.630 44.833 1.797 18797 3280 1 6 . 1 1 26 26 LEU H H 26 9.340 9.340 8.391 0.949 18797 3281 1 6 . 1 1 27 27 LYS N N 27 117.980 117.980 122.763 -4.783 18797 3282 1 6 . 1 1 27 27 LYS C C 27 175.120 175.120 174.427 0.693 18797 3283 1 6 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.556 0.634 18797 3284 1 6 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.627 -0.057 18797 3285 1 6 . 1 1 27 27 LYS H H 27 8.850 8.850 8.241 0.609 18797 3286 1 6 . 1 1 28 28 TYR N N 28 120.820 120.820 122.979 -2.159 18797 3287 1 6 . 1 1 28 28 TYR C C 28 172.480 172.480 174.923 -2.443 18797 3288 1 6 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.118 0.162 18797 3289 1 6 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.003 -0.103 18797 3290 1 6 . 1 1 28 28 TYR H H 28 8.430 8.430 8.676 -0.246 18797 3291 1 6 . 1 1 29 29 ARG N N 29 129.660 129.660 119.419 10.241 18797 3292 1 6 . 1 1 29 29 ARG C C 29 172.780 172.780 174.458 -1.678 18797 3293 1 6 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.223 -1.223 18797 3294 1 6 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.727 -0.717 18797 3295 1 6 . 1 1 29 29 ARG H H 29 8.670 8.670 8.411 0.259 18797 3296 1 6 . 1 1 30 30 TYR N N 30 127.210 127.210 121.037 6.173 18797 3297 1 6 . 1 1 30 30 TYR C C 30 175.000 175.000 175.309 -0.309 18797 3298 1 6 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.683 0.147 18797 3299 1 6 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.785 1.355 18797 3300 1 6 . 1 1 30 30 TYR H H 30 8.930 8.930 8.332 0.598 18797 3301 1 6 . 1 1 31 31 GLU N N 31 128.090 128.090 122.687 5.403 18797 3302 1 6 . 1 1 31 31 GLU C C 31 174.250 174.250 176.257 -2.007 18797 3303 1 6 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.527 -0.897 18797 3304 1 6 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.454 2.036 18797 3305 1 6 . 1 1 31 31 GLU H H 31 8.170 8.170 8.624 -0.454 18797 3306 1 6 . 1 1 32 32 GLU N N 32 122.610 122.610 122.977 -0.367 18797 3307 1 6 . 1 1 32 32 GLU C C 32 176.920 176.920 175.514 1.406 18797 3308 1 6 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.085 -0.515 18797 3309 1 6 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.578 -1.808 18797 3310 1 6 . 1 1 32 32 GLU H H 32 9.120 9.120 8.537 0.583 18797 3311 1 6 . 1 1 33 33 ASP N N 33 121.920 121.920 121.822 0.098 18797 3312 1 6 . 1 1 33 33 ASP C C 33 176.990 176.990 176.719 0.271 18797 3313 1 6 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.466 2.404 18797 3314 1 6 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.855 -1.585 18797 3315 1 6 . 1 1 33 33 ASP H H 33 8.600 8.600 8.486 0.114 18797 3316 1 6 . 1 1 34 34 ASN N N 34 115.300 115.300 117.599 -2.299 18797 3317 1 6 . 1 1 34 34 ASN C C 34 174.280 174.280 176.240 -1.960 18797 3318 1 6 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.701 -2.341 18797 3319 1 6 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.653 -0.703 18797 3320 1 6 . 1 1 34 34 ASN H H 34 8.420 8.420 8.518 -0.098 18797 3321 1 6 . 1 1 35 35 SER N N 35 112.970 112.970 114.331 -1.361 18797 3322 1 6 . 1 1 35 35 SER CA C 35 54.260 54.260 58.241 -3.981 18797 3323 1 6 . 1 1 35 35 SER CB C 35 64.920 64.920 63.397 1.524 18797 3324 1 6 . 1 1 35 35 SER H H 35 7.270 7.270 8.016 -0.746 18797 3325 1 6 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.064 1.296 18797 3326 1 6 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.704 -1.234 18797 3327 1 6 . 1 1 37 37 LEU N N 37 123.000 123.000 122.551 0.449 18797 3328 1 6 . 1 1 37 37 LEU C C 37 176.300 176.300 177.511 -1.211 18797 3329 1 6 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.466 -0.626 18797 3330 1 6 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.756 0.934 18797 3331 1 6 . 1 1 37 37 LEU H H 37 7.910 7.910 8.339 -0.429 18797 3332 1 6 . 1 1 38 38 GLY N N 38 117.320 117.320 109.506 7.814 18797 3333 1 6 . 1 1 38 38 GLY C C 38 172.340 172.340 173.136 -0.796 18797 3334 1 6 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.138 0.292 18797 3335 1 6 . 1 1 38 38 GLY H H 38 9.110 9.110 8.177 0.933 18797 3336 1 6 . 1 1 39 39 VAL N N 39 116.550 116.550 124.722 -8.172 18797 3337 1 6 . 1 1 39 39 VAL C C 39 171.720 171.720 175.872 -4.152 18797 3338 1 6 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.843 -2.843 18797 3339 1 6 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.837 2.773 18797 3340 1 6 . 1 1 39 39 VAL H H 39 7.980 7.980 8.478 -0.498 18797 3341 1 6 . 1 1 40 40 ILE N N 40 125.640 125.640 122.079 3.561 18797 3342 1 6 . 1 1 40 40 ILE C C 40 171.600 171.600 174.658 -3.058 18797 3343 1 6 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.327 0.213 18797 3344 1 6 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.906 2.224 18797 3345 1 6 . 1 1 40 40 ILE H H 40 9.160 9.160 8.436 0.724 18797 3346 1 6 . 1 1 41 41 GLY N N 41 111.830 111.830 110.494 1.336 18797 3347 1 6 . 1 1 41 41 GLY C C 41 172.000 172.000 171.699 0.301 18797 3348 1 6 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.419 -1.269 18797 3349 1 6 . 1 1 41 41 GLY H H 41 8.930 8.930 8.324 0.606 18797 3350 1 6 . 1 1 42 42 SER N N 42 116.940 116.940 117.664 -0.724 18797 3351 1 6 . 1 1 42 42 SER C C 42 172.100 172.100 172.446 -0.346 18797 3352 1 6 . 1 1 42 42 SER CA C 42 56.220 56.220 56.138 0.082 18797 3353 1 6 . 1 1 42 42 SER CB C 42 62.920 62.920 65.810 -2.890 18797 3354 1 6 . 1 1 42 42 SER H H 42 9.190 9.190 8.220 0.970 18797 3355 1 6 . 1 1 43 43 PHE N N 43 129.230 129.230 122.435 6.795 18797 3356 1 6 . 1 1 43 43 PHE C C 43 172.920 172.920 175.298 -2.378 18797 3357 1 6 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.117 -0.157 18797 3358 1 6 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.519 -0.089 18797 3359 1 6 . 1 1 43 43 PHE H H 43 9.300 9.300 8.695 0.605 18797 3360 1 6 . 1 1 44 44 THR N N 44 126.530 126.530 119.031 7.499 18797 3361 1 6 . 1 1 44 44 THR C C 44 171.340 171.340 172.948 -1.608 18797 3362 1 6 . 1 1 44 44 THR CA C 44 60.410 60.410 61.302 -0.892 18797 3363 1 6 . 1 1 44 44 THR CB C 44 70.220 70.220 71.341 -1.121 18797 3364 1 6 . 1 1 44 44 THR H H 44 8.820 8.820 8.486 0.334 18797 3365 1 6 . 1 1 45 45 TYR N N 45 125.840 125.840 128.904 -3.064 18797 3366 1 6 . 1 1 45 45 TYR C C 45 174.000 174.000 174.178 -0.178 18797 3367 1 6 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.037 -0.367 18797 3368 1 6 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.858 -1.858 18797 3369 1 6 . 1 1 45 45 TYR H H 45 8.210 8.210 8.797 -0.587 18797 3370 1 6 . 1 1 46 46 THR N N 46 117.670 117.670 119.040 -1.370 18797 3371 1 6 . 1 1 46 46 THR C C 46 171.910 171.910 173.928 -2.018 18797 3372 1 6 . 1 1 46 46 THR CA C 46 58.720 58.720 59.867 -1.147 18797 3373 1 6 . 1 1 46 46 THR CB C 46 71.710 71.710 70.821 0.889 18797 3374 1 6 . 1 1 46 46 THR H H 46 8.550 8.550 8.049 0.501 18797 3375 1 6 . 1 1 47 47 GLU N N 47 112.160 112.160 122.889 -10.729 18797 3376 1 6 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.176 -0.596 18797 3377 1 6 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.372 -1.702 18797 3378 1 6 . 1 1 47 47 GLU H H 47 8.170 8.170 8.874 -0.704 18797 3379 1 6 . 1 1 49 49 SER CA C 49 58.210 58.210 57.912 0.298 18797 3380 1 6 . 1 1 49 49 SER CB C 49 64.070 64.070 63.528 0.542 18797 3381 1 6 . 1 1 49 49 SER H H 49 174.130 174.130 8.652 165.478 18797 3382 1 6 . 1 1 50 50 ARG N N 50 124.000 124.000 122.298 1.702 18797 3383 1 6 . 1 1 50 50 ARG C C 50 176.270 176.270 176.459 -0.189 18797 3384 1 6 . 1 1 50 50 ARG CA C 50 55.960 55.960 57.707 -1.747 18797 3385 1 6 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.463 0.517 18797 3386 1 6 . 1 1 50 50 ARG H H 50 8.600 8.600 8.511 0.089 18797 3387 1 6 . 1 1 51 51 THR N N 51 115.720 115.720 112.626 3.094 18797 3388 1 6 . 1 1 51 51 THR C C 51 174.400 174.400 173.493 0.907 18797 3389 1 6 . 1 1 51 51 THR CA C 51 61.820 61.820 61.813 0.007 18797 3390 1 6 . 1 1 51 51 THR H H 51 8.240 8.240 7.847 0.393 18797 3391 1 6 . 1 1 52 52 ALA CA C 52 52.000 52.000 51.832 0.168 18797 3392 1 6 . 1 1 52 52 ALA CB C 52 18.800 18.800 18.684 0.115 18797 3393 1 6 . 1 1 52 52 ALA H H 52 175.230 175.230 8.482 166.748 18797 3394 1 6 . 1 1 53 53 SER N N 53 113.990 113.990 118.983 -4.993 18797 3395 1 6 . 1 1 53 53 SER C C 53 175.360 175.360 175.367 -0.007 18797 3396 1 6 . 1 1 53 53 SER CA C 53 58.350 58.350 57.575 0.775 18797 3397 1 6 . 1 1 53 53 SER CB C 53 62.930 62.930 65.374 -2.444 18797 3398 1 6 . 1 1 53 53 SER H H 53 8.000 8.000 8.032 -0.032 18797 3399 1 6 . 1 1 54 54 SER N N 54 113.510 113.510 122.279 -8.769 18797 3400 1 6 . 1 1 54 54 SER C C 54 173.880 173.880 176.095 -2.215 18797 3401 1 6 . 1 1 54 54 SER CA C 54 58.500 58.500 60.176 -1.676 18797 3402 1 6 . 1 1 54 54 SER CB C 54 62.960 62.960 63.022 -0.062 18797 3403 1 6 . 1 1 54 54 SER H H 54 8.050 8.050 8.924 -0.874 18797 3404 1 6 . 1 1 55 55 GLY N N 55 112.640 112.640 107.867 4.773 18797 3405 1 6 . 1 1 55 55 GLY CA C 55 44.200 44.200 45.500 -1.300 18797 3406 1 6 . 1 1 55 55 GLY H H 55 8.140 8.140 7.708 0.432 18797 3407 1 6 . 1 1 56 56 ASP CA C 56 54.100 54.100 53.874 0.226 18797 3408 1 6 . 1 1 56 56 ASP CB C 56 41.000 41.000 41.249 -0.249 18797 3409 1 6 . 1 1 56 56 ASP H H 56 175.600 175.600 7.489 168.111 18797 3410 1 6 . 1 1 57 57 TYR N N 57 121.140 121.140 124.413 -3.273 18797 3411 1 6 . 1 1 57 57 TYR CA C 57 57.280 57.280 58.286 -1.006 18797 3412 1 6 . 1 1 57 57 TYR CB C 57 38.400 38.400 41.150 -2.750 18797 3413 1 6 . 1 1 57 57 TYR H H 57 8.150 8.150 7.956 0.194 18797 3414 1 6 . 1 1 59 59 LYS CA C 59 55.410 55.410 55.369 0.041 18797 3415 1 6 . 1 1 59 59 LYS CB C 59 34.220 34.220 33.166 1.054 18797 3416 1 6 . 1 1 60 60 ASN N N 60 122.740 122.740 117.606 5.134 18797 3417 1 6 . 1 1 60 60 ASN C C 60 175.260 175.260 174.171 1.089 18797 3418 1 6 . 1 1 60 60 ASN CA C 60 52.200 52.200 54.075 -1.875 18797 3419 1 6 . 1 1 60 60 ASN CB C 60 40.230 40.230 38.494 1.736 18797 3420 1 6 . 1 1 60 60 ASN H H 60 8.360 8.360 8.493 -0.133 18797 3421 1 6 . 1 1 61 61 GLN N N 61 120.450 120.450 122.696 -2.246 18797 3422 1 6 . 1 1 61 61 GLN C C 61 172.500 172.500 174.169 -1.669 18797 3423 1 6 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.750 -0.010 18797 3424 1 6 . 1 1 61 61 GLN CB C 61 34.840 34.840 32.771 2.069 18797 3425 1 6 . 1 1 61 61 GLN H H 61 8.530 8.530 8.057 0.473 18797 3426 1 6 . 1 1 62 62 TYR N N 62 123.620 123.620 123.819 -0.199 18797 3427 1 6 . 1 1 62 62 TYR C C 62 171.430 171.430 173.258 -1.828 18797 3428 1 6 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.051 0.789 18797 3429 1 6 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.701 -2.771 18797 3430 1 6 . 1 1 62 62 TYR H H 62 8.610 8.610 8.691 -0.081 18797 3431 1 6 . 1 1 63 63 TYR N N 63 123.920 123.920 127.904 -3.984 18797 3432 1 6 . 1 1 63 63 TYR C C 63 174.280 174.280 173.316 0.964 18797 3433 1 6 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.636 -1.056 18797 3434 1 6 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.996 -1.676 18797 3435 1 6 . 1 1 63 63 TYR H H 63 8.400 8.400 8.220 0.180 18797 3436 1 6 . 1 1 64 64 GLY N N 64 107.510 107.510 112.633 -5.123 18797 3437 1 6 . 1 1 64 64 GLY C C 64 174.090 174.090 171.632 2.458 18797 3438 1 6 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.930 0.640 18797 3439 1 6 . 1 1 64 64 GLY H H 64 8.760 8.760 8.097 0.663 18797 3440 1 6 . 1 1 65 65 ILE N N 65 128.470 128.470 124.289 4.181 18797 3441 1 6 . 1 1 65 65 ILE C C 65 174.350 174.350 175.022 -0.672 18797 3442 1 6 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.860 0.100 18797 3443 1 6 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.558 -0.818 18797 3444 1 6 . 1 1 65 65 ILE H H 65 8.900 8.900 8.164 0.736 18797 3445 1 6 . 1 1 66 66 THR N N 66 115.890 115.890 118.021 -2.131 18797 3446 1 6 . 1 1 66 66 THR C C 66 172.600 172.600 172.921 -0.321 18797 3447 1 6 . 1 1 66 66 THR CA C 66 58.670 58.670 59.309 -0.639 18797 3448 1 6 . 1 1 66 66 THR CB C 66 73.100 73.100 71.657 1.443 18797 3449 1 6 . 1 1 66 66 THR H H 66 8.900 8.900 8.327 0.573 18797 3450 1 6 . 1 1 67 67 ALA N N 67 119.730 119.730 123.209 -3.479 18797 3451 1 6 . 1 1 67 67 ALA C C 67 176.670 176.670 175.477 1.193 18797 3452 1 6 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.863 0.637 18797 3453 1 6 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.567 -0.507 18797 3454 1 6 . 1 1 67 67 ALA H H 67 9.370 9.370 8.481 0.889 18797 3455 1 6 . 1 1 68 68 GLY N N 68 104.240 104.240 106.709 -2.469 18797 3456 1 6 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.648 1.272 18797 3457 1 6 . 1 1 68 68 GLY H H 68 8.900 8.900 8.157 0.743 18797 3458 1 6 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.237 -0.197 18797 3459 1 6 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.884 -0.194 18797 3460 1 6 . 1 1 70 70 ALA N N 70 120.220 120.220 127.518 -7.298 18797 3461 1 6 . 1 1 70 70 ALA C C 70 175.590 175.590 175.801 -0.211 18797 3462 1 6 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.162 -1.672 18797 3463 1 6 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.959 0.021 18797 3464 1 6 . 1 1 70 70 ALA H H 70 7.870 7.870 8.718 -0.848 18797 3465 1 6 . 1 1 71 71 TYR N N 71 126.080 126.080 124.170 1.910 18797 3466 1 6 . 1 1 71 71 TYR C C 71 174.090 174.090 174.144 -0.054 18797 3467 1 6 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.257 -1.137 18797 3468 1 6 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.015 -0.095 18797 3469 1 6 . 1 1 71 71 TYR H H 71 9.780 9.780 9.030 0.750 18797 3470 1 6 . 1 1 72 72 ARG N N 72 131.410 131.410 128.428 2.982 18797 3471 1 6 . 1 1 72 72 ARG C C 72 174.160 174.160 175.174 -1.014 18797 3472 1 6 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.495 1.525 18797 3473 1 6 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.700 -1.080 18797 3474 1 6 . 1 1 72 72 ARG H H 72 8.770 8.770 8.188 0.582 18797 3475 1 6 . 1 1 73 73 ILE N N 73 129.550 129.550 122.444 7.106 18797 3476 1 6 . 1 1 73 73 ILE C C 73 175.730 175.730 176.372 -0.642 18797 3477 1 6 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.372 2.578 18797 3478 1 6 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.535 -1.025 18797 3479 1 6 . 1 1 73 73 ILE H H 73 8.400 8.400 8.055 0.345 18797 3480 1 6 . 1 1 74 74 ASN N N 74 114.870 114.870 123.223 -8.353 18797 3481 1 6 . 1 1 74 74 ASN C C 74 174.860 174.860 174.741 0.119 18797 3482 1 6 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.523 -2.693 18797 3483 1 6 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.133 -1.293 18797 3484 1 6 . 1 1 74 74 ASN H H 74 7.920 7.920 8.718 -0.798 18797 3485 1 6 . 1 1 75 75 ASP N N 75 113.980 113.980 119.699 -5.719 18797 3486 1 6 . 1 1 75 75 ASP C C 75 175.820 175.820 176.612 -0.792 18797 3487 1 6 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.410 3.510 18797 3488 1 6 . 1 1 75 75 ASP CB C 75 40.230 40.230 40.934 -0.704 18797 3489 1 6 . 1 1 75 75 ASP H H 75 8.320 8.320 8.168 0.152 18797 3490 1 6 . 1 1 76 76 TRP N N 76 113.600 113.600 120.332 -6.732 18797 3491 1 6 . 1 1 76 76 TRP C C 76 176.310 176.310 174.936 1.374 18797 3492 1 6 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.892 -1.482 18797 3493 1 6 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.067 3.092 18797 3494 1 6 . 1 1 76 76 TRP H H 76 7.970 7.970 8.262 -0.292 18797 3495 1 6 . 1 1 77 77 ALA N N 77 125.520 125.520 121.036 4.484 18797 3496 1 6 . 1 1 77 77 ALA C C 77 175.620 175.620 176.728 -1.108 18797 3497 1 6 . 1 1 77 77 ALA CA C 77 52.070 52.070 50.533 1.537 18797 3498 1 6 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.992 1.147 18797 3499 1 6 . 1 1 77 77 ALA H H 77 7.740 7.740 7.291 0.449 18797 3500 1 6 . 1 1 78 78 SER N N 78 114.140 114.140 115.742 -1.602 18797 3501 1 6 . 1 1 78 78 SER C C 78 170.060 170.060 173.558 -3.498 18797 3502 1 6 . 1 1 78 78 SER CA C 78 57.250 57.250 59.144 -1.893 18797 3503 1 6 . 1 1 78 78 SER CB C 78 65.320 65.320 64.359 0.961 18797 3504 1 6 . 1 1 78 78 SER H H 78 8.100 8.100 7.378 0.722 18797 3505 1 6 . 1 1 79 79 ILE N N 79 120.650 120.650 125.260 -4.610 18797 3506 1 6 . 1 1 79 79 ILE C C 79 172.470 172.470 173.827 -1.357 18797 3507 1 6 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.294 -0.844 18797 3508 1 6 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.856 0.243 18797 3509 1 6 . 1 1 79 79 ILE H H 79 8.960 8.960 8.100 0.860 18797 3510 1 6 . 1 1 80 80 TYR N N 80 120.580 120.580 126.211 -5.631 18797 3511 1 6 . 1 1 80 80 TYR C C 80 173.000 173.000 173.692 -0.692 18797 3512 1 6 . 1 1 80 80 TYR CA C 80 55.980 55.980 54.966 1.014 18797 3513 1 6 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.240 -0.210 18797 3514 1 6 . 1 1 80 80 TYR H H 80 8.360 8.360 8.194 0.166 18797 3515 1 6 . 1 1 81 81 GLY N N 81 106.140 106.140 108.567 -2.427 18797 3516 1 6 . 1 1 81 81 GLY C C 81 170.920 170.920 172.518 -1.598 18797 3517 1 6 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.882 0.118 18797 3518 1 6 . 1 1 81 81 GLY H H 81 8.050 8.050 8.280 -0.230 18797 3519 1 6 . 1 1 82 82 VAL N N 82 111.380 111.380 119.146 -7.766 18797 3520 1 6 . 1 1 82 82 VAL C C 82 174.370 174.370 173.578 0.792 18797 3521 1 6 . 1 1 82 82 VAL CA C 82 58.180 58.180 58.883 -0.703 18797 3522 1 6 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.894 -0.454 18797 3523 1 6 . 1 1 82 82 VAL H H 82 8.490 8.490 8.455 0.035 18797 3524 1 6 . 1 1 83 83 VAL N N 83 113.660 113.660 116.252 -2.592 18797 3525 1 6 . 1 1 83 83 VAL C C 83 174.680 174.680 174.980 -0.300 18797 3526 1 6 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.676 -0.586 18797 3527 1 6 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.777 1.243 18797 3528 1 6 . 1 1 83 83 VAL H H 83 8.970 8.970 8.331 0.639 18797 3529 1 6 . 1 1 84 84 GLY N N 84 108.310 108.310 111.202 -2.892 18797 3530 1 6 . 1 1 84 84 GLY C C 84 171.440 171.440 172.391 -0.951 18797 3531 1 6 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.523 2.247 18797 3532 1 6 . 1 1 84 84 GLY H H 84 8.480 8.480 8.573 -0.093 18797 3533 1 6 . 1 1 85 85 VAL N N 85 122.520 122.520 119.421 3.099 18797 3534 1 6 . 1 1 85 85 VAL C C 85 172.560 172.560 174.906 -2.346 18797 3535 1 6 . 1 1 85 85 VAL CA C 85 59.170 59.170 59.961 -0.791 18797 3536 1 6 . 1 1 85 85 VAL CB C 85 35.810 35.810 33.701 2.109 18797 3537 1 6 . 1 1 85 85 VAL H H 85 8.920 8.920 8.033 0.887 18797 3538 1 6 . 1 1 86 86 GLY N N 86 113.360 113.360 113.948 -0.588 18797 3539 1 6 . 1 1 86 86 GLY C C 86 172.210 172.210 171.827 0.383 18797 3540 1 6 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.495 -0.215 18797 3541 1 6 . 1 1 86 86 GLY H H 86 8.880 8.880 8.443 0.437 18797 3542 1 6 . 1 1 87 87 TYR N N 87 123.830 123.830 121.494 2.336 18797 3543 1 6 . 1 1 87 87 TYR C C 87 174.030 174.030 175.129 -1.099 18797 3544 1 6 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.842 0.088 18797 3545 1 6 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.356 -0.326 18797 3546 1 6 . 1 1 87 87 TYR H H 87 9.310 9.310 8.505 0.805 18797 3547 1 6 . 1 1 88 88 GLY N N 88 112.300 112.300 109.222 3.078 18797 3548 1 6 . 1 1 88 88 GLY C C 88 170.620 170.620 171.978 -1.358 18797 3549 1 6 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.894 0.506 18797 3550 1 6 . 1 1 88 88 GLY H H 88 8.000 8.000 8.829 -0.829 18797 3551 1 6 . 1 1 89 89 LYS N N 89 122.410 122.410 124.892 -2.482 18797 3552 1 6 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.483 -0.003 18797 3553 1 6 . 1 1 89 89 LYS H H 89 8.230 8.230 8.431 -0.201 18797 3554 1 6 . 1 1 90 90 PHE C C 90 175.190 175.190 173.711 1.479 18797 3555 1 6 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.387 -1.357 18797 3556 1 6 . 1 1 90 90 PHE CB C 90 40.510 40.510 42.135 -1.625 18797 3557 1 6 . 1 1 91 91 GLN N N 91 122.380 122.380 124.982 -2.602 18797 3558 1 6 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.701 0.629 18797 3559 1 6 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.582 -1.882 18797 3560 1 6 . 1 1 91 91 GLN H H 91 8.370 8.370 7.845 0.525 18797 3561 1 6 . 1 1 94 94 GLU N N 94 175.780 175.780 120.834 54.946 18797 3562 1 6 . 1 1 94 94 GLU CA C 94 57.030 57.030 57.609 -0.579 18797 3563 1 6 . 1 1 94 94 GLU CB C 94 29.460 29.460 28.803 0.656 18797 3564 1 6 . 1 1 95 95 TYR N N 95 120.240 120.240 123.824 -3.584 18797 3565 1 6 . 1 1 95 95 TYR CA C 95 55.290 55.290 55.824 -0.534 18797 3566 1 6 . 1 1 95 95 TYR CB C 95 37.730 37.730 39.875 -2.145 18797 3567 1 6 . 1 1 95 95 TYR H H 95 7.830 7.830 8.188 -0.358 18797 3568 1 6 . 1 1 97 97 THR CA C 97 62.210 62.210 62.303 -0.093 18797 3569 1 6 . 1 1 97 97 THR H H 97 174.320 174.320 7.829 166.491 18797 3570 1 6 . 1 1 98 98 TYR N N 98 122.540 122.540 126.779 -4.239 18797 3571 1 6 . 1 1 98 98 TYR C C 98 175.000 175.000 175.030 -0.030 18797 3572 1 6 . 1 1 98 98 TYR CA C 98 57.530 57.530 58.417 -0.887 18797 3573 1 6 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.600 -0.250 18797 3574 1 6 . 1 1 98 98 TYR H H 98 8.040 8.040 8.652 -0.612 18797 3575 1 6 . 1 1 101 101 ASP CA C 101 54.020 54.020 54.377 -0.357 18797 3576 1 6 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.556 -1.856 18797 3577 1 6 . 1 1 101 101 ASP H H 101 176.040 176.040 8.500 167.540 18797 3578 1 6 . 1 1 102 102 THR N N 102 117.650 117.650 118.066 -0.416 18797 3579 1 6 . 1 1 102 102 THR C C 102 173.840 173.840 173.023 0.817 18797 3580 1 6 . 1 1 102 102 THR CA C 102 61.590 61.590 60.801 0.789 18797 3581 1 6 . 1 1 102 102 THR CB C 102 69.970 69.970 70.830 -0.860 18797 3582 1 6 . 1 1 102 102 THR H H 102 8.520 8.520 8.420 0.100 18797 3583 1 6 . 1 1 103 103 SER N N 103 119.470 119.470 119.882 -0.412 18797 3584 1 6 . 1 1 103 103 SER C C 103 173.580 173.580 173.083 0.497 18797 3585 1 6 . 1 1 103 103 SER CA C 103 57.310 57.310 57.218 0.092 18797 3586 1 6 . 1 1 103 103 SER H H 103 8.240 8.240 8.581 -0.341 18797 3587 1 6 . 1 1 104 104 ASP N N 104 122.250 122.250 122.763 -0.513 18797 3588 1 6 . 1 1 104 104 ASP C C 104 173.100 173.100 174.732 -1.632 18797 3589 1 6 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.321 0.279 18797 3590 1 6 . 1 1 104 104 ASP CB C 104 44.060 44.060 44.831 -0.771 18797 3591 1 6 . 1 1 104 104 ASP H H 104 8.270 8.270 8.414 -0.144 18797 3592 1 6 . 1 1 105 105 TYR N N 105 116.040 116.040 119.052 -3.012 18797 3593 1 6 . 1 1 105 105 TYR C C 105 175.860 175.860 174.948 0.912 18797 3594 1 6 . 1 1 105 105 TYR CA C 105 55.550 55.550 55.514 0.036 18797 3595 1 6 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.209 0.421 18797 3596 1 6 . 1 1 105 105 TYR H H 105 8.560 8.560 8.360 0.200 18797 3597 1 6 . 1 1 106 106 GLY N N 106 108.500 108.500 108.225 0.275 18797 3598 1 6 . 1 1 106 106 GLY C C 106 172.030 172.030 171.522 0.508 18797 3599 1 6 . 1 1 106 106 GLY CA C 106 44.490 44.490 43.870 0.620 18797 3600 1 6 . 1 1 106 106 GLY H H 106 9.190 9.190 8.291 0.899 18797 3601 1 6 . 1 1 107 107 PHE N N 107 121.420 121.420 118.557 2.863 18797 3602 1 6 . 1 1 107 107 PHE C C 107 175.430 175.430 175.635 -0.205 18797 3603 1 6 . 1 1 107 107 PHE CA C 107 57.540 57.540 57.275 0.265 18797 3604 1 6 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.143 -0.943 18797 3605 1 6 . 1 1 107 107 PHE H H 107 8.860 8.860 8.618 0.242 18797 3606 1 6 . 1 1 108 108 SER N N 108 123.250 123.250 118.708 4.542 18797 3607 1 6 . 1 1 108 108 SER C C 108 171.430 171.430 172.910 -1.480 18797 3608 1 6 . 1 1 108 108 SER CA C 108 56.100 56.100 57.059 -0.959 18797 3609 1 6 . 1 1 108 108 SER CB C 108 65.720 65.720 65.892 -0.173 18797 3610 1 6 . 1 1 108 108 SER H H 108 8.110 8.110 8.815 -0.705 18797 3611 1 6 . 1 1 109 109 TYR N N 109 117.840 117.840 125.297 -7.457 18797 3612 1 6 . 1 1 109 109 TYR C C 109 173.560 173.560 173.756 -0.196 18797 3613 1 6 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.274 -0.954 18797 3614 1 6 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.931 -3.371 18797 3615 1 6 . 1 1 109 109 TYR H H 109 8.480 8.480 8.581 -0.101 18797 3616 1 6 . 1 1 110 110 GLY N N 110 106.400 106.400 111.165 -4.765 18797 3617 1 6 . 1 1 110 110 GLY C C 110 171.350 171.350 171.229 0.121 18797 3618 1 6 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.019 2.142 18797 3619 1 6 . 1 1 110 110 GLY H H 110 8.980 8.980 7.991 0.989 18797 3620 1 6 . 1 1 111 111 ALA N N 111 119.140 119.140 121.893 -2.753 18797 3621 1 6 . 1 1 111 111 ALA C C 111 174.640 174.640 174.909 -0.269 18797 3622 1 6 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.380 0.590 18797 3623 1 6 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.913 -0.763 18797 3624 1 6 . 1 1 111 111 ALA H H 111 8.390 8.390 8.193 0.197 18797 3625 1 6 . 1 1 112 112 GLY N N 112 106.070 106.070 106.504 -0.434 18797 3626 1 6 . 1 1 112 112 GLY C C 112 169.770 169.770 171.476 -1.706 18797 3627 1 6 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.390 0.880 18797 3628 1 6 . 1 1 112 112 GLY H H 112 7.820 7.820 7.418 0.402 18797 3629 1 6 . 1 1 113 113 LEU N N 113 116.370 116.370 120.552 -4.182 18797 3630 1 6 . 1 1 113 113 LEU C C 113 175.090 175.090 176.173 -1.083 18797 3631 1 6 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.742 -1.052 18797 3632 1 6 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.719 0.841 18797 3633 1 6 . 1 1 113 113 LEU H H 113 8.930 8.930 8.343 0.587 18797 3634 1 6 . 1 1 114 114 GLN N N 114 115.860 115.860 118.675 -2.815 18797 3635 1 6 . 1 1 114 114 GLN C C 114 176.910 176.910 175.039 1.871 18797 3636 1 6 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.724 -0.994 18797 3637 1 6 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.379 0.911 18797 3638 1 6 . 1 1 114 114 GLN H H 114 7.860 7.860 8.458 -0.598 18797 3639 1 6 . 1 1 115 115 PHE N N 115 126.580 126.580 122.586 3.994 18797 3640 1 6 . 1 1 115 115 PHE C C 115 175.740 175.740 173.231 2.509 18797 3641 1 6 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.646 -1.446 18797 3642 1 6 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.955 1.415 18797 3643 1 6 . 1 1 115 115 PHE H H 115 9.750 9.750 9.052 0.698 18797 3644 1 6 . 1 1 116 116 ASN N N 116 119.920 119.920 119.892 0.028 18797 3645 1 6 . 1 1 116 116 ASN CA C 116 51.200 51.200 49.638 1.562 18797 3646 1 6 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.190 0.460 18797 3647 1 6 . 1 1 116 116 ASN H H 116 9.450 9.450 8.168 1.282 18797 3648 1 6 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.530 2.170 18797 3649 1 6 . 1 1 118 118 MET N N 118 110.530 110.530 118.880 -8.350 18797 3650 1 6 . 1 1 118 118 MET C C 118 176.130 176.130 176.811 -0.681 18797 3651 1 6 . 1 1 118 118 MET CA C 118 53.980 53.980 56.671 -2.691 18797 3652 1 6 . 1 1 118 118 MET CB C 118 36.310 36.310 32.740 3.570 18797 3653 1 6 . 1 1 118 118 MET H H 118 7.310 7.310 8.180 -0.870 18797 3654 1 6 . 1 1 119 119 GLU N N 119 120.320 120.320 119.280 1.040 18797 3655 1 6 . 1 1 119 119 GLU C C 119 176.810 176.810 176.831 -0.021 18797 3656 1 6 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.748 1.852 18797 3657 1 6 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.841 -0.691 18797 3658 1 6 . 1 1 119 119 GLU H H 119 9.120 9.120 8.774 0.346 18797 3659 1 6 . 1 1 120 120 ASN N N 120 112.490 112.490 118.184 -5.694 18797 3660 1 6 . 1 1 120 120 ASN C C 120 174.080 174.080 175.963 -1.883 18797 3661 1 6 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.169 -1.768 18797 3662 1 6 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.290 0.540 18797 3663 1 6 . 1 1 120 120 ASN H H 120 8.430 8.430 8.718 -0.288 18797 3664 1 6 . 1 1 121 121 VAL N N 121 117.760 117.760 118.437 -0.677 18797 3665 1 6 . 1 1 121 121 VAL C C 121 174.750 174.750 174.573 0.177 18797 3666 1 6 . 1 1 121 121 VAL CA C 121 60.690 60.690 61.641 -0.951 18797 3667 1 6 . 1 1 121 121 VAL CB C 121 34.900 34.900 31.505 3.396 18797 3668 1 6 . 1 1 121 121 VAL H H 121 7.500 7.500 7.511 -0.011 18797 3669 1 6 . 1 1 122 122 ALA N N 122 127.190 127.190 122.386 4.804 18797 3670 1 6 . 1 1 122 122 ALA C C 122 175.140 175.140 175.458 -0.318 18797 3671 1 6 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.638 -1.248 18797 3672 1 6 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.530 1.290 18797 3673 1 6 . 1 1 122 122 ALA H H 122 8.230 8.230 7.292 0.938 18797 3674 1 6 . 1 1 123 123 LEU N N 123 120.270 120.270 122.916 -2.646 18797 3675 1 6 . 1 1 123 123 LEU C C 123 174.310 174.310 175.442 -1.132 18797 3676 1 6 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.996 -0.336 18797 3677 1 6 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.130 -1.620 18797 3678 1 6 . 1 1 123 123 LEU H H 123 8.910 8.910 8.523 0.387 18797 3679 1 6 . 1 1 124 124 ASP N N 124 127.350 127.350 118.669 8.681 18797 3680 1 6 . 1 1 124 124 ASP C C 124 171.830 171.830 174.467 -2.637 18797 3681 1 6 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.024 1.796 18797 3682 1 6 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.290 3.200 18797 3683 1 6 . 1 1 124 124 ASP H H 124 8.580 8.580 8.339 0.241 18797 3684 1 6 . 1 1 125 125 PHE N N 125 123.390 123.390 118.550 4.840 18797 3685 1 6 . 1 1 125 125 PHE C C 125 174.130 174.130 174.774 -0.644 18797 3686 1 6 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.529 -0.869 18797 3687 1 6 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.029 -0.329 18797 3688 1 6 . 1 1 125 125 PHE H H 125 8.670 8.670 8.361 0.309 18797 3689 1 6 . 1 1 126 126 SER N N 126 118.680 118.680 115.778 2.902 18797 3690 1 6 . 1 1 126 126 SER C C 126 169.980 169.980 172.451 -2.471 18797 3691 1 6 . 1 1 126 126 SER CA C 126 58.120 58.120 56.598 1.522 18797 3692 1 6 . 1 1 126 126 SER CB C 126 66.950 66.950 66.104 0.846 18797 3693 1 6 . 1 1 126 126 SER H H 126 9.390 9.390 8.404 0.986 18797 3694 1 6 . 1 1 127 127 TYR N N 127 119.080 119.080 121.591 -2.511 18797 3695 1 6 . 1 1 127 127 TYR C C 127 174.390 174.390 174.685 -0.295 18797 3696 1 6 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.336 -0.896 18797 3697 1 6 . 1 1 127 127 TYR CB C 127 43.100 43.100 42.440 0.660 18797 3698 1 6 . 1 1 127 127 TYR H H 127 8.610 8.610 8.665 -0.055 18797 3699 1 6 . 1 1 128 128 GLU N N 128 130.070 130.070 121.554 8.516 18797 3700 1 6 . 1 1 128 128 GLU C C 128 172.590 172.590 175.100 -2.510 18797 3701 1 6 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.201 -0.071 18797 3702 1 6 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.837 -0.337 18797 3703 1 6 . 1 1 128 128 GLU H H 128 8.510 8.510 8.824 -0.314 18797 3704 1 6 . 1 1 129 129 GLN N N 129 128.670 128.670 124.935 3.735 18797 3705 1 6 . 1 1 129 129 GLN C C 129 173.690 173.690 174.862 -1.172 18797 3706 1 6 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.855 -0.645 18797 3707 1 6 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.969 -1.919 18797 3708 1 6 . 1 1 129 129 GLN H H 129 9.330 9.330 8.756 0.574 18797 3709 1 6 . 1 1 130 130 SER N N 130 118.630 118.630 117.742 0.888 18797 3710 1 6 . 1 1 130 130 SER C C 130 174.210 174.210 173.832 0.378 18797 3711 1 6 . 1 1 130 130 SER CA C 130 56.450 56.450 56.478 -0.028 18797 3712 1 6 . 1 1 130 130 SER CB C 130 66.260 66.260 65.266 0.994 18797 3713 1 6 . 1 1 130 130 SER H H 130 8.580 8.580 8.083 0.497 18797 3714 1 6 . 1 1 131 131 ARG N N 131 126.850 126.850 125.426 1.424 18797 3715 1 6 . 1 1 131 131 ARG C C 131 174.740 174.740 176.027 -1.287 18797 3716 1 6 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.664 -0.324 18797 3717 1 6 . 1 1 131 131 ARG CB C 131 30.910 30.910 30.835 0.075 18797 3718 1 6 . 1 1 131 131 ARG H H 131 7.690 7.690 8.584 -0.894 18797 3719 1 6 . 1 1 132 132 ILE N N 132 129.470 129.470 124.542 4.928 18797 3720 1 6 . 1 1 132 132 ILE C C 132 175.500 175.500 176.195 -0.695 18797 3721 1 6 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.224 -2.334 18797 3722 1 6 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.482 0.838 18797 3723 1 6 . 1 1 132 132 ILE H H 132 8.730 8.730 8.702 0.028 18797 3724 1 6 . 1 1 133 133 ARG N N 133 127.220 127.220 129.335 -2.115 18797 3725 1 6 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.403 2.707 18797 3726 1 6 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.068 -3.748 18797 3727 1 6 . 1 1 133 133 ARG H H 133 9.400 9.400 8.305 1.095 18797 3728 1 6 . 1 1 134 134 SER C C 134 173.290 173.290 173.573 -0.283 18797 3729 1 6 . 1 1 134 134 SER CA C 134 58.490 58.490 59.829 -1.339 18797 3730 1 6 . 1 1 134 134 SER CB C 134 62.860 62.860 63.186 -0.326 18797 3731 1 6 . 1 1 135 135 VAL N N 135 124.810 124.810 120.772 4.038 18797 3732 1 6 . 1 1 135 135 VAL C C 135 174.650 174.650 173.717 0.933 18797 3733 1 6 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.623 0.247 18797 3734 1 6 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.884 -2.824 18797 3735 1 6 . 1 1 135 135 VAL H H 135 8.270 8.270 7.235 1.035 18797 3736 1 6 . 1 1 136 136 ASP N N 136 127.750 127.750 127.495 0.255 18797 3737 1 6 . 1 1 136 136 ASP C C 136 175.130 175.130 175.264 -0.134 18797 3738 1 6 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.493 1.727 18797 3739 1 6 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.365 -1.615 18797 3740 1 6 . 1 1 136 136 ASP H H 136 8.010 8.010 8.527 -0.517 18797 3741 1 6 . 1 1 137 137 VAL N N 137 124.520 124.520 124.314 0.206 18797 3742 1 6 . 1 1 137 137 VAL C C 137 174.690 174.690 175.309 -0.619 18797 3743 1 6 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.388 0.062 18797 3744 1 6 . 1 1 137 137 VAL CB C 137 32.800 32.800 32.779 0.021 18797 3745 1 6 . 1 1 137 137 VAL H H 137 8.720 8.720 7.751 0.969 18797 3746 1 6 . 1 1 138 138 GLY N N 138 116.920 116.920 114.893 2.027 18797 3747 1 6 . 1 1 138 138 GLY C C 138 172.930 172.930 173.003 -0.073 18797 3748 1 6 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.451 0.029 18797 3749 1 6 . 1 1 138 138 GLY H H 138 8.240 8.240 8.611 -0.371 18797 3750 1 6 . 1 1 139 139 THR N N 139 125.070 125.070 122.962 2.108 18797 3751 1 6 . 1 1 139 139 THR C C 139 171.920 171.920 172.979 -1.059 18797 3752 1 6 . 1 1 139 139 THR CA C 139 60.890 60.890 61.386 -0.496 18797 3753 1 6 . 1 1 139 139 THR CB C 139 70.290 70.290 71.886 -1.596 18797 3754 1 6 . 1 1 139 139 THR H H 139 8.710 8.710 8.370 0.340 18797 3755 1 6 . 1 1 140 140 TRP N N 140 125.840 125.840 130.651 -4.811 18797 3756 1 6 . 1 1 140 140 TRP C C 140 175.070 175.070 173.624 1.446 18797 3757 1 6 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.844 -0.714 18797 3758 1 6 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.242 -0.142 18797 3759 1 6 . 1 1 140 140 TRP H H 140 8.330 8.330 8.525 -0.195 18797 3760 1 6 . 1 1 141 141 ILE N N 141 123.240 123.240 127.499 -4.259 18797 3761 1 6 . 1 1 141 141 ILE C C 141 174.870 174.870 172.499 2.371 18797 3762 1 6 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.404 1.986 18797 3763 1 6 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.258 -1.628 18797 3764 1 6 . 1 1 141 141 ILE H H 141 8.980 8.980 8.105 0.875 18797 3765 1 6 . 1 1 142 142 ALA N N 142 127.680 127.680 128.366 -0.686 18797 3766 1 6 . 1 1 142 142 ALA C C 142 175.700 175.700 175.325 0.375 18797 3767 1 6 . 1 1 142 142 ALA CA C 142 50.530 50.530 49.662 0.868 18797 3768 1 6 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.257 -0.047 18797 3769 1 6 . 1 1 142 142 ALA H H 142 8.350 8.350 8.107 0.243 18797 3770 1 6 . 1 1 143 143 GLY N N 143 109.030 109.030 108.946 0.084 18797 3771 1 6 . 1 1 143 143 GLY C C 143 172.090 172.090 171.765 0.325 18797 3772 1 6 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.221 1.209 18797 3773 1 6 . 1 1 143 143 GLY H H 143 9.520 9.520 8.077 1.443 18797 3774 1 6 . 1 1 144 144 VAL N N 144 114.110 114.110 116.581 -2.471 18797 3775 1 6 . 1 1 144 144 VAL C C 144 174.010 174.010 174.451 -0.441 18797 3776 1 6 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.006 0.264 18797 3777 1 6 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.399 1.091 18797 3778 1 6 . 1 1 144 144 VAL H H 144 8.750 8.750 8.401 0.349 18797 3779 1 6 . 1 1 145 145 GLY N N 145 107.360 107.360 110.768 -3.408 18797 3780 1 6 . 1 1 145 145 GLY C C 145 171.210 171.210 171.719 -0.509 18797 3781 1 6 . 1 1 145 145 GLY CA C 145 46.770 46.770 45.032 1.738 18797 3782 1 6 . 1 1 145 145 GLY H H 145 8.590 8.590 8.533 0.057 18797 3783 1 6 . 1 1 146 146 TYR N N 146 121.960 121.960 115.551 6.409 18797 3784 1 6 . 1 1 146 146 TYR C C 146 172.440 172.440 173.726 -1.286 18797 3785 1 6 . 1 1 146 146 TYR CA C 146 55.250 55.250 54.945 0.305 18797 3786 1 6 . 1 1 146 146 TYR CB C 146 44.270 44.270 40.953 3.317 18797 3787 1 6 . 1 1 146 146 TYR H H 146 8.370 8.370 7.916 0.454 18797 3788 1 6 . 1 1 147 147 ARG N N 147 129.590 129.590 118.666 10.924 18797 3789 1 6 . 1 1 147 147 ARG C C 147 173.850 173.850 175.958 -2.108 18797 3790 1 6 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.203 -0.843 18797 3791 1 6 . 1 1 147 147 ARG CB C 147 32.420 32.420 32.133 0.287 18797 3792 1 6 . 1 1 147 147 ARG H H 147 7.690 7.690 8.490 -0.800 18797 3793 1 7 . 1 1 2 2 THR N N 2 114.280 114.280 114.274 0.006 18797 3794 1 7 . 1 1 2 2 THR C C 2 173.570 173.570 173.048 0.522 18797 3795 1 7 . 1 1 2 2 THR CA C 2 61.040 61.040 61.080 -0.040 18797 3796 1 7 . 1 1 2 2 THR CB C 2 71.930 71.930 71.256 0.674 18797 3797 1 7 . 1 1 2 2 THR H H 2 8.490 8.490 7.631 0.859 18797 3798 1 7 . 1 1 3 3 SER N N 3 122.430 122.430 115.212 7.218 18797 3799 1 7 . 1 1 3 3 SER C C 3 172.590 172.590 173.241 -0.651 18797 3800 1 7 . 1 1 3 3 SER CA C 3 56.760 56.760 57.692 -0.932 18797 3801 1 7 . 1 1 3 3 SER CB C 3 65.480 65.480 66.238 -0.758 18797 3802 1 7 . 1 1 3 3 SER H H 3 9.000 9.000 8.542 0.458 18797 3803 1 7 . 1 1 4 4 THR N N 4 117.240 117.240 112.654 4.586 18797 3804 1 7 . 1 1 4 4 THR C C 4 174.640 174.640 172.889 1.751 18797 3805 1 7 . 1 1 4 4 THR CA C 4 61.390 61.390 60.083 1.308 18797 3806 1 7 . 1 1 4 4 THR CB C 4 70.680 70.680 72.079 -1.399 18797 3807 1 7 . 1 1 4 4 THR H H 4 8.610 8.610 8.483 0.127 18797 3808 1 7 . 1 1 5 5 VAL N N 5 129.440 129.440 122.329 7.111 18797 3809 1 7 . 1 1 5 5 VAL C C 5 174.770 174.770 173.883 0.887 18797 3810 1 7 . 1 1 5 5 VAL CA C 5 59.760 59.760 59.382 0.378 18797 3811 1 7 . 1 1 5 5 VAL CB C 5 33.490 33.490 34.617 -1.127 18797 3812 1 7 . 1 1 5 5 VAL H H 5 8.750 8.750 7.810 0.940 18797 3813 1 7 . 1 1 6 6 THR N N 6 116.430 116.430 124.465 -8.035 18797 3814 1 7 . 1 1 6 6 THR C C 6 172.930 172.930 172.938 -0.008 18797 3815 1 7 . 1 1 6 6 THR CA C 6 58.590 58.590 60.923 -2.333 18797 3816 1 7 . 1 1 6 6 THR CB C 6 70.930 70.930 71.659 -0.729 18797 3817 1 7 . 1 1 6 6 THR H H 6 8.890 8.890 8.310 0.580 18797 3818 1 7 . 1 1 7 7 GLY N N 7 105.590 105.590 110.791 -5.201 18797 3819 1 7 . 1 1 7 7 GLY C C 7 172.430 172.430 172.236 0.194 18797 3820 1 7 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.917 0.403 18797 3821 1 7 . 1 1 7 7 GLY H H 7 8.760 8.760 8.535 0.225 18797 3822 1 7 . 1 1 8 8 GLY N N 8 106.530 106.530 110.082 -3.552 18797 3823 1 7 . 1 1 8 8 GLY C C 8 173.030 173.030 172.098 0.932 18797 3824 1 7 . 1 1 8 8 GLY CA C 8 45.930 45.930 45.392 0.538 18797 3825 1 7 . 1 1 8 8 GLY H H 8 9.100 9.100 8.207 0.892 18797 3826 1 7 . 1 1 9 9 TYR N N 9 121.730 121.730 116.923 4.807 18797 3827 1 7 . 1 1 9 9 TYR C C 9 172.390 172.390 173.099 -0.709 18797 3828 1 7 . 1 1 9 9 TYR CA C 9 56.840 56.840 54.840 2.000 18797 3829 1 7 . 1 1 9 9 TYR CB C 9 41.080 41.080 41.592 -0.512 18797 3830 1 7 . 1 1 9 9 TYR H H 9 8.410 8.410 7.954 0.456 18797 3831 1 7 . 1 1 10 10 ALA N N 10 128.460 128.460 121.035 7.425 18797 3832 1 7 . 1 1 10 10 ALA C C 10 174.020 174.020 175.062 -1.042 18797 3833 1 7 . 1 1 10 10 ALA CA C 10 48.210 48.210 50.186 -1.976 18797 3834 1 7 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.619 -0.399 18797 3835 1 7 . 1 1 10 10 ALA H H 10 6.910 6.910 8.765 -1.855 18797 3836 1 7 . 1 1 11 11 GLN N N 11 118.830 118.830 121.532 -2.702 18797 3837 1 7 . 1 1 11 11 GLN C C 11 175.650 175.650 173.899 1.751 18797 3838 1 7 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.966 -0.136 18797 3839 1 7 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.759 -0.699 18797 3840 1 7 . 1 1 11 11 GLN H H 11 8.100 8.100 7.901 0.199 18797 3841 1 7 . 1 1 12 12 SER N N 12 124.200 124.200 120.699 3.501 18797 3842 1 7 . 1 1 12 12 SER C C 12 172.710 172.710 173.070 -0.360 18797 3843 1 7 . 1 1 12 12 SER CA C 12 57.190 57.190 56.340 0.850 18797 3844 1 7 . 1 1 12 12 SER CB C 12 64.180 64.180 65.708 -1.528 18797 3845 1 7 . 1 1 12 12 SER H H 12 9.160 9.160 8.311 0.849 18797 3846 1 7 . 1 1 13 13 ASP N N 13 124.950 124.950 128.210 -3.260 18797 3847 1 7 . 1 1 13 13 ASP C C 13 174.860 174.860 174.935 -0.075 18797 3848 1 7 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.513 -0.553 18797 3849 1 7 . 1 1 13 13 ASP CB C 13 42.920 42.920 43.387 -0.467 18797 3850 1 7 . 1 1 13 13 ASP H H 13 9.070 9.070 8.256 0.814 18797 3851 1 7 . 1 1 14 14 ALA N N 14 128.730 128.730 127.902 0.828 18797 3852 1 7 . 1 1 14 14 ALA C C 14 176.230 176.230 176.495 -0.265 18797 3853 1 7 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.087 -1.277 18797 3854 1 7 . 1 1 14 14 ALA CB C 14 19.500 19.500 21.015 -1.514 18797 3855 1 7 . 1 1 14 14 ALA H H 14 8.560 8.560 8.362 0.198 18797 3856 1 7 . 1 1 15 15 GLN N N 15 122.750 122.750 122.373 0.377 18797 3857 1 7 . 1 1 15 15 GLN C C 15 176.660 176.660 176.703 -0.043 18797 3858 1 7 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.482 2.638 18797 3859 1 7 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.530 -2.370 18797 3860 1 7 . 1 1 15 15 GLN H H 15 8.340 8.340 8.540 -0.200 18797 3861 1 7 . 1 1 16 16 GLY N N 16 112.800 112.800 110.666 2.134 18797 3862 1 7 . 1 1 16 16 GLY C C 16 174.400 174.400 174.097 0.303 18797 3863 1 7 . 1 1 16 16 GLY CA C 16 45.180 45.180 46.202 -1.022 18797 3864 1 7 . 1 1 16 16 GLY H H 16 8.650 8.650 8.678 -0.028 18797 3865 1 7 . 1 1 17 17 GLN N N 17 119.300 119.300 123.113 -3.813 18797 3866 1 7 . 1 1 17 17 GLN C C 17 175.720 175.720 174.990 0.730 18797 3867 1 7 . 1 1 17 17 GLN CA C 17 54.600 54.600 55.851 -1.251 18797 3868 1 7 . 1 1 17 17 GLN CB C 17 32.800 32.800 29.342 3.458 18797 3869 1 7 . 1 1 17 17 GLN H H 17 8.080 8.080 8.674 -0.594 18797 3870 1 7 . 1 1 18 18 MET N N 18 120.170 120.170 118.859 1.311 18797 3871 1 7 . 1 1 18 18 MET C C 18 175.400 175.400 174.308 1.092 18797 3872 1 7 . 1 1 18 18 MET CA C 18 55.980 55.980 54.731 1.249 18797 3873 1 7 . 1 1 18 18 MET CB C 18 35.590 35.590 35.643 -0.053 18797 3874 1 7 . 1 1 18 18 MET H H 18 8.370 8.370 7.642 0.728 18797 3875 1 7 . 1 1 19 19 ASN N N 19 117.900 117.900 118.793 -0.893 18797 3876 1 7 . 1 1 19 19 ASN C C 19 174.400 174.400 175.515 -1.115 18797 3877 1 7 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.556 -0.256 18797 3878 1 7 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.987 -0.587 18797 3879 1 7 . 1 1 19 19 ASN H H 19 7.990 7.990 8.592 -0.602 18797 3880 1 7 . 1 1 20 20 LYS N N 20 120.800 120.800 119.483 1.317 18797 3881 1 7 . 1 1 20 20 LYS C C 20 176.410 176.410 175.983 0.427 18797 3882 1 7 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.697 -1.997 18797 3883 1 7 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.510 -1.610 18797 3884 1 7 . 1 1 20 20 LYS H H 20 8.340 8.340 8.544 -0.204 18797 3885 1 7 . 1 1 21 21 MET N N 21 120.500 120.500 116.481 4.019 18797 3886 1 7 . 1 1 21 21 MET C C 21 175.270 175.270 175.268 0.002 18797 3887 1 7 . 1 1 21 21 MET CA C 21 54.800 54.800 54.441 0.359 18797 3888 1 7 . 1 1 21 21 MET CB C 21 34.730 34.730 38.099 -3.369 18797 3889 1 7 . 1 1 21 21 MET H H 21 8.580 8.580 7.914 0.666 18797 3890 1 7 . 1 1 22 22 GLY N N 22 111.280 111.280 107.394 3.886 18797 3891 1 7 . 1 1 22 22 GLY C C 22 174.030 174.030 172.568 1.462 18797 3892 1 7 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.441 0.370 18797 3893 1 7 . 1 1 22 22 GLY H H 22 8.430 8.430 8.100 0.330 18797 3894 1 7 . 1 1 23 23 GLY N N 23 120.170 120.170 108.038 12.132 18797 3895 1 7 . 1 1 23 23 GLY C C 23 171.850 171.850 171.904 -0.054 18797 3896 1 7 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.327 1.823 18797 3897 1 7 . 1 1 23 23 GLY H H 23 8.180 8.180 7.949 0.231 18797 3898 1 7 . 1 1 24 24 PHE N N 24 121.370 121.370 120.207 1.163 18797 3899 1 7 . 1 1 24 24 PHE C C 24 171.570 171.570 174.421 -2.851 18797 3900 1 7 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.598 -1.868 18797 3901 1 7 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.731 0.779 18797 3902 1 7 . 1 1 24 24 PHE H H 24 9.230 9.230 8.736 0.494 18797 3903 1 7 . 1 1 25 25 ASN N N 25 118.950 118.950 120.721 -1.771 18797 3904 1 7 . 1 1 25 25 ASN C C 25 172.080 172.080 173.963 -1.883 18797 3905 1 7 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.954 -1.084 18797 3906 1 7 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.016 4.434 18797 3907 1 7 . 1 1 25 25 ASN H H 25 8.520 8.520 8.577 -0.057 18797 3908 1 7 . 1 1 26 26 LEU N N 26 126.150 126.150 125.253 0.897 18797 3909 1 7 . 1 1 26 26 LEU C C 26 175.620 175.620 175.832 -0.212 18797 3910 1 7 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.894 -0.404 18797 3911 1 7 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.145 1.485 18797 3912 1 7 . 1 1 26 26 LEU H H 26 9.340 9.340 8.599 0.741 18797 3913 1 7 . 1 1 27 27 LYS N N 27 117.980 117.980 120.401 -2.421 18797 3914 1 7 . 1 1 27 27 LYS C C 27 175.120 175.120 175.670 -0.550 18797 3915 1 7 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.675 0.515 18797 3916 1 7 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.892 -0.322 18797 3917 1 7 . 1 1 27 27 LYS H H 27 8.850 8.850 8.622 0.228 18797 3918 1 7 . 1 1 28 28 TYR N N 28 120.820 120.820 119.464 1.356 18797 3919 1 7 . 1 1 28 28 TYR C C 28 172.480 172.480 173.507 -1.027 18797 3920 1 7 . 1 1 28 28 TYR CA C 28 56.280 56.280 55.183 1.097 18797 3921 1 7 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.556 -0.656 18797 3922 1 7 . 1 1 28 28 TYR H H 28 8.430 8.430 8.532 -0.102 18797 3923 1 7 . 1 1 29 29 ARG N N 29 129.660 129.660 122.510 7.150 18797 3924 1 7 . 1 1 29 29 ARG C C 29 172.780 172.780 174.180 -1.400 18797 3925 1 7 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.088 -1.088 18797 3926 1 7 . 1 1 29 29 ARG CB C 29 34.010 34.010 35.126 -1.116 18797 3927 1 7 . 1 1 29 29 ARG H H 29 8.670 8.670 8.342 0.328 18797 3928 1 7 . 1 1 30 30 TYR N N 30 127.210 127.210 125.494 1.716 18797 3929 1 7 . 1 1 30 30 TYR C C 30 175.000 175.000 173.932 1.068 18797 3930 1 7 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.831 -0.001 18797 3931 1 7 . 1 1 30 30 TYR CB C 30 42.140 42.140 42.174 -0.034 18797 3932 1 7 . 1 1 30 30 TYR H H 30 8.930 8.930 8.233 0.697 18797 3933 1 7 . 1 1 31 31 GLU N N 31 128.090 128.090 125.789 2.301 18797 3934 1 7 . 1 1 31 31 GLU C C 31 174.250 174.250 175.476 -1.226 18797 3935 1 7 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.677 -1.047 18797 3936 1 7 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.690 1.800 18797 3937 1 7 . 1 1 31 31 GLU H H 31 8.170 8.170 7.525 0.645 18797 3938 1 7 . 1 1 32 32 GLU N N 32 122.610 122.610 125.146 -2.536 18797 3939 1 7 . 1 1 32 32 GLU C C 32 176.920 176.920 175.509 1.411 18797 3940 1 7 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.843 -0.273 18797 3941 1 7 . 1 1 32 32 GLU CB C 32 30.770 30.770 33.566 -2.796 18797 3942 1 7 . 1 1 32 32 GLU H H 32 9.120 9.120 8.553 0.567 18797 3943 1 7 . 1 1 33 33 ASP N N 33 121.920 121.920 120.597 1.323 18797 3944 1 7 . 1 1 33 33 ASP C C 33 176.990 176.990 176.841 0.149 18797 3945 1 7 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.370 2.500 18797 3946 1 7 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.532 -1.262 18797 3947 1 7 . 1 1 33 33 ASP H H 33 8.600 8.600 8.389 0.211 18797 3948 1 7 . 1 1 34 34 ASN N N 34 115.300 115.300 116.042 -0.742 18797 3949 1 7 . 1 1 34 34 ASN C C 34 174.280 174.280 175.858 -1.578 18797 3950 1 7 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.309 -1.949 18797 3951 1 7 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.041 -0.091 18797 3952 1 7 . 1 1 34 34 ASN H H 34 8.420 8.420 8.683 -0.263 18797 3953 1 7 . 1 1 35 35 SER N N 35 112.970 112.970 115.878 -2.908 18797 3954 1 7 . 1 1 35 35 SER CA C 35 54.260 54.260 58.826 -4.566 18797 3955 1 7 . 1 1 35 35 SER CB C 35 64.920 64.920 63.505 1.415 18797 3956 1 7 . 1 1 35 35 SER H H 35 7.270 7.270 8.446 -1.176 18797 3957 1 7 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.253 1.107 18797 3958 1 7 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.784 -1.314 18797 3959 1 7 . 1 1 37 37 LEU N N 37 123.000 123.000 121.725 1.275 18797 3960 1 7 . 1 1 37 37 LEU C C 37 176.300 176.300 177.390 -1.090 18797 3961 1 7 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.336 -0.496 18797 3962 1 7 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.583 1.107 18797 3963 1 7 . 1 1 37 37 LEU H H 37 7.910 7.910 8.304 -0.394 18797 3964 1 7 . 1 1 38 38 GLY N N 38 117.320 117.320 107.669 9.651 18797 3965 1 7 . 1 1 38 38 GLY C C 38 172.340 172.340 172.941 -0.601 18797 3966 1 7 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.158 0.272 18797 3967 1 7 . 1 1 38 38 GLY H H 38 9.110 9.110 7.948 1.162 18797 3968 1 7 . 1 1 39 39 VAL N N 39 116.550 116.550 125.679 -9.129 18797 3969 1 7 . 1 1 39 39 VAL C C 39 171.720 171.720 175.140 -3.420 18797 3970 1 7 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.800 -2.800 18797 3971 1 7 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.947 2.663 18797 3972 1 7 . 1 1 39 39 VAL H H 39 7.980 7.980 8.016 -0.036 18797 3973 1 7 . 1 1 40 40 ILE N N 40 125.640 125.640 127.079 -1.439 18797 3974 1 7 . 1 1 40 40 ILE C C 40 171.600 171.600 174.734 -3.134 18797 3975 1 7 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.031 -0.491 18797 3976 1 7 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.183 2.947 18797 3977 1 7 . 1 1 40 40 ILE H H 40 9.160 9.160 8.315 0.845 18797 3978 1 7 . 1 1 41 41 GLY N N 41 111.830 111.830 111.819 0.011 18797 3979 1 7 . 1 1 41 41 GLY C C 41 172.000 172.000 172.053 -0.053 18797 3980 1 7 . 1 1 41 41 GLY CA C 41 43.150 43.150 43.664 -0.514 18797 3981 1 7 . 1 1 41 41 GLY H H 41 8.930 8.930 7.840 1.090 18797 3982 1 7 . 1 1 42 42 SER N N 42 116.940 116.940 119.147 -2.207 18797 3983 1 7 . 1 1 42 42 SER C C 42 172.100 172.100 173.037 -0.937 18797 3984 1 7 . 1 1 42 42 SER CA C 42 56.220 56.220 56.926 -0.706 18797 3985 1 7 . 1 1 42 42 SER CB C 42 62.920 62.920 66.979 -4.059 18797 3986 1 7 . 1 1 42 42 SER H H 42 9.190 9.190 8.165 1.025 18797 3987 1 7 . 1 1 43 43 PHE N N 43 129.230 129.230 123.035 6.195 18797 3988 1 7 . 1 1 43 43 PHE C C 43 172.920 172.920 175.657 -2.737 18797 3989 1 7 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.540 -0.580 18797 3990 1 7 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.224 0.206 18797 3991 1 7 . 1 1 43 43 PHE H H 43 9.300 9.300 9.071 0.229 18797 3992 1 7 . 1 1 44 44 THR N N 44 126.530 126.530 119.620 6.910 18797 3993 1 7 . 1 1 44 44 THR C C 44 171.340 171.340 173.328 -1.988 18797 3994 1 7 . 1 1 44 44 THR CA C 44 60.410 60.410 61.033 -0.623 18797 3995 1 7 . 1 1 44 44 THR CB C 44 70.220 70.220 70.974 -0.754 18797 3996 1 7 . 1 1 44 44 THR H H 44 8.820 8.820 8.562 0.258 18797 3997 1 7 . 1 1 45 45 TYR N N 45 125.840 125.840 126.377 -0.537 18797 3998 1 7 . 1 1 45 45 TYR C C 45 174.000 174.000 175.361 -1.361 18797 3999 1 7 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.331 -0.661 18797 4000 1 7 . 1 1 45 45 TYR CB C 45 41.000 41.000 41.600 -0.600 18797 4001 1 7 . 1 1 45 45 TYR H H 45 8.210 8.210 8.802 -0.592 18797 4002 1 7 . 1 1 46 46 THR N N 46 117.670 117.670 119.029 -1.359 18797 4003 1 7 . 1 1 46 46 THR C C 46 171.910 171.910 173.818 -1.908 18797 4004 1 7 . 1 1 46 46 THR CA C 46 58.720 58.720 61.106 -2.386 18797 4005 1 7 . 1 1 46 46 THR CB C 46 71.710 71.710 69.787 1.923 18797 4006 1 7 . 1 1 46 46 THR H H 46 8.550 8.550 7.918 0.632 18797 4007 1 7 . 1 1 47 47 GLU N N 47 112.160 112.160 124.922 -12.762 18797 4008 1 7 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.438 0.142 18797 4009 1 7 . 1 1 47 47 GLU CB C 47 32.670 32.670 32.460 0.210 18797 4010 1 7 . 1 1 47 47 GLU H H 47 8.170 8.170 8.825 -0.655 18797 4011 1 7 . 1 1 49 49 SER CA C 49 58.210 58.210 60.011 -1.801 18797 4012 1 7 . 1 1 49 49 SER CB C 49 64.070 64.070 63.659 0.411 18797 4013 1 7 . 1 1 49 49 SER H H 49 174.130 174.130 8.251 165.879 18797 4014 1 7 . 1 1 50 50 ARG N N 50 124.000 124.000 125.529 -1.529 18797 4015 1 7 . 1 1 50 50 ARG C C 50 176.270 176.270 175.480 0.790 18797 4016 1 7 . 1 1 50 50 ARG CA C 50 55.960 55.960 57.109 -1.149 18797 4017 1 7 . 1 1 50 50 ARG CB C 50 30.980 30.980 31.229 -0.249 18797 4018 1 7 . 1 1 50 50 ARG H H 50 8.600 8.600 8.733 -0.133 18797 4019 1 7 . 1 1 51 51 THR N N 51 115.720 115.720 116.772 -1.052 18797 4020 1 7 . 1 1 51 51 THR C C 51 174.400 174.400 173.364 1.036 18797 4021 1 7 . 1 1 51 51 THR CA C 51 61.820 61.820 62.102 -0.282 18797 4022 1 7 . 1 1 51 51 THR H H 51 8.240 8.240 8.323 -0.083 18797 4023 1 7 . 1 1 52 52 ALA CA C 52 52.000 52.000 51.230 0.770 18797 4024 1 7 . 1 1 52 52 ALA CB C 52 18.800 18.800 20.554 -1.754 18797 4025 1 7 . 1 1 52 52 ALA H H 52 175.230 175.230 7.977 167.253 18797 4026 1 7 . 1 1 53 53 SER N N 53 113.990 113.990 116.193 -2.203 18797 4027 1 7 . 1 1 53 53 SER C C 53 175.360 175.360 175.475 -0.115 18797 4028 1 7 . 1 1 53 53 SER CA C 53 58.350 58.350 58.228 0.122 18797 4029 1 7 . 1 1 53 53 SER CB C 53 62.930 62.930 63.960 -1.030 18797 4030 1 7 . 1 1 53 53 SER H H 53 8.000 8.000 8.204 -0.204 18797 4031 1 7 . 1 1 54 54 SER N N 54 113.510 113.510 117.504 -3.994 18797 4032 1 7 . 1 1 54 54 SER C C 54 173.880 173.880 175.495 -1.615 18797 4033 1 7 . 1 1 54 54 SER CA C 54 58.500 58.500 59.791 -1.291 18797 4034 1 7 . 1 1 54 54 SER CB C 54 62.960 62.960 63.196 -0.236 18797 4035 1 7 . 1 1 54 54 SER H H 54 8.050 8.050 8.482 -0.432 18797 4036 1 7 . 1 1 55 55 GLY N N 55 112.640 112.640 109.239 3.401 18797 4037 1 7 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.872 -0.672 18797 4038 1 7 . 1 1 55 55 GLY H H 55 8.140 8.140 7.951 0.189 18797 4039 1 7 . 1 1 56 56 ASP CA C 56 54.100 54.100 54.081 0.019 18797 4040 1 7 . 1 1 56 56 ASP CB C 56 41.000 41.000 41.121 -0.121 18797 4041 1 7 . 1 1 56 56 ASP H H 56 175.600 175.600 7.158 168.442 18797 4042 1 7 . 1 1 57 57 TYR N N 57 121.140 121.140 123.582 -2.442 18797 4043 1 7 . 1 1 57 57 TYR CA C 57 57.280 57.280 57.003 0.277 18797 4044 1 7 . 1 1 57 57 TYR CB C 57 38.400 38.400 41.982 -3.582 18797 4045 1 7 . 1 1 57 57 TYR H H 57 8.150 8.150 8.105 0.045 18797 4046 1 7 . 1 1 59 59 LYS CA C 59 55.410 55.410 55.625 -0.215 18797 4047 1 7 . 1 1 59 59 LYS CB C 59 34.220 34.220 36.011 -1.791 18797 4048 1 7 . 1 1 60 60 ASN N N 60 122.740 122.740 117.205 5.535 18797 4049 1 7 . 1 1 60 60 ASN C C 60 175.260 175.260 173.698 1.562 18797 4050 1 7 . 1 1 60 60 ASN CA C 60 52.200 52.200 54.379 -2.179 18797 4051 1 7 . 1 1 60 60 ASN CB C 60 40.230 40.230 38.676 1.554 18797 4052 1 7 . 1 1 60 60 ASN H H 60 8.360 8.360 8.780 -0.420 18797 4053 1 7 . 1 1 61 61 GLN N N 61 120.450 120.450 121.773 -1.323 18797 4054 1 7 . 1 1 61 61 GLN C C 61 172.500 172.500 173.602 -1.102 18797 4055 1 7 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.187 0.553 18797 4056 1 7 . 1 1 61 61 GLN CB C 61 34.840 34.840 32.983 1.857 18797 4057 1 7 . 1 1 61 61 GLN H H 61 8.530 8.530 8.361 0.169 18797 4058 1 7 . 1 1 62 62 TYR N N 62 123.620 123.620 118.473 5.147 18797 4059 1 7 . 1 1 62 62 TYR C C 62 171.430 171.430 173.035 -1.605 18797 4060 1 7 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.325 1.515 18797 4061 1 7 . 1 1 62 62 TYR CB C 62 39.930 39.930 40.886 -0.956 18797 4062 1 7 . 1 1 62 62 TYR H H 62 8.610 8.610 7.897 0.713 18797 4063 1 7 . 1 1 63 63 TYR N N 63 123.920 123.920 118.614 5.306 18797 4064 1 7 . 1 1 63 63 TYR C C 63 174.280 174.280 175.846 -1.566 18797 4065 1 7 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.637 -1.057 18797 4066 1 7 . 1 1 63 63 TYR CB C 63 41.320 41.320 41.533 -0.213 18797 4067 1 7 . 1 1 63 63 TYR H H 63 8.400 8.400 8.621 -0.221 18797 4068 1 7 . 1 1 64 64 GLY N N 64 107.510 107.510 109.938 -2.428 18797 4069 1 7 . 1 1 64 64 GLY C C 64 174.090 174.090 172.332 1.758 18797 4070 1 7 . 1 1 64 64 GLY CA C 64 44.570 44.570 44.039 0.531 18797 4071 1 7 . 1 1 64 64 GLY H H 64 8.760 8.760 8.695 0.065 18797 4072 1 7 . 1 1 65 65 ILE N N 65 128.470 128.470 125.967 2.503 18797 4073 1 7 . 1 1 65 65 ILE C C 65 174.350 174.350 175.129 -0.779 18797 4074 1 7 . 1 1 65 65 ILE CA C 65 59.960 59.960 58.450 1.510 18797 4075 1 7 . 1 1 65 65 ILE CB C 65 39.740 39.740 39.027 0.713 18797 4076 1 7 . 1 1 65 65 ILE H H 65 8.900 8.900 8.213 0.687 18797 4077 1 7 . 1 1 66 66 THR N N 66 115.890 115.890 118.039 -2.149 18797 4078 1 7 . 1 1 66 66 THR C C 66 172.600 172.600 172.865 -0.265 18797 4079 1 7 . 1 1 66 66 THR CA C 66 58.670 58.670 59.489 -0.819 18797 4080 1 7 . 1 1 66 66 THR CB C 66 73.100 73.100 71.812 1.288 18797 4081 1 7 . 1 1 66 66 THR H H 66 8.900 8.900 8.287 0.613 18797 4082 1 7 . 1 1 67 67 ALA N N 67 119.730 119.730 123.201 -3.471 18797 4083 1 7 . 1 1 67 67 ALA C C 67 176.670 176.670 175.485 1.185 18797 4084 1 7 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.684 0.816 18797 4085 1 7 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.586 -0.526 18797 4086 1 7 . 1 1 67 67 ALA H H 67 9.370 9.370 8.377 0.993 18797 4087 1 7 . 1 1 68 68 GLY N N 68 104.240 104.240 106.735 -2.495 18797 4088 1 7 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.605 1.315 18797 4089 1 7 . 1 1 68 68 GLY H H 68 8.900 8.900 8.022 0.878 18797 4090 1 7 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.078 -0.038 18797 4091 1 7 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.635 0.055 18797 4092 1 7 . 1 1 70 70 ALA N N 70 120.220 120.220 126.857 -6.637 18797 4093 1 7 . 1 1 70 70 ALA C C 70 175.590 175.590 175.969 -0.379 18797 4094 1 7 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.059 -1.569 18797 4095 1 7 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.616 0.364 18797 4096 1 7 . 1 1 70 70 ALA H H 70 7.870 7.870 8.608 -0.738 18797 4097 1 7 . 1 1 71 71 TYR N N 71 126.080 126.080 122.326 3.754 18797 4098 1 7 . 1 1 71 71 TYR C C 71 174.090 174.090 175.502 -1.412 18797 4099 1 7 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.211 -1.091 18797 4100 1 7 . 1 1 71 71 TYR CB C 71 41.920 41.920 41.568 0.352 18797 4101 1 7 . 1 1 71 71 TYR H H 71 9.780 9.780 8.903 0.877 18797 4102 1 7 . 1 1 72 72 ARG N N 72 131.410 131.410 124.868 6.542 18797 4103 1 7 . 1 1 72 72 ARG C C 72 174.160 174.160 174.915 -0.755 18797 4104 1 7 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.537 0.483 18797 4105 1 7 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.654 -1.034 18797 4106 1 7 . 1 1 72 72 ARG H H 72 8.770 8.770 8.740 0.030 18797 4107 1 7 . 1 1 73 73 ILE N N 73 129.550 129.550 126.110 3.440 18797 4108 1 7 . 1 1 73 73 ILE C C 73 175.730 175.730 176.176 -0.446 18797 4109 1 7 . 1 1 73 73 ILE CA C 73 62.950 62.950 58.844 4.106 18797 4110 1 7 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.357 0.153 18797 4111 1 7 . 1 1 73 73 ILE H H 73 8.400 8.400 7.858 0.542 18797 4112 1 7 . 1 1 74 74 ASN N N 74 114.870 114.870 125.575 -10.705 18797 4113 1 7 . 1 1 74 74 ASN C C 74 174.860 174.860 175.201 -0.341 18797 4114 1 7 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.917 -3.087 18797 4115 1 7 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.617 -1.777 18797 4116 1 7 . 1 1 74 74 ASN H H 74 7.920 7.920 8.729 -0.809 18797 4117 1 7 . 1 1 75 75 ASP N N 75 113.980 113.980 119.139 -5.159 18797 4118 1 7 . 1 1 75 75 ASP C C 75 175.820 175.820 178.135 -2.315 18797 4119 1 7 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.224 3.696 18797 4120 1 7 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.013 -0.783 18797 4121 1 7 . 1 1 75 75 ASP H H 75 8.320 8.320 8.111 0.209 18797 4122 1 7 . 1 1 76 76 TRP N N 76 113.600 113.600 117.310 -3.710 18797 4123 1 7 . 1 1 76 76 TRP C C 76 176.310 176.310 175.233 1.077 18797 4124 1 7 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.480 -1.070 18797 4125 1 7 . 1 1 76 76 TRP CB C 76 31.160 31.160 27.802 3.358 18797 4126 1 7 . 1 1 76 76 TRP H H 76 7.970 7.970 8.284 -0.314 18797 4127 1 7 . 1 1 77 77 ALA N N 77 125.520 125.520 122.324 3.196 18797 4128 1 7 . 1 1 77 77 ALA C C 77 175.620 175.620 176.962 -1.342 18797 4129 1 7 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.349 0.721 18797 4130 1 7 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.069 2.071 18797 4131 1 7 . 1 1 77 77 ALA H H 77 7.740 7.740 7.626 0.114 18797 4132 1 7 . 1 1 78 78 SER N N 78 114.140 114.140 116.326 -2.186 18797 4133 1 7 . 1 1 78 78 SER C C 78 170.060 170.060 173.717 -3.657 18797 4134 1 7 . 1 1 78 78 SER CA C 78 57.250 57.250 60.485 -3.235 18797 4135 1 7 . 1 1 78 78 SER CB C 78 65.320 65.320 64.253 1.067 18797 4136 1 7 . 1 1 78 78 SER H H 78 8.100 8.100 7.684 0.416 18797 4137 1 7 . 1 1 79 79 ILE N N 79 120.650 120.650 121.354 -0.704 18797 4138 1 7 . 1 1 79 79 ILE C C 79 172.470 172.470 174.519 -2.049 18797 4139 1 7 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.776 -2.326 18797 4140 1 7 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.263 0.837 18797 4141 1 7 . 1 1 79 79 ILE H H 79 8.960 8.960 8.208 0.752 18797 4142 1 7 . 1 1 80 80 TYR N N 80 120.580 120.580 123.938 -3.358 18797 4143 1 7 . 1 1 80 80 TYR C C 80 173.000 173.000 173.682 -0.682 18797 4144 1 7 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.434 0.546 18797 4145 1 7 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.481 -0.451 18797 4146 1 7 . 1 1 80 80 TYR H H 80 8.360 8.360 8.474 -0.114 18797 4147 1 7 . 1 1 81 81 GLY N N 81 106.140 106.140 108.835 -2.695 18797 4148 1 7 . 1 1 81 81 GLY C C 81 170.920 170.920 172.641 -1.721 18797 4149 1 7 . 1 1 81 81 GLY CA C 81 44.000 44.000 44.214 -0.214 18797 4150 1 7 . 1 1 81 81 GLY H H 81 8.050 8.050 8.303 -0.253 18797 4151 1 7 . 1 1 82 82 VAL N N 82 111.380 111.380 118.723 -7.343 18797 4152 1 7 . 1 1 82 82 VAL C C 82 174.370 174.370 173.492 0.878 18797 4153 1 7 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.410 -1.230 18797 4154 1 7 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.673 -0.233 18797 4155 1 7 . 1 1 82 82 VAL H H 82 8.490 8.490 8.909 -0.419 18797 4156 1 7 . 1 1 83 83 VAL N N 83 113.660 113.660 121.488 -7.828 18797 4157 1 7 . 1 1 83 83 VAL C C 83 174.680 174.680 174.311 0.369 18797 4158 1 7 . 1 1 83 83 VAL CA C 83 59.090 59.090 58.957 0.133 18797 4159 1 7 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.334 0.686 18797 4160 1 7 . 1 1 83 83 VAL H H 83 8.970 8.970 8.257 0.713 18797 4161 1 7 . 1 1 84 84 GLY N N 84 108.310 108.310 114.271 -5.961 18797 4162 1 7 . 1 1 84 84 GLY C C 84 171.440 171.440 171.708 -0.268 18797 4163 1 7 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.486 2.284 18797 4164 1 7 . 1 1 84 84 GLY H H 84 8.480 8.480 8.547 -0.067 18797 4165 1 7 . 1 1 85 85 VAL N N 85 122.520 122.520 119.258 3.262 18797 4166 1 7 . 1 1 85 85 VAL C C 85 172.560 172.560 174.986 -2.426 18797 4167 1 7 . 1 1 85 85 VAL CA C 85 59.170 59.170 60.837 -1.667 18797 4168 1 7 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.277 1.533 18797 4169 1 7 . 1 1 85 85 VAL H H 85 8.920 8.920 7.927 0.993 18797 4170 1 7 . 1 1 86 86 GLY N N 86 113.360 113.360 113.125 0.235 18797 4171 1 7 . 1 1 86 86 GLY C C 86 172.210 172.210 172.209 0.001 18797 4172 1 7 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.585 -0.305 18797 4173 1 7 . 1 1 86 86 GLY H H 86 8.880 8.880 8.293 0.587 18797 4174 1 7 . 1 1 87 87 TYR N N 87 123.830 123.830 123.057 0.773 18797 4175 1 7 . 1 1 87 87 TYR C C 87 174.030 174.030 175.251 -1.221 18797 4176 1 7 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.821 0.109 18797 4177 1 7 . 1 1 87 87 TYR CB C 87 42.030 42.030 40.510 1.520 18797 4178 1 7 . 1 1 87 87 TYR H H 87 9.310 9.310 8.723 0.587 18797 4179 1 7 . 1 1 88 88 GLY N N 88 112.300 112.300 110.403 1.897 18797 4180 1 7 . 1 1 88 88 GLY C C 88 170.620 170.620 172.205 -1.585 18797 4181 1 7 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.739 0.662 18797 4182 1 7 . 1 1 88 88 GLY H H 88 8.000 8.000 8.639 -0.639 18797 4183 1 7 . 1 1 89 89 LYS N N 89 122.410 122.410 119.001 3.409 18797 4184 1 7 . 1 1 89 89 LYS CA C 89 54.480 54.480 55.147 -0.667 18797 4185 1 7 . 1 1 89 89 LYS H H 89 8.230 8.230 8.816 -0.586 18797 4186 1 7 . 1 1 90 90 PHE C C 90 175.190 175.190 174.321 0.869 18797 4187 1 7 . 1 1 90 90 PHE CA C 90 55.030 55.030 58.047 -3.017 18797 4188 1 7 . 1 1 90 90 PHE CB C 90 40.510 40.510 40.746 -0.236 18797 4189 1 7 . 1 1 91 91 GLN N N 91 122.380 122.380 127.234 -4.854 18797 4190 1 7 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.208 1.122 18797 4191 1 7 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.887 -2.187 18797 4192 1 7 . 1 1 91 91 GLN H H 91 8.370 8.370 8.075 0.295 18797 4193 1 7 . 1 1 94 94 GLU N N 94 175.780 175.780 119.656 56.124 18797 4194 1 7 . 1 1 94 94 GLU CA C 94 57.030 57.030 56.896 0.134 18797 4195 1 7 . 1 1 94 94 GLU CB C 94 29.460 29.460 30.574 -1.114 18797 4196 1 7 . 1 1 95 95 TYR N N 95 120.240 120.240 116.084 4.156 18797 4197 1 7 . 1 1 95 95 TYR CA C 95 55.290 55.290 56.314 -1.024 18797 4198 1 7 . 1 1 95 95 TYR CB C 95 37.730 37.730 40.762 -3.032 18797 4199 1 7 . 1 1 95 95 TYR H H 95 7.830 7.830 7.994 -0.164 18797 4200 1 7 . 1 1 97 97 THR CA C 97 62.210 62.210 65.491 -3.281 18797 4201 1 7 . 1 1 97 97 THR H H 97 174.320 174.320 8.911 165.409 18797 4202 1 7 . 1 1 98 98 TYR N N 98 122.540 122.540 118.183 4.357 18797 4203 1 7 . 1 1 98 98 TYR C C 98 175.000 175.000 174.361 0.639 18797 4204 1 7 . 1 1 98 98 TYR CA C 98 57.530 57.530 59.428 -1.898 18797 4205 1 7 . 1 1 98 98 TYR CB C 98 38.350 38.350 39.204 -0.854 18797 4206 1 7 . 1 1 98 98 TYR H H 98 8.040 8.040 8.186 -0.146 18797 4207 1 7 . 1 1 101 101 ASP CA C 101 54.020 54.020 55.303 -1.283 18797 4208 1 7 . 1 1 101 101 ASP CB C 101 39.700 39.700 40.999 -1.299 18797 4209 1 7 . 1 1 101 101 ASP H H 101 176.040 176.040 8.888 167.152 18797 4210 1 7 . 1 1 102 102 THR N N 102 117.650 117.650 111.090 6.560 18797 4211 1 7 . 1 1 102 102 THR C C 102 173.840 173.840 174.246 -0.406 18797 4212 1 7 . 1 1 102 102 THR CA C 102 61.590 61.590 63.626 -2.036 18797 4213 1 7 . 1 1 102 102 THR CB C 102 69.970 69.970 68.471 1.499 18797 4214 1 7 . 1 1 102 102 THR H H 102 8.520 8.520 8.259 0.261 18797 4215 1 7 . 1 1 103 103 SER N N 103 119.470 119.470 116.762 2.708 18797 4216 1 7 . 1 1 103 103 SER C C 103 173.580 173.580 174.084 -0.504 18797 4217 1 7 . 1 1 103 103 SER CA C 103 57.310 57.310 58.261 -0.951 18797 4218 1 7 . 1 1 103 103 SER H H 103 8.240 8.240 8.492 -0.252 18797 4219 1 7 . 1 1 104 104 ASP N N 104 122.250 122.250 122.924 -0.674 18797 4220 1 7 . 1 1 104 104 ASP C C 104 173.100 173.100 173.733 -0.633 18797 4221 1 7 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.359 -0.759 18797 4222 1 7 . 1 1 104 104 ASP CB C 104 44.060 44.060 44.578 -0.518 18797 4223 1 7 . 1 1 104 104 ASP H H 104 8.270 8.270 7.909 0.361 18797 4224 1 7 . 1 1 105 105 TYR N N 105 116.040 116.040 120.690 -4.650 18797 4225 1 7 . 1 1 105 105 TYR C C 105 175.860 175.860 176.211 -0.351 18797 4226 1 7 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.436 -0.886 18797 4227 1 7 . 1 1 105 105 TYR CB C 105 41.630 41.630 40.252 1.379 18797 4228 1 7 . 1 1 105 105 TYR H H 105 8.560 8.560 8.420 0.140 18797 4229 1 7 . 1 1 106 106 GLY N N 106 108.500 108.500 108.477 0.023 18797 4230 1 7 . 1 1 106 106 GLY C C 106 172.030 172.030 171.445 0.585 18797 4231 1 7 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.189 0.301 18797 4232 1 7 . 1 1 106 106 GLY H H 106 9.190 9.190 8.321 0.869 18797 4233 1 7 . 1 1 107 107 PHE N N 107 121.420 121.420 119.632 1.788 18797 4234 1 7 . 1 1 107 107 PHE C C 107 175.430 175.430 174.943 0.487 18797 4235 1 7 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.796 0.744 18797 4236 1 7 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.215 -1.015 18797 4237 1 7 . 1 1 107 107 PHE H H 107 8.860 8.860 8.503 0.357 18797 4238 1 7 . 1 1 108 108 SER N N 108 123.250 123.250 118.074 5.176 18797 4239 1 7 . 1 1 108 108 SER C C 108 171.430 171.430 173.095 -1.665 18797 4240 1 7 . 1 1 108 108 SER CA C 108 56.100 56.100 57.125 -1.025 18797 4241 1 7 . 1 1 108 108 SER CB C 108 65.720 65.720 65.193 0.527 18797 4242 1 7 . 1 1 108 108 SER H H 108 8.110 8.110 8.390 -0.280 18797 4243 1 7 . 1 1 109 109 TYR N N 109 117.840 117.840 122.791 -4.951 18797 4244 1 7 . 1 1 109 109 TYR C C 109 173.560 173.560 175.095 -1.535 18797 4245 1 7 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.267 -0.947 18797 4246 1 7 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.432 -2.872 18797 4247 1 7 . 1 1 109 109 TYR H H 109 8.480 8.480 8.425 0.055 18797 4248 1 7 . 1 1 110 110 GLY N N 110 106.400 106.400 108.415 -2.015 18797 4249 1 7 . 1 1 110 110 GLY C C 110 171.350 171.350 171.623 -0.273 18797 4250 1 7 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.122 2.038 18797 4251 1 7 . 1 1 110 110 GLY H H 110 8.980 8.980 8.737 0.243 18797 4252 1 7 . 1 1 111 111 ALA N N 111 119.140 119.140 121.777 -2.637 18797 4253 1 7 . 1 1 111 111 ALA C C 111 174.640 174.640 175.010 -0.370 18797 4254 1 7 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.471 0.499 18797 4255 1 7 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.873 -0.724 18797 4256 1 7 . 1 1 111 111 ALA H H 111 8.390 8.390 8.226 0.164 18797 4257 1 7 . 1 1 112 112 GLY N N 112 106.070 106.070 106.840 -0.770 18797 4258 1 7 . 1 1 112 112 GLY C C 112 169.770 169.770 171.767 -1.997 18797 4259 1 7 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.388 0.882 18797 4260 1 7 . 1 1 112 112 GLY H H 112 7.820 7.820 7.737 0.083 18797 4261 1 7 . 1 1 113 113 LEU N N 113 116.370 116.370 119.735 -3.365 18797 4262 1 7 . 1 1 113 113 LEU C C 113 175.090 175.090 175.819 -0.729 18797 4263 1 7 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.285 -0.595 18797 4264 1 7 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.535 1.025 18797 4265 1 7 . 1 1 113 113 LEU H H 113 8.930 8.930 8.396 0.534 18797 4266 1 7 . 1 1 114 114 GLN N N 114 115.860 115.860 121.465 -5.605 18797 4267 1 7 . 1 1 114 114 GLN C C 114 176.910 176.910 174.152 2.758 18797 4268 1 7 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.696 -0.966 18797 4269 1 7 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.121 0.169 18797 4270 1 7 . 1 1 114 114 GLN H H 114 7.860 7.860 8.435 -0.575 18797 4271 1 7 . 1 1 115 115 PHE N N 115 126.580 126.580 126.029 0.551 18797 4272 1 7 . 1 1 115 115 PHE C C 115 175.740 175.740 172.840 2.900 18797 4273 1 7 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.451 -2.251 18797 4274 1 7 . 1 1 115 115 PHE CB C 115 43.370 43.370 42.632 0.738 18797 4275 1 7 . 1 1 115 115 PHE H H 115 9.750 9.750 8.717 1.033 18797 4276 1 7 . 1 1 116 116 ASN N N 116 119.920 119.920 123.275 -3.355 18797 4277 1 7 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.851 0.349 18797 4278 1 7 . 1 1 116 116 ASN CB C 116 40.650 40.650 39.573 1.077 18797 4279 1 7 . 1 1 116 116 ASN H H 116 9.450 9.450 8.136 1.314 18797 4280 1 7 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.659 2.041 18797 4281 1 7 . 1 1 118 118 MET N N 118 110.530 110.530 119.233 -8.703 18797 4282 1 7 . 1 1 118 118 MET C C 118 176.130 176.130 176.606 -0.476 18797 4283 1 7 . 1 1 118 118 MET CA C 118 53.980 53.980 56.786 -2.806 18797 4284 1 7 . 1 1 118 118 MET CB C 118 36.310 36.310 33.166 3.144 18797 4285 1 7 . 1 1 118 118 MET H H 118 7.310 7.310 8.208 -0.898 18797 4286 1 7 . 1 1 119 119 GLU N N 119 120.320 120.320 122.141 -1.821 18797 4287 1 7 . 1 1 119 119 GLU C C 119 176.810 176.810 176.184 0.626 18797 4288 1 7 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.776 1.824 18797 4289 1 7 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.363 -0.213 18797 4290 1 7 . 1 1 119 119 GLU H H 119 9.120 9.120 8.906 0.214 18797 4291 1 7 . 1 1 120 120 ASN N N 120 112.490 112.490 117.781 -5.291 18797 4292 1 7 . 1 1 120 120 ASN C C 120 174.080 174.080 176.317 -2.237 18797 4293 1 7 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.084 -1.685 18797 4294 1 7 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.307 0.523 18797 4295 1 7 . 1 1 120 120 ASN H H 120 8.430 8.430 8.565 -0.135 18797 4296 1 7 . 1 1 121 121 VAL N N 121 117.760 117.760 118.255 -0.495 18797 4297 1 7 . 1 1 121 121 VAL C C 121 174.750 174.750 175.230 -0.480 18797 4298 1 7 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.623 -1.933 18797 4299 1 7 . 1 1 121 121 VAL CB C 121 34.900 34.900 30.017 4.883 18797 4300 1 7 . 1 1 121 121 VAL H H 121 7.500 7.500 7.335 0.165 18797 4301 1 7 . 1 1 122 122 ALA N N 122 127.190 127.190 123.594 3.596 18797 4302 1 7 . 1 1 122 122 ALA C C 122 175.140 175.140 175.451 -0.311 18797 4303 1 7 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.820 -1.430 18797 4304 1 7 . 1 1 122 122 ALA CB C 122 22.820 22.820 22.041 0.779 18797 4305 1 7 . 1 1 122 122 ALA H H 122 8.230 8.230 7.462 0.768 18797 4306 1 7 . 1 1 123 123 LEU N N 123 120.270 120.270 123.603 -3.333 18797 4307 1 7 . 1 1 123 123 LEU C C 123 174.310 174.310 175.380 -1.070 18797 4308 1 7 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.073 0.587 18797 4309 1 7 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.213 -1.703 18797 4310 1 7 . 1 1 123 123 LEU H H 123 8.910 8.910 8.470 0.440 18797 4311 1 7 . 1 1 124 124 ASP N N 124 127.350 127.350 119.625 7.725 18797 4312 1 7 . 1 1 124 124 ASP C C 124 171.830 171.830 174.464 -2.634 18797 4313 1 7 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.022 1.798 18797 4314 1 7 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.002 3.488 18797 4315 1 7 . 1 1 124 124 ASP H H 124 8.580 8.580 8.198 0.382 18797 4316 1 7 . 1 1 125 125 PHE N N 125 123.390 123.390 119.805 3.585 18797 4317 1 7 . 1 1 125 125 PHE C C 125 174.130 174.130 174.853 -0.723 18797 4318 1 7 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.597 -0.937 18797 4319 1 7 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.969 -0.269 18797 4320 1 7 . 1 1 125 125 PHE H H 125 8.670 8.670 8.272 0.398 18797 4321 1 7 . 1 1 126 126 SER N N 126 118.680 118.680 115.874 2.806 18797 4322 1 7 . 1 1 126 126 SER C C 126 169.980 169.980 172.559 -2.579 18797 4323 1 7 . 1 1 126 126 SER CA C 126 58.120 58.120 57.303 0.817 18797 4324 1 7 . 1 1 126 126 SER CB C 126 66.950 66.950 66.963 -0.013 18797 4325 1 7 . 1 1 126 126 SER H H 126 9.390 9.390 8.472 0.918 18797 4326 1 7 . 1 1 127 127 TYR N N 127 119.080 119.080 120.433 -1.353 18797 4327 1 7 . 1 1 127 127 TYR C C 127 174.390 174.390 175.071 -0.681 18797 4328 1 7 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.462 -1.022 18797 4329 1 7 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.954 1.146 18797 4330 1 7 . 1 1 127 127 TYR H H 127 8.610 8.610 8.705 -0.095 18797 4331 1 7 . 1 1 128 128 GLU N N 128 130.070 130.070 120.211 9.859 18797 4332 1 7 . 1 1 128 128 GLU C C 128 172.590 172.590 175.216 -2.626 18797 4333 1 7 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.493 -0.363 18797 4334 1 7 . 1 1 128 128 GLU CB C 128 33.500 33.500 34.104 -0.604 18797 4335 1 7 . 1 1 128 128 GLU H H 128 8.510 8.510 9.084 -0.574 18797 4336 1 7 . 1 1 129 129 GLN N N 129 128.670 128.670 123.030 5.640 18797 4337 1 7 . 1 1 129 129 GLN C C 129 173.690 173.690 174.627 -0.937 18797 4338 1 7 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.285 -1.075 18797 4339 1 7 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.739 -1.689 18797 4340 1 7 . 1 1 129 129 GLN H H 129 9.330 9.330 8.978 0.352 18797 4341 1 7 . 1 1 130 130 SER N N 130 118.630 118.630 121.563 -2.933 18797 4342 1 7 . 1 1 130 130 SER C C 130 174.210 174.210 173.862 0.348 18797 4343 1 7 . 1 1 130 130 SER CA C 130 56.450 56.450 57.309 -0.859 18797 4344 1 7 . 1 1 130 130 SER CB C 130 66.260 66.260 65.750 0.510 18797 4345 1 7 . 1 1 130 130 SER H H 130 8.580 8.580 8.132 0.448 18797 4346 1 7 . 1 1 131 131 ARG N N 131 126.850 126.850 124.240 2.610 18797 4347 1 7 . 1 1 131 131 ARG C C 131 174.740 174.740 175.970 -1.230 18797 4348 1 7 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.874 -0.534 18797 4349 1 7 . 1 1 131 131 ARG CB C 131 30.910 30.910 32.009 -1.099 18797 4350 1 7 . 1 1 131 131 ARG H H 131 7.690 7.690 8.908 -1.218 18797 4351 1 7 . 1 1 132 132 ILE N N 132 129.470 129.470 126.623 2.847 18797 4352 1 7 . 1 1 132 132 ILE C C 132 175.500 175.500 175.427 0.073 18797 4353 1 7 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.139 -2.249 18797 4354 1 7 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.878 0.442 18797 4355 1 7 . 1 1 132 132 ILE H H 132 8.730 8.730 8.699 0.031 18797 4356 1 7 . 1 1 133 133 ARG N N 133 127.220 127.220 128.112 -0.892 18797 4357 1 7 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.626 2.484 18797 4358 1 7 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.892 -3.572 18797 4359 1 7 . 1 1 133 133 ARG H H 133 9.400 9.400 8.186 1.214 18797 4360 1 7 . 1 1 134 134 SER C C 134 173.290 173.290 173.562 -0.272 18797 4361 1 7 . 1 1 134 134 SER CA C 134 58.490 58.490 60.202 -1.712 18797 4362 1 7 . 1 1 134 134 SER CB C 134 62.860 62.860 63.019 -0.159 18797 4363 1 7 . 1 1 135 135 VAL N N 135 124.810 124.810 116.140 8.670 18797 4364 1 7 . 1 1 135 135 VAL C C 135 174.650 174.650 174.103 0.547 18797 4365 1 7 . 1 1 135 135 VAL CA C 135 61.870 61.870 60.138 1.732 18797 4366 1 7 . 1 1 135 135 VAL CB C 135 32.060 32.060 33.761 -1.701 18797 4367 1 7 . 1 1 135 135 VAL H H 135 8.270 8.270 7.232 1.038 18797 4368 1 7 . 1 1 136 136 ASP N N 136 127.750 127.750 124.842 2.908 18797 4369 1 7 . 1 1 136 136 ASP C C 136 175.130 175.130 175.609 -0.479 18797 4370 1 7 . 1 1 136 136 ASP CA C 136 54.220 54.220 53.242 0.978 18797 4371 1 7 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.873 -2.123 18797 4372 1 7 . 1 1 136 136 ASP H H 136 8.010 8.010 8.459 -0.449 18797 4373 1 7 . 1 1 137 137 VAL N N 137 124.520 124.520 124.546 -0.026 18797 4374 1 7 . 1 1 137 137 VAL C C 137 174.690 174.690 175.317 -0.627 18797 4375 1 7 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.233 -0.784 18797 4376 1 7 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.371 -0.571 18797 4377 1 7 . 1 1 137 137 VAL H H 137 8.720 8.720 7.807 0.913 18797 4378 1 7 . 1 1 138 138 GLY N N 138 116.920 116.920 114.679 2.241 18797 4379 1 7 . 1 1 138 138 GLY C C 138 172.930 172.930 172.835 0.095 18797 4380 1 7 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.460 0.020 18797 4381 1 7 . 1 1 138 138 GLY H H 138 8.240 8.240 8.336 -0.096 18797 4382 1 7 . 1 1 139 139 THR N N 139 125.070 125.070 122.873 2.197 18797 4383 1 7 . 1 1 139 139 THR C C 139 171.920 171.920 173.508 -1.588 18797 4384 1 7 . 1 1 139 139 THR CA C 139 60.890 60.890 61.474 -0.584 18797 4385 1 7 . 1 1 139 139 THR CB C 139 70.290 70.290 71.981 -1.690 18797 4386 1 7 . 1 1 139 139 THR H H 139 8.710 8.710 8.199 0.511 18797 4387 1 7 . 1 1 140 140 TRP N N 140 125.840 125.840 125.561 0.279 18797 4388 1 7 . 1 1 140 140 TRP C C 140 175.070 175.070 173.809 1.261 18797 4389 1 7 . 1 1 140 140 TRP CA C 140 55.130 55.130 54.902 0.228 18797 4390 1 7 . 1 1 140 140 TRP CB C 140 32.100 32.100 31.854 0.246 18797 4391 1 7 . 1 1 140 140 TRP H H 140 8.330 8.330 7.917 0.413 18797 4392 1 7 . 1 1 141 141 ILE N N 141 123.240 123.240 115.968 7.272 18797 4393 1 7 . 1 1 141 141 ILE C C 141 174.870 174.870 173.772 1.098 18797 4394 1 7 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.578 1.812 18797 4395 1 7 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.505 -1.875 18797 4396 1 7 . 1 1 141 141 ILE H H 141 8.980 8.980 8.575 0.405 18797 4397 1 7 . 1 1 142 142 ALA N N 142 127.680 127.680 123.573 4.107 18797 4398 1 7 . 1 1 142 142 ALA C C 142 175.700 175.700 175.565 0.135 18797 4399 1 7 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.352 0.178 18797 4400 1 7 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.458 -0.248 18797 4401 1 7 . 1 1 142 142 ALA H H 142 8.350 8.350 7.921 0.429 18797 4402 1 7 . 1 1 143 143 GLY N N 143 109.030 109.030 109.202 -0.172 18797 4403 1 7 . 1 1 143 143 GLY C C 143 172.090 172.090 171.845 0.245 18797 4404 1 7 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.288 1.142 18797 4405 1 7 . 1 1 143 143 GLY H H 143 9.520 9.520 8.150 1.370 18797 4406 1 7 . 1 1 144 144 VAL N N 144 114.110 114.110 116.011 -1.901 18797 4407 1 7 . 1 1 144 144 VAL C C 144 174.010 174.010 174.742 -0.732 18797 4408 1 7 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.549 -0.279 18797 4409 1 7 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.659 0.831 18797 4410 1 7 . 1 1 144 144 VAL H H 144 8.750 8.750 8.524 0.226 18797 4411 1 7 . 1 1 145 145 GLY N N 145 107.360 107.360 110.758 -3.398 18797 4412 1 7 . 1 1 145 145 GLY C C 145 171.210 171.210 171.786 -0.576 18797 4413 1 7 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.816 1.954 18797 4414 1 7 . 1 1 145 145 GLY H H 145 8.590 8.590 8.503 0.087 18797 4415 1 7 . 1 1 146 146 TYR N N 146 121.960 121.960 114.706 7.254 18797 4416 1 7 . 1 1 146 146 TYR C C 146 172.440 172.440 173.615 -1.175 18797 4417 1 7 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.453 -0.203 18797 4418 1 7 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.703 2.567 18797 4419 1 7 . 1 1 146 146 TYR H H 146 8.370 8.370 7.794 0.576 18797 4420 1 7 . 1 1 147 147 ARG N N 147 129.590 129.590 120.345 9.245 18797 4421 1 7 . 1 1 147 147 ARG C C 147 173.850 173.850 175.045 -1.195 18797 4422 1 7 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.609 -1.249 18797 4423 1 7 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.594 -1.174 18797 4424 1 7 . 1 1 147 147 ARG H H 147 7.690 7.690 8.466 -0.776 18797 4425 1 8 . 1 1 2 2 THR N N 2 114.280 114.280 112.392 1.888 18797 4426 1 8 . 1 1 2 2 THR C C 2 173.570 173.570 173.137 0.433 18797 4427 1 8 . 1 1 2 2 THR CA C 2 61.040 61.040 60.828 0.212 18797 4428 1 8 . 1 1 2 2 THR CB C 2 71.930 71.930 71.130 0.799 18797 4429 1 8 . 1 1 2 2 THR H H 2 8.490 8.490 8.461 0.029 18797 4430 1 8 . 1 1 3 3 SER N N 3 122.430 122.430 115.771 6.659 18797 4431 1 8 . 1 1 3 3 SER C C 3 172.590 172.590 173.138 -0.548 18797 4432 1 8 . 1 1 3 3 SER CA C 3 56.760 56.760 57.120 -0.360 18797 4433 1 8 . 1 1 3 3 SER CB C 3 65.480 65.480 66.171 -0.690 18797 4434 1 8 . 1 1 3 3 SER H H 3 9.000 9.000 8.205 0.795 18797 4435 1 8 . 1 1 4 4 THR N N 4 117.240 117.240 112.179 5.061 18797 4436 1 8 . 1 1 4 4 THR C C 4 174.640 174.640 173.448 1.192 18797 4437 1 8 . 1 1 4 4 THR CA C 4 61.390 61.390 60.149 1.241 18797 4438 1 8 . 1 1 4 4 THR CB C 4 70.680 70.680 71.838 -1.158 18797 4439 1 8 . 1 1 4 4 THR H H 4 8.610 8.610 8.013 0.597 18797 4440 1 8 . 1 1 5 5 VAL N N 5 129.440 129.440 122.269 7.171 18797 4441 1 8 . 1 1 5 5 VAL C C 5 174.770 174.770 174.960 -0.190 18797 4442 1 8 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.319 -0.559 18797 4443 1 8 . 1 1 5 5 VAL CB C 5 33.490 33.490 34.018 -0.528 18797 4444 1 8 . 1 1 5 5 VAL H H 5 8.750 8.750 7.797 0.953 18797 4445 1 8 . 1 1 6 6 THR N N 6 116.430 116.430 122.367 -5.937 18797 4446 1 8 . 1 1 6 6 THR C C 6 172.930 172.930 173.208 -0.278 18797 4447 1 8 . 1 1 6 6 THR CA C 6 58.590 58.590 60.685 -2.095 18797 4448 1 8 . 1 1 6 6 THR CB C 6 70.930 70.930 71.822 -0.892 18797 4449 1 8 . 1 1 6 6 THR H H 6 8.890 8.890 8.018 0.872 18797 4450 1 8 . 1 1 7 7 GLY N N 7 105.590 105.590 109.930 -4.340 18797 4451 1 8 . 1 1 7 7 GLY C C 7 172.430 172.430 171.712 0.718 18797 4452 1 8 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.611 0.709 18797 4453 1 8 . 1 1 7 7 GLY H H 7 8.760 8.760 8.261 0.499 18797 4454 1 8 . 1 1 8 8 GLY N N 8 106.530 106.530 108.918 -2.388 18797 4455 1 8 . 1 1 8 8 GLY C C 8 173.030 173.030 171.506 1.524 18797 4456 1 8 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.340 1.590 18797 4457 1 8 . 1 1 8 8 GLY H H 8 9.100 9.100 7.433 1.667 18797 4458 1 8 . 1 1 9 9 TYR N N 9 121.730 121.730 118.376 3.354 18797 4459 1 8 . 1 1 9 9 TYR C C 9 172.390 172.390 174.250 -1.860 18797 4460 1 8 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.203 0.637 18797 4461 1 8 . 1 1 9 9 TYR CB C 9 41.080 41.080 41.990 -0.910 18797 4462 1 8 . 1 1 9 9 TYR H H 9 8.410 8.410 7.960 0.450 18797 4463 1 8 . 1 1 10 10 ALA N N 10 128.460 128.460 123.852 4.608 18797 4464 1 8 . 1 1 10 10 ALA C C 10 174.020 174.020 176.081 -2.061 18797 4465 1 8 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.418 -1.208 18797 4466 1 8 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.165 0.055 18797 4467 1 8 . 1 1 10 10 ALA H H 10 6.910 6.910 9.094 -2.184 18797 4468 1 8 . 1 1 11 11 GLN N N 11 118.830 118.830 121.441 -2.611 18797 4469 1 8 . 1 1 11 11 GLN C C 11 175.650 175.650 175.471 0.179 18797 4470 1 8 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.534 0.296 18797 4471 1 8 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.820 -0.760 18797 4472 1 8 . 1 1 11 11 GLN H H 11 8.100 8.100 8.432 -0.332 18797 4473 1 8 . 1 1 12 12 SER N N 12 124.200 124.200 119.279 4.921 18797 4474 1 8 . 1 1 12 12 SER C C 12 172.710 172.710 174.102 -1.392 18797 4475 1 8 . 1 1 12 12 SER CA C 12 57.190 57.190 57.035 0.155 18797 4476 1 8 . 1 1 12 12 SER CB C 12 64.180 64.180 65.460 -1.280 18797 4477 1 8 . 1 1 12 12 SER H H 12 9.160 9.160 8.596 0.564 18797 4478 1 8 . 1 1 13 13 ASP N N 13 124.950 124.950 122.255 2.695 18797 4479 1 8 . 1 1 13 13 ASP C C 13 174.860 174.860 175.412 -0.552 18797 4480 1 8 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.973 -1.013 18797 4481 1 8 . 1 1 13 13 ASP CB C 13 42.920 42.920 41.769 1.151 18797 4482 1 8 . 1 1 13 13 ASP H H 13 9.070 9.070 8.200 0.870 18797 4483 1 8 . 1 1 14 14 ALA N N 14 128.730 128.730 125.910 2.820 18797 4484 1 8 . 1 1 14 14 ALA C C 14 176.230 176.230 177.188 -0.958 18797 4485 1 8 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.450 -1.640 18797 4486 1 8 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.501 -1.001 18797 4487 1 8 . 1 1 14 14 ALA H H 14 8.560 8.560 8.143 0.417 18797 4488 1 8 . 1 1 15 15 GLN N N 15 122.750 122.750 122.115 0.635 18797 4489 1 8 . 1 1 15 15 GLN C C 15 176.660 176.660 176.196 0.464 18797 4490 1 8 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.960 2.160 18797 4491 1 8 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.013 -1.853 18797 4492 1 8 . 1 1 15 15 GLN H H 15 8.340 8.340 8.736 -0.396 18797 4493 1 8 . 1 1 16 16 GLY N N 16 112.800 112.800 108.438 4.362 18797 4494 1 8 . 1 1 16 16 GLY C C 16 174.400 174.400 173.927 0.473 18797 4495 1 8 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.440 -0.260 18797 4496 1 8 . 1 1 16 16 GLY H H 16 8.650 8.650 8.294 0.356 18797 4497 1 8 . 1 1 17 17 GLN N N 17 119.300 119.300 118.840 0.460 18797 4498 1 8 . 1 1 17 17 GLN C C 17 175.720 175.720 175.000 0.720 18797 4499 1 8 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.729 -2.129 18797 4500 1 8 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.513 5.287 18797 4501 1 8 . 1 1 17 17 GLN H H 17 8.080 8.080 8.794 -0.714 18797 4502 1 8 . 1 1 18 18 MET N N 18 120.170 120.170 116.536 3.634 18797 4503 1 8 . 1 1 18 18 MET C C 18 175.400 175.400 174.821 0.579 18797 4504 1 8 . 1 1 18 18 MET CA C 18 55.980 55.980 53.956 2.023 18797 4505 1 8 . 1 1 18 18 MET CB C 18 35.590 35.590 35.931 -0.341 18797 4506 1 8 . 1 1 18 18 MET H H 18 8.370 8.370 7.702 0.668 18797 4507 1 8 . 1 1 19 19 ASN N N 19 117.900 117.900 119.354 -1.454 18797 4508 1 8 . 1 1 19 19 ASN C C 19 174.400 174.400 174.738 -0.338 18797 4509 1 8 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.581 -0.281 18797 4510 1 8 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.772 -0.372 18797 4511 1 8 . 1 1 19 19 ASN H H 19 7.990 7.990 8.468 -0.478 18797 4512 1 8 . 1 1 20 20 LYS N N 20 120.800 120.800 122.792 -1.992 18797 4513 1 8 . 1 1 20 20 LYS C C 20 176.410 176.410 176.119 0.291 18797 4514 1 8 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.871 -1.171 18797 4515 1 8 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.429 -1.529 18797 4516 1 8 . 1 1 20 20 LYS H H 20 8.340 8.340 8.563 -0.223 18797 4517 1 8 . 1 1 21 21 MET N N 21 120.500 120.500 118.359 2.141 18797 4518 1 8 . 1 1 21 21 MET C C 21 175.270 175.270 175.806 -0.536 18797 4519 1 8 . 1 1 21 21 MET CA C 21 54.800 54.800 54.689 0.111 18797 4520 1 8 . 1 1 21 21 MET CB C 21 34.730 34.730 36.099 -1.369 18797 4521 1 8 . 1 1 21 21 MET H H 21 8.580 8.580 7.836 0.744 18797 4522 1 8 . 1 1 22 22 GLY N N 22 111.280 111.280 108.802 2.478 18797 4523 1 8 . 1 1 22 22 GLY C C 22 174.030 174.030 172.429 1.601 18797 4524 1 8 . 1 1 22 22 GLY CA C 22 43.810 43.810 44.049 -0.239 18797 4525 1 8 . 1 1 22 22 GLY H H 22 8.430 8.430 8.396 0.034 18797 4526 1 8 . 1 1 23 23 GLY N N 23 120.170 120.170 110.383 9.787 18797 4527 1 8 . 1 1 23 23 GLY C C 23 171.850 171.850 171.842 0.008 18797 4528 1 8 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.921 2.229 18797 4529 1 8 . 1 1 23 23 GLY H H 23 8.180 8.180 8.416 -0.236 18797 4530 1 8 . 1 1 24 24 PHE N N 24 121.370 121.370 123.489 -2.119 18797 4531 1 8 . 1 1 24 24 PHE C C 24 171.570 171.570 173.704 -2.134 18797 4532 1 8 . 1 1 24 24 PHE CA C 24 54.730 54.730 55.807 -1.077 18797 4533 1 8 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.790 0.720 18797 4534 1 8 . 1 1 24 24 PHE H H 24 9.230 9.230 8.647 0.583 18797 4535 1 8 . 1 1 25 25 ASN N N 25 118.950 118.950 124.647 -5.697 18797 4536 1 8 . 1 1 25 25 ASN C C 25 172.080 172.080 172.921 -0.841 18797 4537 1 8 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.539 -0.669 18797 4538 1 8 . 1 1 25 25 ASN CB C 25 46.450 46.450 41.713 4.737 18797 4539 1 8 . 1 1 25 25 ASN H H 25 8.520 8.520 7.808 0.712 18797 4540 1 8 . 1 1 26 26 LEU N N 26 126.150 126.150 124.081 2.069 18797 4541 1 8 . 1 1 26 26 LEU C C 26 175.620 175.620 174.877 0.743 18797 4542 1 8 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.719 -0.229 18797 4543 1 8 . 1 1 26 26 LEU CB C 26 46.630 46.630 46.178 0.452 18797 4544 1 8 . 1 1 26 26 LEU H H 26 9.340 9.340 8.270 1.070 18797 4545 1 8 . 1 1 27 27 LYS N N 27 117.980 117.980 124.128 -6.148 18797 4546 1 8 . 1 1 27 27 LYS C C 27 175.120 175.120 175.504 -0.384 18797 4547 1 8 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.068 1.122 18797 4548 1 8 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.518 0.052 18797 4549 1 8 . 1 1 27 27 LYS H H 27 8.850 8.850 8.398 0.452 18797 4550 1 8 . 1 1 28 28 TYR N N 28 120.820 120.820 119.697 1.123 18797 4551 1 8 . 1 1 28 28 TYR C C 28 172.480 172.480 173.770 -1.290 18797 4552 1 8 . 1 1 28 28 TYR CA C 28 56.280 56.280 55.203 1.077 18797 4553 1 8 . 1 1 28 28 TYR CB C 28 41.900 41.900 41.782 0.118 18797 4554 1 8 . 1 1 28 28 TYR H H 28 8.430 8.430 8.364 0.066 18797 4555 1 8 . 1 1 29 29 ARG N N 29 129.660 129.660 120.247 9.413 18797 4556 1 8 . 1 1 29 29 ARG C C 29 172.780 172.780 174.913 -2.133 18797 4557 1 8 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.334 -1.334 18797 4558 1 8 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.970 -0.960 18797 4559 1 8 . 1 1 29 29 ARG H H 29 8.670 8.670 7.943 0.727 18797 4560 1 8 . 1 1 30 30 TYR N N 30 127.210 127.210 121.104 6.106 18797 4561 1 8 . 1 1 30 30 TYR C C 30 175.000 175.000 175.769 -0.769 18797 4562 1 8 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.747 0.083 18797 4563 1 8 . 1 1 30 30 TYR CB C 30 42.140 42.140 41.353 0.787 18797 4564 1 8 . 1 1 30 30 TYR H H 30 8.930 8.930 8.336 0.594 18797 4565 1 8 . 1 1 31 31 GLU N N 31 128.090 128.090 123.553 4.537 18797 4566 1 8 . 1 1 31 31 GLU C C 31 174.250 174.250 175.985 -1.735 18797 4567 1 8 . 1 1 31 31 GLU CA C 31 54.630 54.630 56.106 -1.476 18797 4568 1 8 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.981 1.509 18797 4569 1 8 . 1 1 31 31 GLU H H 31 8.170 8.170 8.309 -0.139 18797 4570 1 8 . 1 1 32 32 GLU N N 32 122.610 122.610 125.114 -2.504 18797 4571 1 8 . 1 1 32 32 GLU C C 32 176.920 176.920 175.803 1.117 18797 4572 1 8 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.919 -0.349 18797 4573 1 8 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.542 -1.772 18797 4574 1 8 . 1 1 32 32 GLU H H 32 9.120 9.120 8.554 0.566 18797 4575 1 8 . 1 1 33 33 ASP N N 33 121.920 121.920 120.958 0.962 18797 4576 1 8 . 1 1 33 33 ASP C C 33 176.990 176.990 176.580 0.410 18797 4577 1 8 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.687 2.183 18797 4578 1 8 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.893 -1.623 18797 4579 1 8 . 1 1 33 33 ASP H H 33 8.600 8.600 8.357 0.243 18797 4580 1 8 . 1 1 34 34 ASN N N 34 115.300 115.300 117.112 -1.812 18797 4581 1 8 . 1 1 34 34 ASN C C 34 174.280 174.280 176.735 -2.455 18797 4582 1 8 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.789 -2.429 18797 4583 1 8 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.826 -0.876 18797 4584 1 8 . 1 1 34 34 ASN H H 34 8.420 8.420 8.609 -0.189 18797 4585 1 8 . 1 1 35 35 SER N N 35 112.970 112.970 113.389 -0.419 18797 4586 1 8 . 1 1 35 35 SER CA C 35 54.260 54.260 59.085 -4.825 18797 4587 1 8 . 1 1 35 35 SER CB C 35 64.920 64.920 62.907 2.013 18797 4588 1 8 . 1 1 35 35 SER H H 35 7.270 7.270 8.036 -0.766 18797 4589 1 8 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.083 1.278 18797 4590 1 8 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.693 -1.223 18797 4591 1 8 . 1 1 37 37 LEU N N 37 123.000 123.000 122.172 0.828 18797 4592 1 8 . 1 1 37 37 LEU C C 37 176.300 176.300 177.384 -1.084 18797 4593 1 8 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.313 -0.473 18797 4594 1 8 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.636 1.054 18797 4595 1 8 . 1 1 37 37 LEU H H 37 7.910 7.910 8.315 -0.405 18797 4596 1 8 . 1 1 38 38 GLY N N 38 117.320 117.320 108.145 9.175 18797 4597 1 8 . 1 1 38 38 GLY C C 38 172.340 172.340 173.278 -0.938 18797 4598 1 8 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.416 0.014 18797 4599 1 8 . 1 1 38 38 GLY H H 38 9.110 9.110 7.990 1.120 18797 4600 1 8 . 1 1 39 39 VAL N N 39 116.550 116.550 125.618 -9.068 18797 4601 1 8 . 1 1 39 39 VAL C C 39 171.720 171.720 175.530 -3.810 18797 4602 1 8 . 1 1 39 39 VAL CA C 39 59.000 59.000 62.334 -3.334 18797 4603 1 8 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.981 2.629 18797 4604 1 8 . 1 1 39 39 VAL H H 39 7.980 7.980 8.072 -0.092 18797 4605 1 8 . 1 1 40 40 ILE N N 40 125.640 125.640 121.730 3.910 18797 4606 1 8 . 1 1 40 40 ILE C C 40 171.600 171.600 174.234 -2.634 18797 4607 1 8 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.028 0.513 18797 4608 1 8 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.794 2.336 18797 4609 1 8 . 1 1 40 40 ILE H H 40 9.160 9.160 8.224 0.936 18797 4610 1 8 . 1 1 41 41 GLY N N 41 111.830 111.830 109.714 2.116 18797 4611 1 8 . 1 1 41 41 GLY C C 41 172.000 172.000 171.463 0.537 18797 4612 1 8 . 1 1 41 41 GLY CA C 41 43.150 43.150 43.658 -0.508 18797 4613 1 8 . 1 1 41 41 GLY H H 41 8.930 8.930 7.423 1.507 18797 4614 1 8 . 1 1 42 42 SER N N 42 116.940 116.940 117.091 -0.151 18797 4615 1 8 . 1 1 42 42 SER C C 42 172.100 172.100 172.546 -0.446 18797 4616 1 8 . 1 1 42 42 SER CA C 42 56.220 56.220 55.927 0.293 18797 4617 1 8 . 1 1 42 42 SER CB C 42 62.920 62.920 65.495 -2.575 18797 4618 1 8 . 1 1 42 42 SER H H 42 9.190 9.190 8.248 0.942 18797 4619 1 8 . 1 1 43 43 PHE N N 43 129.230 129.230 124.285 4.945 18797 4620 1 8 . 1 1 43 43 PHE C C 43 172.920 172.920 175.456 -2.536 18797 4621 1 8 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.241 -0.281 18797 4622 1 8 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.097 0.333 18797 4623 1 8 . 1 1 43 43 PHE H H 43 9.300 9.300 8.739 0.561 18797 4624 1 8 . 1 1 44 44 THR N N 44 126.530 126.530 119.570 6.960 18797 4625 1 8 . 1 1 44 44 THR C C 44 171.340 171.340 172.979 -1.639 18797 4626 1 8 . 1 1 44 44 THR CA C 44 60.410 60.410 61.128 -0.718 18797 4627 1 8 . 1 1 44 44 THR CB C 44 70.220 70.220 71.391 -1.171 18797 4628 1 8 . 1 1 44 44 THR H H 44 8.820 8.820 8.474 0.346 18797 4629 1 8 . 1 1 45 45 TYR N N 45 125.840 125.840 128.253 -2.413 18797 4630 1 8 . 1 1 45 45 TYR C C 45 174.000 174.000 173.960 0.040 18797 4631 1 8 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.105 -0.436 18797 4632 1 8 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.461 -1.461 18797 4633 1 8 . 1 1 45 45 TYR H H 45 8.210 8.210 8.696 -0.486 18797 4634 1 8 . 1 1 46 46 THR N N 46 117.670 117.670 123.956 -6.286 18797 4635 1 8 . 1 1 46 46 THR C C 46 171.910 171.910 172.970 -1.060 18797 4636 1 8 . 1 1 46 46 THR CA C 46 58.720 58.720 60.893 -2.173 18797 4637 1 8 . 1 1 46 46 THR CB C 46 71.710 71.710 70.981 0.729 18797 4638 1 8 . 1 1 46 46 THR H H 46 8.550 8.550 7.895 0.655 18797 4639 1 8 . 1 1 47 47 GLU N N 47 112.160 112.160 124.252 -12.092 18797 4640 1 8 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.165 -0.585 18797 4641 1 8 . 1 1 47 47 GLU CB C 47 32.670 32.670 33.470 -0.800 18797 4642 1 8 . 1 1 47 47 GLU H H 47 8.170 8.170 8.972 -0.802 18797 4643 1 8 . 1 1 49 49 SER CA C 49 58.210 58.210 56.715 1.495 18797 4644 1 8 . 1 1 49 49 SER CB C 49 64.070 64.070 64.836 -0.766 18797 4645 1 8 . 1 1 49 49 SER H H 49 174.130 174.130 8.638 165.492 18797 4646 1 8 . 1 1 50 50 ARG N N 50 124.000 124.000 125.455 -1.455 18797 4647 1 8 . 1 1 50 50 ARG C C 50 176.270 176.270 176.800 -0.530 18797 4648 1 8 . 1 1 50 50 ARG CA C 50 55.960 55.960 58.145 -2.185 18797 4649 1 8 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.969 0.011 18797 4650 1 8 . 1 1 50 50 ARG H H 50 8.600 8.600 8.632 -0.032 18797 4651 1 8 . 1 1 51 51 THR N N 51 115.720 115.720 107.719 8.001 18797 4652 1 8 . 1 1 51 51 THR C C 51 174.400 174.400 172.543 1.857 18797 4653 1 8 . 1 1 51 51 THR CA C 51 61.820 61.820 59.830 1.990 18797 4654 1 8 . 1 1 51 51 THR H H 51 8.240 8.240 7.815 0.425 18797 4655 1 8 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.396 -0.396 18797 4656 1 8 . 1 1 52 52 ALA CB C 52 18.800 18.800 17.089 1.711 18797 4657 1 8 . 1 1 52 52 ALA H H 52 175.230 175.230 8.518 166.712 18797 4658 1 8 . 1 1 53 53 SER N N 53 113.990 113.990 118.156 -4.166 18797 4659 1 8 . 1 1 53 53 SER C C 53 175.360 175.360 174.841 0.519 18797 4660 1 8 . 1 1 53 53 SER CA C 53 58.350 58.350 57.903 0.447 18797 4661 1 8 . 1 1 53 53 SER CB C 53 62.930 62.930 64.060 -1.130 18797 4662 1 8 . 1 1 53 53 SER H H 53 8.000 8.000 7.864 0.136 18797 4663 1 8 . 1 1 54 54 SER N N 54 113.510 113.510 121.346 -7.836 18797 4664 1 8 . 1 1 54 54 SER C C 54 173.880 173.880 175.244 -1.364 18797 4665 1 8 . 1 1 54 54 SER CA C 54 58.500 58.500 60.309 -1.809 18797 4666 1 8 . 1 1 54 54 SER CB C 54 62.960 62.960 63.270 -0.310 18797 4667 1 8 . 1 1 54 54 SER H H 54 8.050 8.050 8.750 -0.700 18797 4668 1 8 . 1 1 55 55 GLY N N 55 112.640 112.640 108.233 4.407 18797 4669 1 8 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.822 -0.622 18797 4670 1 8 . 1 1 55 55 GLY H H 55 8.140 8.140 7.782 0.358 18797 4671 1 8 . 1 1 56 56 ASP CA C 56 54.100 54.100 54.207 -0.107 18797 4672 1 8 . 1 1 56 56 ASP CB C 56 41.000 41.000 41.041 -0.041 18797 4673 1 8 . 1 1 56 56 ASP H H 56 175.600 175.600 7.212 168.388 18797 4674 1 8 . 1 1 57 57 TYR N N 57 121.140 121.140 123.852 -2.712 18797 4675 1 8 . 1 1 57 57 TYR CA C 57 57.280 57.280 57.285 -0.005 18797 4676 1 8 . 1 1 57 57 TYR CB C 57 38.400 38.400 41.116 -2.716 18797 4677 1 8 . 1 1 57 57 TYR H H 57 8.150 8.150 8.098 0.052 18797 4678 1 8 . 1 1 59 59 LYS CA C 59 55.410 55.410 57.977 -2.567 18797 4679 1 8 . 1 1 59 59 LYS CB C 59 34.220 34.220 32.667 1.553 18797 4680 1 8 . 1 1 60 60 ASN N N 60 122.740 122.740 118.153 4.587 18797 4681 1 8 . 1 1 60 60 ASN C C 60 175.260 175.260 173.937 1.323 18797 4682 1 8 . 1 1 60 60 ASN CA C 60 52.200 52.200 53.884 -1.684 18797 4683 1 8 . 1 1 60 60 ASN CB C 60 40.230 40.230 38.190 2.040 18797 4684 1 8 . 1 1 60 60 ASN H H 60 8.360 8.360 7.918 0.442 18797 4685 1 8 . 1 1 61 61 GLN N N 61 120.450 120.450 125.114 -4.664 18797 4686 1 8 . 1 1 61 61 GLN C C 61 172.500 172.500 173.446 -0.946 18797 4687 1 8 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.119 0.621 18797 4688 1 8 . 1 1 61 61 GLN CB C 61 34.840 34.840 32.353 2.487 18797 4689 1 8 . 1 1 61 61 GLN H H 61 8.530 8.530 7.309 1.221 18797 4690 1 8 . 1 1 62 62 TYR N N 62 123.620 123.620 123.928 -0.308 18797 4691 1 8 . 1 1 62 62 TYR C C 62 171.430 171.430 174.655 -3.225 18797 4692 1 8 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.585 1.255 18797 4693 1 8 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.609 -1.679 18797 4694 1 8 . 1 1 62 62 TYR H H 62 8.610 8.610 7.909 0.701 18797 4695 1 8 . 1 1 63 63 TYR N N 63 123.920 123.920 123.167 0.753 18797 4696 1 8 . 1 1 63 63 TYR C C 63 174.280 174.280 173.699 0.581 18797 4697 1 8 . 1 1 63 63 TYR CA C 63 54.580 54.580 56.026 -1.446 18797 4698 1 8 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.785 -1.465 18797 4699 1 8 . 1 1 63 63 TYR H H 63 8.400 8.400 8.239 0.161 18797 4700 1 8 . 1 1 64 64 GLY N N 64 107.510 107.510 113.104 -5.594 18797 4701 1 8 . 1 1 64 64 GLY C C 64 174.090 174.090 171.648 2.442 18797 4702 1 8 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.955 0.615 18797 4703 1 8 . 1 1 64 64 GLY H H 64 8.760 8.760 8.167 0.593 18797 4704 1 8 . 1 1 65 65 ILE N N 65 128.470 128.470 122.296 6.174 18797 4705 1 8 . 1 1 65 65 ILE C C 65 174.350 174.350 174.663 -0.313 18797 4706 1 8 . 1 1 65 65 ILE CA C 65 59.960 59.960 60.047 -0.087 18797 4707 1 8 . 1 1 65 65 ILE CB C 65 39.740 39.740 41.150 -1.410 18797 4708 1 8 . 1 1 65 65 ILE H H 65 8.900 8.900 8.306 0.594 18797 4709 1 8 . 1 1 66 66 THR N N 66 115.890 115.890 121.705 -5.815 18797 4710 1 8 . 1 1 66 66 THR C C 66 172.600 172.600 172.527 0.073 18797 4711 1 8 . 1 1 66 66 THR CA C 66 58.670 58.670 59.223 -0.553 18797 4712 1 8 . 1 1 66 66 THR CB C 66 73.100 73.100 70.735 2.365 18797 4713 1 8 . 1 1 66 66 THR H H 66 8.900 8.900 8.271 0.629 18797 4714 1 8 . 1 1 67 67 ALA N N 67 119.730 119.730 125.886 -6.156 18797 4715 1 8 . 1 1 67 67 ALA C C 67 176.670 176.670 175.231 1.439 18797 4716 1 8 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.351 1.149 18797 4717 1 8 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.733 -0.673 18797 4718 1 8 . 1 1 67 67 ALA H H 67 9.370 9.370 8.443 0.927 18797 4719 1 8 . 1 1 68 68 GLY N N 68 104.240 104.240 105.963 -1.723 18797 4720 1 8 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.594 1.326 18797 4721 1 8 . 1 1 68 68 GLY H H 68 8.900 8.900 8.115 0.785 18797 4722 1 8 . 1 1 69 69 PRO CA C 69 61.040 61.040 60.993 0.047 18797 4723 1 8 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.744 -0.054 18797 4724 1 8 . 1 1 70 70 ALA N N 70 120.220 120.220 126.824 -6.604 18797 4725 1 8 . 1 1 70 70 ALA C C 70 175.590 175.590 176.121 -0.531 18797 4726 1 8 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.206 -1.716 18797 4727 1 8 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.378 0.602 18797 4728 1 8 . 1 1 70 70 ALA H H 70 7.870 7.870 8.386 -0.516 18797 4729 1 8 . 1 1 71 71 TYR N N 71 126.080 126.080 122.225 3.855 18797 4730 1 8 . 1 1 71 71 TYR C C 71 174.090 174.090 176.081 -1.991 18797 4731 1 8 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.141 -1.021 18797 4732 1 8 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.018 -0.098 18797 4733 1 8 . 1 1 71 71 TYR H H 71 9.780 9.780 8.962 0.818 18797 4734 1 8 . 1 1 72 72 ARG N N 72 131.410 131.410 121.073 10.337 18797 4735 1 8 . 1 1 72 72 ARG C C 72 174.160 174.160 176.053 -1.893 18797 4736 1 8 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.295 0.725 18797 4737 1 8 . 1 1 72 72 ARG CB C 72 29.620 29.620 31.209 -1.589 18797 4738 1 8 . 1 1 72 72 ARG H H 72 8.770 8.770 8.738 0.032 18797 4739 1 8 . 1 1 73 73 ILE N N 73 129.550 129.550 123.430 6.120 18797 4740 1 8 . 1 1 73 73 ILE C C 73 175.730 175.730 175.735 -0.005 18797 4741 1 8 . 1 1 73 73 ILE CA C 73 62.950 62.950 61.734 1.216 18797 4742 1 8 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.067 -0.557 18797 4743 1 8 . 1 1 73 73 ILE H H 73 8.400 8.400 8.490 -0.090 18797 4744 1 8 . 1 1 74 74 ASN N N 74 114.870 114.870 125.695 -10.825 18797 4745 1 8 . 1 1 74 74 ASN C C 74 174.860 174.860 174.058 0.802 18797 4746 1 8 . 1 1 74 74 ASN CA C 74 51.830 51.830 53.984 -2.154 18797 4747 1 8 . 1 1 74 74 ASN CB C 74 36.840 36.840 39.204 -2.364 18797 4748 1 8 . 1 1 74 74 ASN H H 74 7.920 7.920 8.947 -1.027 18797 4749 1 8 . 1 1 75 75 ASP N N 75 113.980 113.980 117.975 -3.995 18797 4750 1 8 . 1 1 75 75 ASP C C 75 175.820 175.820 175.476 0.344 18797 4751 1 8 . 1 1 75 75 ASP CA C 75 56.920 56.920 54.299 2.621 18797 4752 1 8 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.229 -0.999 18797 4753 1 8 . 1 1 75 75 ASP H H 75 8.320 8.320 7.779 0.541 18797 4754 1 8 . 1 1 76 76 TRP N N 76 113.600 113.600 123.496 -9.896 18797 4755 1 8 . 1 1 76 76 TRP C C 76 176.310 176.310 174.501 1.809 18797 4756 1 8 . 1 1 76 76 TRP CA C 76 55.410 55.410 58.822 -3.412 18797 4757 1 8 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.590 2.570 18797 4758 1 8 . 1 1 76 76 TRP H H 76 7.970 7.970 8.478 -0.508 18797 4759 1 8 . 1 1 77 77 ALA N N 77 125.520 125.520 120.001 5.519 18797 4760 1 8 . 1 1 77 77 ALA C C 77 175.620 175.620 176.633 -1.013 18797 4761 1 8 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.701 0.369 18797 4762 1 8 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.434 1.706 18797 4763 1 8 . 1 1 77 77 ALA H H 77 7.740 7.740 7.919 -0.179 18797 4764 1 8 . 1 1 78 78 SER N N 78 114.140 114.140 116.107 -1.967 18797 4765 1 8 . 1 1 78 78 SER C C 78 170.060 170.060 173.233 -3.173 18797 4766 1 8 . 1 1 78 78 SER CA C 78 57.250 57.250 59.648 -2.398 18797 4767 1 8 . 1 1 78 78 SER CB C 78 65.320 65.320 64.283 1.037 18797 4768 1 8 . 1 1 78 78 SER H H 78 8.100 8.100 7.681 0.419 18797 4769 1 8 . 1 1 79 79 ILE N N 79 120.650 120.650 124.131 -3.481 18797 4770 1 8 . 1 1 79 79 ILE C C 79 172.470 172.470 173.557 -1.087 18797 4771 1 8 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.562 -2.112 18797 4772 1 8 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.880 0.220 18797 4773 1 8 . 1 1 79 79 ILE H H 79 8.960 8.960 7.860 1.100 18797 4774 1 8 . 1 1 80 80 TYR N N 80 120.580 120.580 125.513 -4.933 18797 4775 1 8 . 1 1 80 80 TYR C C 80 173.000 173.000 173.511 -0.511 18797 4776 1 8 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.409 0.571 18797 4777 1 8 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.540 -0.510 18797 4778 1 8 . 1 1 80 80 TYR H H 80 8.360 8.360 8.277 0.083 18797 4779 1 8 . 1 1 81 81 GLY N N 81 106.140 106.140 108.067 -1.927 18797 4780 1 8 . 1 1 81 81 GLY C C 81 170.920 170.920 172.534 -1.614 18797 4781 1 8 . 1 1 81 81 GLY CA C 81 44.000 44.000 44.145 -0.145 18797 4782 1 8 . 1 1 81 81 GLY H H 81 8.050 8.050 8.372 -0.322 18797 4783 1 8 . 1 1 82 82 VAL N N 82 111.380 111.380 118.889 -7.509 18797 4784 1 8 . 1 1 82 82 VAL C C 82 174.370 174.370 173.846 0.524 18797 4785 1 8 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.241 -1.061 18797 4786 1 8 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.747 -0.307 18797 4787 1 8 . 1 1 82 82 VAL H H 82 8.490 8.490 8.640 -0.150 18797 4788 1 8 . 1 1 83 83 VAL N N 83 113.660 113.660 116.430 -2.770 18797 4789 1 8 . 1 1 83 83 VAL C C 83 174.680 174.680 174.728 -0.048 18797 4790 1 8 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.332 -0.242 18797 4791 1 8 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.817 1.203 18797 4792 1 8 . 1 1 83 83 VAL H H 83 8.970 8.970 8.405 0.565 18797 4793 1 8 . 1 1 84 84 GLY N N 84 108.310 108.310 111.410 -3.100 18797 4794 1 8 . 1 1 84 84 GLY C C 84 171.440 171.440 171.556 -0.116 18797 4795 1 8 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.544 2.227 18797 4796 1 8 . 1 1 84 84 GLY H H 84 8.480 8.480 8.977 -0.497 18797 4797 1 8 . 1 1 85 85 VAL N N 85 122.520 122.520 120.662 1.858 18797 4798 1 8 . 1 1 85 85 VAL C C 85 172.560 172.560 174.347 -1.787 18797 4799 1 8 . 1 1 85 85 VAL CA C 85 59.170 59.170 58.832 0.338 18797 4800 1 8 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.980 0.830 18797 4801 1 8 . 1 1 85 85 VAL H H 85 8.920 8.920 8.170 0.750 18797 4802 1 8 . 1 1 86 86 GLY N N 86 113.360 113.360 116.653 -3.293 18797 4803 1 8 . 1 1 86 86 GLY C C 86 172.210 172.210 172.003 0.207 18797 4804 1 8 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.894 -0.614 18797 4805 1 8 . 1 1 86 86 GLY H H 86 8.880 8.880 8.681 0.199 18797 4806 1 8 . 1 1 87 87 TYR N N 87 123.830 123.830 119.999 3.831 18797 4807 1 8 . 1 1 87 87 TYR C C 87 174.030 174.030 174.067 -0.037 18797 4808 1 8 . 1 1 87 87 TYR CA C 87 55.930 55.930 54.879 1.052 18797 4809 1 8 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.356 0.673 18797 4810 1 8 . 1 1 87 87 TYR H H 87 9.310 9.310 8.603 0.707 18797 4811 1 8 . 1 1 88 88 GLY N N 88 112.300 112.300 107.793 4.507 18797 4812 1 8 . 1 1 88 88 GLY C C 88 170.620 170.620 172.050 -1.430 18797 4813 1 8 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.038 1.363 18797 4814 1 8 . 1 1 88 88 GLY H H 88 8.000 8.000 8.432 -0.432 18797 4815 1 8 . 1 1 89 89 LYS N N 89 122.410 122.410 122.664 -0.254 18797 4816 1 8 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.570 -0.090 18797 4817 1 8 . 1 1 89 89 LYS H H 89 8.230 8.230 8.009 0.221 18797 4818 1 8 . 1 1 90 90 PHE C C 90 175.190 175.190 174.577 0.613 18797 4819 1 8 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.962 -1.932 18797 4820 1 8 . 1 1 90 90 PHE CB C 90 40.510 40.510 42.164 -1.654 18797 4821 1 8 . 1 1 91 91 GLN N N 91 122.380 122.380 120.797 1.583 18797 4822 1 8 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.638 0.692 18797 4823 1 8 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.489 -1.789 18797 4824 1 8 . 1 1 91 91 GLN H H 91 8.370 8.370 8.431 -0.061 18797 4825 1 8 . 1 1 94 94 GLU N N 94 175.780 175.780 122.701 53.079 18797 4826 1 8 . 1 1 94 94 GLU CA C 94 57.030 57.030 57.929 -0.899 18797 4827 1 8 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.033 0.427 18797 4828 1 8 . 1 1 95 95 TYR N N 95 120.240 120.240 118.743 1.497 18797 4829 1 8 . 1 1 95 95 TYR CA C 95 55.290 55.290 54.824 0.466 18797 4830 1 8 . 1 1 95 95 TYR CB C 95 37.730 37.730 39.675 -1.945 18797 4831 1 8 . 1 1 95 95 TYR H H 95 7.830 7.830 7.755 0.075 18797 4832 1 8 . 1 1 97 97 THR CA C 97 62.210 62.210 60.456 1.754 18797 4833 1 8 . 1 1 97 97 THR H H 97 174.320 174.320 7.790 166.530 18797 4834 1 8 . 1 1 98 98 TYR N N 98 122.540 122.540 119.931 2.609 18797 4835 1 8 . 1 1 98 98 TYR C C 98 175.000 175.000 175.371 -0.371 18797 4836 1 8 . 1 1 98 98 TYR CA C 98 57.530 57.530 60.160 -2.630 18797 4837 1 8 . 1 1 98 98 TYR CB C 98 38.350 38.350 37.679 0.670 18797 4838 1 8 . 1 1 98 98 TYR H H 98 8.040 8.040 8.275 -0.235 18797 4839 1 8 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.034 0.986 18797 4840 1 8 . 1 1 101 101 ASP CB C 101 39.700 39.700 42.801 -3.101 18797 4841 1 8 . 1 1 101 101 ASP H H 101 176.040 176.040 7.867 168.173 18797 4842 1 8 . 1 1 102 102 THR N N 102 117.650 117.650 117.933 -0.283 18797 4843 1 8 . 1 1 102 102 THR C C 102 173.840 173.840 173.186 0.654 18797 4844 1 8 . 1 1 102 102 THR CA C 102 61.590 61.590 61.642 -0.051 18797 4845 1 8 . 1 1 102 102 THR CB C 102 69.970 69.970 70.579 -0.609 18797 4846 1 8 . 1 1 102 102 THR H H 102 8.520 8.520 8.598 -0.078 18797 4847 1 8 . 1 1 103 103 SER N N 103 119.470 119.470 118.909 0.561 18797 4848 1 8 . 1 1 103 103 SER C C 103 173.580 173.580 172.528 1.052 18797 4849 1 8 . 1 1 103 103 SER CA C 103 57.310 57.310 56.887 0.423 18797 4850 1 8 . 1 1 103 103 SER H H 103 8.240 8.240 8.447 -0.207 18797 4851 1 8 . 1 1 104 104 ASP N N 104 122.250 122.250 120.772 1.478 18797 4852 1 8 . 1 1 104 104 ASP C C 104 173.100 173.100 174.056 -0.956 18797 4853 1 8 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.141 -0.541 18797 4854 1 8 . 1 1 104 104 ASP CB C 104 44.060 44.060 43.623 0.437 18797 4855 1 8 . 1 1 104 104 ASP H H 104 8.270 8.270 8.270 -0.000 18797 4856 1 8 . 1 1 105 105 TYR N N 105 116.040 116.040 120.601 -4.561 18797 4857 1 8 . 1 1 105 105 TYR C C 105 175.860 175.860 176.128 -0.268 18797 4858 1 8 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.627 -1.077 18797 4859 1 8 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.452 0.178 18797 4860 1 8 . 1 1 105 105 TYR H H 105 8.560 8.560 8.532 0.028 18797 4861 1 8 . 1 1 106 106 GLY N N 106 108.500 108.500 107.656 0.844 18797 4862 1 8 . 1 1 106 106 GLY C C 106 172.030 172.030 171.769 0.261 18797 4863 1 8 . 1 1 106 106 GLY CA C 106 44.490 44.490 43.994 0.496 18797 4864 1 8 . 1 1 106 106 GLY H H 106 9.190 9.190 8.811 0.379 18797 4865 1 8 . 1 1 107 107 PHE N N 107 121.420 121.420 118.169 3.251 18797 4866 1 8 . 1 1 107 107 PHE C C 107 175.430 175.430 175.175 0.255 18797 4867 1 8 . 1 1 107 107 PHE CA C 107 57.540 57.540 57.122 0.418 18797 4868 1 8 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.614 -1.414 18797 4869 1 8 . 1 1 107 107 PHE H H 107 8.860 8.860 8.562 0.298 18797 4870 1 8 . 1 1 108 108 SER N N 108 123.250 123.250 118.232 5.018 18797 4871 1 8 . 1 1 108 108 SER C C 108 171.430 171.430 172.997 -1.567 18797 4872 1 8 . 1 1 108 108 SER CA C 108 56.100 56.100 56.070 0.030 18797 4873 1 8 . 1 1 108 108 SER CB C 108 65.720 65.720 65.688 0.032 18797 4874 1 8 . 1 1 108 108 SER H H 108 8.110 8.110 8.691 -0.581 18797 4875 1 8 . 1 1 109 109 TYR N N 109 117.840 117.840 122.744 -4.904 18797 4876 1 8 . 1 1 109 109 TYR C C 109 173.560 173.560 173.624 -0.064 18797 4877 1 8 . 1 1 109 109 TYR CA C 109 55.320 55.320 55.361 -0.041 18797 4878 1 8 . 1 1 109 109 TYR CB C 109 39.560 39.560 41.938 -2.378 18797 4879 1 8 . 1 1 109 109 TYR H H 109 8.480 8.480 8.068 0.412 18797 4880 1 8 . 1 1 110 110 GLY N N 110 106.400 106.400 107.067 -0.667 18797 4881 1 8 . 1 1 110 110 GLY C C 110 171.350 171.350 171.565 -0.215 18797 4882 1 8 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.641 1.519 18797 4883 1 8 . 1 1 110 110 GLY H H 110 8.980 8.980 8.599 0.381 18797 4884 1 8 . 1 1 111 111 ALA N N 111 119.140 119.140 120.439 -1.299 18797 4885 1 8 . 1 1 111 111 ALA C C 111 174.640 174.640 174.964 -0.324 18797 4886 1 8 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.497 0.473 18797 4887 1 8 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.833 -0.683 18797 4888 1 8 . 1 1 111 111 ALA H H 111 8.390 8.390 8.151 0.239 18797 4889 1 8 . 1 1 112 112 GLY N N 112 106.070 106.070 107.017 -0.947 18797 4890 1 8 . 1 1 112 112 GLY C C 112 169.770 169.770 171.296 -1.526 18797 4891 1 8 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.105 1.165 18797 4892 1 8 . 1 1 112 112 GLY H H 112 7.820 7.820 7.671 0.149 18797 4893 1 8 . 1 1 113 113 LEU N N 113 116.370 116.370 120.792 -4.422 18797 4894 1 8 . 1 1 113 113 LEU C C 113 175.090 175.090 174.835 0.255 18797 4895 1 8 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.003 -0.313 18797 4896 1 8 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.328 0.232 18797 4897 1 8 . 1 1 113 113 LEU H H 113 8.930 8.930 8.394 0.536 18797 4898 1 8 . 1 1 114 114 GLN N N 114 115.860 115.860 123.037 -7.177 18797 4899 1 8 . 1 1 114 114 GLN C C 114 176.910 176.910 173.915 2.995 18797 4900 1 8 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.329 -0.599 18797 4901 1 8 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.024 0.266 18797 4902 1 8 . 1 1 114 114 GLN H H 114 7.860 7.860 8.058 -0.198 18797 4903 1 8 . 1 1 115 115 PHE N N 115 126.580 126.580 121.378 5.202 18797 4904 1 8 . 1 1 115 115 PHE C C 115 175.740 175.740 172.543 3.197 18797 4905 1 8 . 1 1 115 115 PHE CA C 115 55.200 55.200 55.244 -0.044 18797 4906 1 8 . 1 1 115 115 PHE CB C 115 43.370 43.370 40.769 2.601 18797 4907 1 8 . 1 1 115 115 PHE H H 115 9.750 9.750 7.916 1.834 18797 4908 1 8 . 1 1 116 116 ASN N N 116 119.920 119.920 119.540 0.380 18797 4909 1 8 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.212 0.988 18797 4910 1 8 . 1 1 116 116 ASN CB C 116 40.650 40.650 39.878 0.772 18797 4911 1 8 . 1 1 116 116 ASN H H 116 9.450 9.450 8.288 1.162 18797 4912 1 8 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.645 2.055 18797 4913 1 8 . 1 1 118 118 MET N N 118 110.530 110.530 118.906 -8.376 18797 4914 1 8 . 1 1 118 118 MET C C 118 176.130 176.130 177.001 -0.871 18797 4915 1 8 . 1 1 118 118 MET CA C 118 53.980 53.980 57.009 -3.029 18797 4916 1 8 . 1 1 118 118 MET CB C 118 36.310 36.310 32.775 3.535 18797 4917 1 8 . 1 1 118 118 MET H H 118 7.310 7.310 8.242 -0.932 18797 4918 1 8 . 1 1 119 119 GLU N N 119 120.320 120.320 116.335 3.985 18797 4919 1 8 . 1 1 119 119 GLU C C 119 176.810 176.810 176.958 -0.148 18797 4920 1 8 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.312 2.288 18797 4921 1 8 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.030 0.120 18797 4922 1 8 . 1 1 119 119 GLU H H 119 9.120 9.120 8.921 0.199 18797 4923 1 8 . 1 1 120 120 ASN N N 120 112.490 112.490 117.621 -5.131 18797 4924 1 8 . 1 1 120 120 ASN C C 120 174.080 174.080 176.243 -2.163 18797 4925 1 8 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.329 -1.929 18797 4926 1 8 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.115 0.715 18797 4927 1 8 . 1 1 120 120 ASN H H 120 8.430 8.430 8.655 -0.225 18797 4928 1 8 . 1 1 121 121 VAL N N 121 117.760 117.760 118.418 -0.658 18797 4929 1 8 . 1 1 121 121 VAL C C 121 174.750 174.750 175.170 -0.420 18797 4930 1 8 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.604 -1.914 18797 4931 1 8 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.837 5.062 18797 4932 1 8 . 1 1 121 121 VAL H H 121 7.500 7.500 7.337 0.163 18797 4933 1 8 . 1 1 122 122 ALA N N 122 127.190 127.190 123.652 3.538 18797 4934 1 8 . 1 1 122 122 ALA C C 122 175.140 175.140 175.024 0.116 18797 4935 1 8 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.730 -1.341 18797 4936 1 8 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.706 1.113 18797 4937 1 8 . 1 1 122 122 ALA H H 122 8.230 8.230 7.257 0.973 18797 4938 1 8 . 1 1 123 123 LEU N N 123 120.270 120.270 123.355 -3.085 18797 4939 1 8 . 1 1 123 123 LEU C C 123 174.310 174.310 174.922 -0.612 18797 4940 1 8 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.639 0.021 18797 4941 1 8 . 1 1 123 123 LEU CB C 123 44.510 44.510 45.822 -1.312 18797 4942 1 8 . 1 1 123 123 LEU H H 123 8.910 8.910 7.586 1.324 18797 4943 1 8 . 1 1 124 124 ASP N N 124 127.350 127.350 118.457 8.893 18797 4944 1 8 . 1 1 124 124 ASP C C 124 171.830 171.830 174.257 -2.427 18797 4945 1 8 . 1 1 124 124 ASP CA C 124 53.820 53.820 51.797 2.023 18797 4946 1 8 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.209 3.281 18797 4947 1 8 . 1 1 124 124 ASP H H 124 8.580 8.580 8.063 0.517 18797 4948 1 8 . 1 1 125 125 PHE N N 125 123.390 123.390 118.273 5.117 18797 4949 1 8 . 1 1 125 125 PHE C C 125 174.130 174.130 174.895 -0.765 18797 4950 1 8 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.589 -0.929 18797 4951 1 8 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.140 -0.440 18797 4952 1 8 . 1 1 125 125 PHE H H 125 8.670 8.670 8.479 0.191 18797 4953 1 8 . 1 1 126 126 SER N N 126 118.680 118.680 115.852 2.828 18797 4954 1 8 . 1 1 126 126 SER C C 126 169.980 169.980 172.597 -2.617 18797 4955 1 8 . 1 1 126 126 SER CA C 126 58.120 58.120 57.465 0.655 18797 4956 1 8 . 1 1 126 126 SER CB C 126 66.950 66.950 66.719 0.230 18797 4957 1 8 . 1 1 126 126 SER H H 126 9.390 9.390 8.565 0.825 18797 4958 1 8 . 1 1 127 127 TYR N N 127 119.080 119.080 120.561 -1.481 18797 4959 1 8 . 1 1 127 127 TYR C C 127 174.390 174.390 175.440 -1.050 18797 4960 1 8 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.595 -1.155 18797 4961 1 8 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.449 1.651 18797 4962 1 8 . 1 1 127 127 TYR H H 127 8.610 8.610 8.662 -0.052 18797 4963 1 8 . 1 1 128 128 GLU N N 128 130.070 130.070 120.272 9.798 18797 4964 1 8 . 1 1 128 128 GLU C C 128 172.590 172.590 174.898 -2.308 18797 4965 1 8 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.406 -0.275 18797 4966 1 8 . 1 1 128 128 GLU CB C 128 33.500 33.500 34.044 -0.544 18797 4967 1 8 . 1 1 128 128 GLU H H 128 8.510 8.510 8.912 -0.402 18797 4968 1 8 . 1 1 129 129 GLN N N 129 128.670 128.670 121.916 6.754 18797 4969 1 8 . 1 1 129 129 GLN C C 129 173.690 173.690 174.080 -0.390 18797 4970 1 8 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.002 -0.791 18797 4971 1 8 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.235 -1.185 18797 4972 1 8 . 1 1 129 129 GLN H H 129 9.330 9.330 8.486 0.844 18797 4973 1 8 . 1 1 130 130 SER N N 130 118.630 118.630 119.937 -1.307 18797 4974 1 8 . 1 1 130 130 SER C C 130 174.210 174.210 173.977 0.233 18797 4975 1 8 . 1 1 130 130 SER CA C 130 56.450 56.450 56.266 0.184 18797 4976 1 8 . 1 1 130 130 SER CB C 130 66.260 66.260 65.657 0.603 18797 4977 1 8 . 1 1 130 130 SER H H 130 8.580 8.580 8.059 0.521 18797 4978 1 8 . 1 1 131 131 ARG N N 131 126.850 126.850 126.374 0.476 18797 4979 1 8 . 1 1 131 131 ARG C C 131 174.740 174.740 175.695 -0.955 18797 4980 1 8 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.206 0.134 18797 4981 1 8 . 1 1 131 131 ARG CB C 131 30.910 30.910 30.729 0.181 18797 4982 1 8 . 1 1 131 131 ARG H H 131 7.690 7.690 8.671 -0.981 18797 4983 1 8 . 1 1 132 132 ILE N N 132 129.470 129.470 124.780 4.690 18797 4984 1 8 . 1 1 132 132 ILE C C 132 175.500 175.500 176.011 -0.511 18797 4985 1 8 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.407 -2.517 18797 4986 1 8 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.733 0.588 18797 4987 1 8 . 1 1 132 132 ILE H H 132 8.730 8.730 8.736 -0.006 18797 4988 1 8 . 1 1 133 133 ARG N N 133 127.220 127.220 128.654 -1.434 18797 4989 1 8 . 1 1 133 133 ARG CA C 133 58.110 58.110 54.725 3.385 18797 4990 1 8 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.700 -3.380 18797 4991 1 8 . 1 1 133 133 ARG H H 133 9.400 9.400 8.331 1.069 18797 4992 1 8 . 1 1 134 134 SER C C 134 173.290 173.290 173.720 -0.430 18797 4993 1 8 . 1 1 134 134 SER CA C 134 58.490 58.490 60.138 -1.648 18797 4994 1 8 . 1 1 134 134 SER CB C 134 62.860 62.860 63.075 -0.215 18797 4995 1 8 . 1 1 135 135 VAL N N 135 124.810 124.810 115.892 8.918 18797 4996 1 8 . 1 1 135 135 VAL C C 135 174.650 174.650 174.215 0.435 18797 4997 1 8 . 1 1 135 135 VAL CA C 135 61.870 61.870 60.540 1.330 18797 4998 1 8 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.701 -2.641 18797 4999 1 8 . 1 1 135 135 VAL H H 135 8.270 8.270 7.238 1.032 18797 5000 1 8 . 1 1 136 136 ASP N N 136 127.750 127.750 124.962 2.788 18797 5001 1 8 . 1 1 136 136 ASP C C 136 175.130 175.130 175.772 -0.642 18797 5002 1 8 . 1 1 136 136 ASP CA C 136 54.220 54.220 53.059 1.161 18797 5003 1 8 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.510 -0.760 18797 5004 1 8 . 1 1 136 136 ASP H H 136 8.010 8.010 8.345 -0.335 18797 5005 1 8 . 1 1 137 137 VAL N N 137 124.520 124.520 123.326 1.194 18797 5006 1 8 . 1 1 137 137 VAL C C 137 174.690 174.690 174.898 -0.208 18797 5007 1 8 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.238 -0.788 18797 5008 1 8 . 1 1 137 137 VAL CB C 137 32.800 32.800 34.080 -1.280 18797 5009 1 8 . 1 1 137 137 VAL H H 137 8.720 8.720 7.834 0.886 18797 5010 1 8 . 1 1 138 138 GLY N N 138 116.920 116.920 114.419 2.501 18797 5011 1 8 . 1 1 138 138 GLY C C 138 172.930 172.930 172.834 0.096 18797 5012 1 8 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.374 0.106 18797 5013 1 8 . 1 1 138 138 GLY H H 138 8.240 8.240 8.765 -0.525 18797 5014 1 8 . 1 1 139 139 THR N N 139 125.070 125.070 121.977 3.093 18797 5015 1 8 . 1 1 139 139 THR C C 139 171.920 171.920 172.892 -0.972 18797 5016 1 8 . 1 1 139 139 THR CA C 139 60.890 60.890 61.479 -0.589 18797 5017 1 8 . 1 1 139 139 THR CB C 139 70.290 70.290 71.926 -1.636 18797 5018 1 8 . 1 1 139 139 THR H H 139 8.710 8.710 8.234 0.476 18797 5019 1 8 . 1 1 140 140 TRP N N 140 125.840 125.840 129.950 -4.110 18797 5020 1 8 . 1 1 140 140 TRP C C 140 175.070 175.070 174.103 0.967 18797 5021 1 8 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.568 -0.438 18797 5022 1 8 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.260 -0.160 18797 5023 1 8 . 1 1 140 140 TRP H H 140 8.330 8.330 8.747 -0.417 18797 5024 1 8 . 1 1 141 141 ILE N N 141 123.240 123.240 120.270 2.970 18797 5025 1 8 . 1 1 141 141 ILE C C 141 174.870 174.870 173.045 1.825 18797 5026 1 8 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.358 2.032 18797 5027 1 8 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.136 -1.506 18797 5028 1 8 . 1 1 141 141 ILE H H 141 8.980 8.980 8.280 0.700 18797 5029 1 8 . 1 1 142 142 ALA N N 142 127.680 127.680 124.607 3.073 18797 5030 1 8 . 1 1 142 142 ALA C C 142 175.700 175.700 175.525 0.175 18797 5031 1 8 . 1 1 142 142 ALA CA C 142 50.530 50.530 49.948 0.582 18797 5032 1 8 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.279 -0.069 18797 5033 1 8 . 1 1 142 142 ALA H H 142 8.350 8.350 7.995 0.355 18797 5034 1 8 . 1 1 143 143 GLY N N 143 109.030 109.030 108.783 0.247 18797 5035 1 8 . 1 1 143 143 GLY C C 143 172.090 172.090 171.514 0.576 18797 5036 1 8 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.129 1.302 18797 5037 1 8 . 1 1 143 143 GLY H H 143 9.520 9.520 7.934 1.586 18797 5038 1 8 . 1 1 144 144 VAL N N 144 114.110 114.110 116.283 -2.173 18797 5039 1 8 . 1 1 144 144 VAL C C 144 174.010 174.010 174.529 -0.519 18797 5040 1 8 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.323 -0.053 18797 5041 1 8 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.444 1.046 18797 5042 1 8 . 1 1 144 144 VAL H H 144 8.750 8.750 8.189 0.561 18797 5043 1 8 . 1 1 145 145 GLY N N 145 107.360 107.360 110.565 -3.205 18797 5044 1 8 . 1 1 145 145 GLY C C 145 171.210 171.210 171.759 -0.549 18797 5045 1 8 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.908 1.862 18797 5046 1 8 . 1 1 145 145 GLY H H 145 8.590 8.590 8.312 0.278 18797 5047 1 8 . 1 1 146 146 TYR N N 146 121.960 121.960 115.188 6.772 18797 5048 1 8 . 1 1 146 146 TYR C C 146 172.440 172.440 173.583 -1.143 18797 5049 1 8 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.255 -0.005 18797 5050 1 8 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.677 2.593 18797 5051 1 8 . 1 1 146 146 TYR H H 146 8.370 8.370 7.687 0.683 18797 5052 1 8 . 1 1 147 147 ARG N N 147 129.590 129.590 121.503 8.087 18797 5053 1 8 . 1 1 147 147 ARG C C 147 173.850 173.850 176.233 -2.383 18797 5054 1 8 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.781 -1.421 18797 5055 1 8 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.339 -0.919 18797 5056 1 8 . 1 1 147 147 ARG H H 147 7.690 7.690 8.401 -0.711 18797 5057 1 9 . 1 1 2 2 THR N N 2 114.280 114.280 108.995 5.285 18797 5058 1 9 . 1 1 2 2 THR C C 2 173.570 173.570 174.171 -0.601 18797 5059 1 9 . 1 1 2 2 THR CA C 2 61.040 61.040 62.876 -1.836 18797 5060 1 9 . 1 1 2 2 THR CB C 2 71.930 71.930 70.782 1.148 18797 5061 1 9 . 1 1 2 2 THR H H 2 8.490 8.490 8.049 0.441 18797 5062 1 9 . 1 1 3 3 SER N N 3 122.430 122.430 115.972 6.458 18797 5063 1 9 . 1 1 3 3 SER C C 3 172.590 172.590 172.544 0.046 18797 5064 1 9 . 1 1 3 3 SER CA C 3 56.760 56.760 57.474 -0.714 18797 5065 1 9 . 1 1 3 3 SER CB C 3 65.480 65.480 64.239 1.241 18797 5066 1 9 . 1 1 3 3 SER H H 3 9.000 9.000 7.632 1.368 18797 5067 1 9 . 1 1 4 4 THR N N 4 117.240 117.240 122.369 -5.129 18797 5068 1 9 . 1 1 4 4 THR C C 4 174.640 174.640 172.565 2.075 18797 5069 1 9 . 1 1 4 4 THR CA C 4 61.390 61.390 61.373 0.017 18797 5070 1 9 . 1 1 4 4 THR CB C 4 70.680 70.680 71.976 -1.296 18797 5071 1 9 . 1 1 4 4 THR H H 4 8.610 8.610 8.330 0.280 18797 5072 1 9 . 1 1 5 5 VAL N N 5 129.440 129.440 126.158 3.282 18797 5073 1 9 . 1 1 5 5 VAL C C 5 174.770 174.770 173.718 1.052 18797 5074 1 9 . 1 1 5 5 VAL CA C 5 59.760 59.760 59.307 0.453 18797 5075 1 9 . 1 1 5 5 VAL CB C 5 33.490 33.490 34.767 -1.278 18797 5076 1 9 . 1 1 5 5 VAL H H 5 8.750 8.750 8.282 0.468 18797 5077 1 9 . 1 1 6 6 THR N N 6 116.430 116.430 119.339 -2.909 18797 5078 1 9 . 1 1 6 6 THR C C 6 172.930 172.930 173.408 -0.478 18797 5079 1 9 . 1 1 6 6 THR CA C 6 58.590 58.590 59.592 -1.002 18797 5080 1 9 . 1 1 6 6 THR CB C 6 70.930 70.930 71.593 -0.663 18797 5081 1 9 . 1 1 6 6 THR H H 6 8.890 8.890 7.944 0.946 18797 5082 1 9 . 1 1 7 7 GLY N N 7 105.590 105.590 109.400 -3.810 18797 5083 1 9 . 1 1 7 7 GLY C C 7 172.430 172.430 172.091 0.339 18797 5084 1 9 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.330 0.990 18797 5085 1 9 . 1 1 7 7 GLY H H 7 8.760 8.760 8.373 0.387 18797 5086 1 9 . 1 1 8 8 GLY N N 8 106.530 106.530 109.148 -2.618 18797 5087 1 9 . 1 1 8 8 GLY C C 8 173.030 173.030 171.738 1.292 18797 5088 1 9 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.377 1.553 18797 5089 1 9 . 1 1 8 8 GLY H H 8 9.100 9.100 7.535 1.565 18797 5090 1 9 . 1 1 9 9 TYR N N 9 121.730 121.730 118.651 3.079 18797 5091 1 9 . 1 1 9 9 TYR C C 9 172.390 172.390 174.421 -2.031 18797 5092 1 9 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.482 0.358 18797 5093 1 9 . 1 1 9 9 TYR CB C 9 41.080 41.080 41.956 -0.876 18797 5094 1 9 . 1 1 9 9 TYR H H 9 8.410 8.410 8.171 0.239 18797 5095 1 9 . 1 1 10 10 ALA N N 10 128.460 128.460 124.073 4.387 18797 5096 1 9 . 1 1 10 10 ALA C C 10 174.020 174.020 176.260 -2.240 18797 5097 1 9 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.434 -1.224 18797 5098 1 9 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.331 -0.111 18797 5099 1 9 . 1 1 10 10 ALA H H 10 6.910 6.910 9.144 -2.234 18797 5100 1 9 . 1 1 11 11 GLN N N 11 118.830 118.830 121.728 -2.898 18797 5101 1 9 . 1 1 11 11 GLN C C 11 175.650 175.650 175.173 0.477 18797 5102 1 9 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.832 -0.002 18797 5103 1 9 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.552 -0.492 18797 5104 1 9 . 1 1 11 11 GLN H H 11 8.100 8.100 8.362 -0.262 18797 5105 1 9 . 1 1 12 12 SER N N 12 124.200 124.200 118.444 5.756 18797 5106 1 9 . 1 1 12 12 SER C C 12 172.710 172.710 173.498 -0.788 18797 5107 1 9 . 1 1 12 12 SER CA C 12 57.190 57.190 56.446 0.744 18797 5108 1 9 . 1 1 12 12 SER CB C 12 64.180 64.180 65.419 -1.239 18797 5109 1 9 . 1 1 12 12 SER H H 12 9.160 9.160 8.611 0.549 18797 5110 1 9 . 1 1 13 13 ASP N N 13 124.950 124.950 127.872 -2.922 18797 5111 1 9 . 1 1 13 13 ASP C C 13 174.860 174.860 174.764 0.096 18797 5112 1 9 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.035 -0.075 18797 5113 1 9 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.897 0.023 18797 5114 1 9 . 1 1 13 13 ASP H H 13 9.070 9.070 8.262 0.808 18797 5115 1 9 . 1 1 14 14 ALA N N 14 128.730 128.730 128.175 0.555 18797 5116 1 9 . 1 1 14 14 ALA C C 14 176.230 176.230 177.101 -0.871 18797 5117 1 9 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.322 -1.512 18797 5118 1 9 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.765 -1.265 18797 5119 1 9 . 1 1 14 14 ALA H H 14 8.560 8.560 8.305 0.255 18797 5120 1 9 . 1 1 15 15 GLN N N 15 122.750 122.750 121.647 1.103 18797 5121 1 9 . 1 1 15 15 GLN C C 15 176.660 176.660 176.525 0.135 18797 5122 1 9 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.665 2.455 18797 5123 1 9 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.174 -2.014 18797 5124 1 9 . 1 1 15 15 GLN H H 15 8.340 8.340 8.606 -0.266 18797 5125 1 9 . 1 1 16 16 GLY N N 16 112.800 112.800 109.223 3.577 18797 5126 1 9 . 1 1 16 16 GLY C C 16 174.400 174.400 173.789 0.611 18797 5127 1 9 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.944 -0.763 18797 5128 1 9 . 1 1 16 16 GLY H H 16 8.650 8.650 8.655 -0.005 18797 5129 1 9 . 1 1 17 17 GLN N N 17 119.300 119.300 123.638 -4.338 18797 5130 1 9 . 1 1 17 17 GLN C C 17 175.720 175.720 175.023 0.697 18797 5131 1 9 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.101 -1.501 18797 5132 1 9 . 1 1 17 17 GLN CB C 17 32.800 32.800 29.354 3.446 18797 5133 1 9 . 1 1 17 17 GLN H H 17 8.080 8.080 8.401 -0.321 18797 5134 1 9 . 1 1 18 18 MET N N 18 120.170 120.170 118.474 1.696 18797 5135 1 9 . 1 1 18 18 MET C C 18 175.400 175.400 174.635 0.765 18797 5136 1 9 . 1 1 18 18 MET CA C 18 55.980 55.980 54.761 1.219 18797 5137 1 9 . 1 1 18 18 MET CB C 18 35.590 35.590 35.522 0.068 18797 5138 1 9 . 1 1 18 18 MET H H 18 8.370 8.370 7.595 0.775 18797 5139 1 9 . 1 1 19 19 ASN N N 19 117.900 117.900 119.511 -1.611 18797 5140 1 9 . 1 1 19 19 ASN C C 19 174.400 174.400 174.833 -0.433 18797 5141 1 9 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.444 -0.144 18797 5142 1 9 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.665 -0.265 18797 5143 1 9 . 1 1 19 19 ASN H H 19 7.990 7.990 8.642 -0.652 18797 5144 1 9 . 1 1 20 20 LYS N N 20 120.800 120.800 119.508 1.292 18797 5145 1 9 . 1 1 20 20 LYS C C 20 176.410 176.410 176.505 -0.095 18797 5146 1 9 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.582 -1.882 18797 5147 1 9 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.288 -1.388 18797 5148 1 9 . 1 1 20 20 LYS H H 20 8.340 8.340 8.295 0.045 18797 5149 1 9 . 1 1 21 21 MET N N 21 120.500 120.500 117.285 3.215 18797 5150 1 9 . 1 1 21 21 MET C C 21 175.270 175.270 175.252 0.018 18797 5151 1 9 . 1 1 21 21 MET CA C 21 54.800 54.800 54.611 0.189 18797 5152 1 9 . 1 1 21 21 MET CB C 21 34.730 34.730 37.642 -2.912 18797 5153 1 9 . 1 1 21 21 MET H H 21 8.580 8.580 7.864 0.716 18797 5154 1 9 . 1 1 22 22 GLY N N 22 111.280 111.280 107.562 3.718 18797 5155 1 9 . 1 1 22 22 GLY C C 22 174.030 174.030 172.418 1.612 18797 5156 1 9 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.914 -0.104 18797 5157 1 9 . 1 1 22 22 GLY H H 22 8.430 8.430 8.361 0.069 18797 5158 1 9 . 1 1 23 23 GLY N N 23 120.170 120.170 108.941 11.229 18797 5159 1 9 . 1 1 23 23 GLY C C 23 171.850 171.850 171.819 0.031 18797 5160 1 9 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.161 1.989 18797 5161 1 9 . 1 1 23 23 GLY H H 23 8.180 8.180 8.355 -0.175 18797 5162 1 9 . 1 1 24 24 PHE N N 24 121.370 121.370 123.827 -2.457 18797 5163 1 9 . 1 1 24 24 PHE C C 24 171.570 171.570 173.613 -2.043 18797 5164 1 9 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.296 -1.566 18797 5165 1 9 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.854 0.656 18797 5166 1 9 . 1 1 24 24 PHE H H 24 9.230 9.230 8.685 0.545 18797 5167 1 9 . 1 1 25 25 ASN N N 25 118.950 118.950 125.918 -6.968 18797 5168 1 9 . 1 1 25 25 ASN C C 25 172.080 172.080 172.974 -0.894 18797 5169 1 9 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.647 -0.777 18797 5170 1 9 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.197 4.253 18797 5171 1 9 . 1 1 25 25 ASN H H 25 8.520 8.520 7.691 0.829 18797 5172 1 9 . 1 1 26 26 LEU N N 26 126.150 126.150 126.169 -0.019 18797 5173 1 9 . 1 1 26 26 LEU C C 26 175.620 175.620 174.351 1.269 18797 5174 1 9 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.580 -0.090 18797 5175 1 9 . 1 1 26 26 LEU CB C 26 46.630 46.630 46.003 0.627 18797 5176 1 9 . 1 1 26 26 LEU H H 26 9.340 9.340 8.371 0.969 18797 5177 1 9 . 1 1 27 27 LYS N N 27 117.980 117.980 123.455 -5.475 18797 5178 1 9 . 1 1 27 27 LYS C C 27 175.120 175.120 175.354 -0.234 18797 5179 1 9 . 1 1 27 27 LYS CA C 27 55.190 55.190 53.972 1.218 18797 5180 1 9 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.508 0.062 18797 5181 1 9 . 1 1 27 27 LYS H H 27 8.850 8.850 8.215 0.635 18797 5182 1 9 . 1 1 28 28 TYR N N 28 120.820 120.820 120.698 0.122 18797 5183 1 9 . 1 1 28 28 TYR C C 28 172.480 172.480 175.065 -2.585 18797 5184 1 9 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.550 -0.270 18797 5185 1 9 . 1 1 28 28 TYR CB C 28 41.900 41.900 41.466 0.434 18797 5186 1 9 . 1 1 28 28 TYR H H 28 8.430 8.430 8.524 -0.094 18797 5187 1 9 . 1 1 29 29 ARG N N 29 129.660 129.660 120.131 9.529 18797 5188 1 9 . 1 1 29 29 ARG C C 29 172.780 172.780 174.629 -1.849 18797 5189 1 9 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.146 -1.146 18797 5190 1 9 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.932 -0.922 18797 5191 1 9 . 1 1 29 29 ARG H H 29 8.670 8.670 8.476 0.194 18797 5192 1 9 . 1 1 30 30 TYR N N 30 127.210 127.210 121.152 6.058 18797 5193 1 9 . 1 1 30 30 TYR C C 30 175.000 175.000 175.156 -0.156 18797 5194 1 9 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.643 0.187 18797 5195 1 9 . 1 1 30 30 TYR CB C 30 42.140 42.140 41.060 1.080 18797 5196 1 9 . 1 1 30 30 TYR H H 30 8.930 8.930 8.218 0.712 18797 5197 1 9 . 1 1 31 31 GLU N N 31 128.090 128.090 123.653 4.437 18797 5198 1 9 . 1 1 31 31 GLU C C 31 174.250 174.250 175.870 -1.620 18797 5199 1 9 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.898 -1.268 18797 5200 1 9 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.681 1.809 18797 5201 1 9 . 1 1 31 31 GLU H H 31 8.170 8.170 8.653 -0.483 18797 5202 1 9 . 1 1 32 32 GLU N N 32 122.610 122.610 123.334 -0.724 18797 5203 1 9 . 1 1 32 32 GLU C C 32 176.920 176.920 175.251 1.669 18797 5204 1 9 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.002 -0.432 18797 5205 1 9 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.921 -2.151 18797 5206 1 9 . 1 1 32 32 GLU H H 32 9.120 9.120 8.493 0.627 18797 5207 1 9 . 1 1 33 33 ASP N N 33 121.920 121.920 120.866 1.054 18797 5208 1 9 . 1 1 33 33 ASP C C 33 176.990 176.990 176.277 0.713 18797 5209 1 9 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.897 1.973 18797 5210 1 9 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.761 -1.491 18797 5211 1 9 . 1 1 33 33 ASP H H 33 8.600 8.600 8.364 0.236 18797 5212 1 9 . 1 1 34 34 ASN N N 34 115.300 115.300 117.184 -1.884 18797 5213 1 9 . 1 1 34 34 ASN C C 34 174.280 174.280 176.188 -1.908 18797 5214 1 9 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.339 -1.979 18797 5215 1 9 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.663 -0.713 18797 5216 1 9 . 1 1 34 34 ASN H H 34 8.420 8.420 8.515 -0.095 18797 5217 1 9 . 1 1 35 35 SER N N 35 112.970 112.970 113.055 -0.085 18797 5218 1 9 . 1 1 35 35 SER CA C 35 54.260 54.260 58.407 -4.147 18797 5219 1 9 . 1 1 35 35 SER CB C 35 64.920 64.920 63.041 1.879 18797 5220 1 9 . 1 1 35 35 SER H H 35 7.270 7.270 8.004 -0.734 18797 5221 1 9 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.166 1.194 18797 5222 1 9 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.553 -1.083 18797 5223 1 9 . 1 1 37 37 LEU N N 37 123.000 123.000 122.652 0.348 18797 5224 1 9 . 1 1 37 37 LEU C C 37 176.300 176.300 177.502 -1.202 18797 5225 1 9 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.547 -0.707 18797 5226 1 9 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.945 0.745 18797 5227 1 9 . 1 1 37 37 LEU H H 37 7.910 7.910 8.381 -0.471 18797 5228 1 9 . 1 1 38 38 GLY N N 38 117.320 117.320 108.909 8.411 18797 5229 1 9 . 1 1 38 38 GLY C C 38 172.340 172.340 173.118 -0.778 18797 5230 1 9 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.044 0.386 18797 5231 1 9 . 1 1 38 38 GLY H H 38 9.110 9.110 8.178 0.932 18797 5232 1 9 . 1 1 39 39 VAL N N 39 116.550 116.550 125.536 -8.986 18797 5233 1 9 . 1 1 39 39 VAL C C 39 171.720 171.720 174.845 -3.125 18797 5234 1 9 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.708 -2.708 18797 5235 1 9 . 1 1 39 39 VAL CB C 39 35.610 35.610 33.234 2.376 18797 5236 1 9 . 1 1 39 39 VAL H H 39 7.980 7.980 8.333 -0.353 18797 5237 1 9 . 1 1 40 40 ILE N N 40 125.640 125.640 128.066 -2.426 18797 5238 1 9 . 1 1 40 40 ILE C C 40 171.600 171.600 173.914 -2.314 18797 5239 1 9 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.296 0.244 18797 5240 1 9 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.988 2.142 18797 5241 1 9 . 1 1 40 40 ILE H H 40 9.160 9.160 8.308 0.852 18797 5242 1 9 . 1 1 41 41 GLY N N 41 111.830 111.830 114.592 -2.762 18797 5243 1 9 . 1 1 41 41 GLY C C 41 172.000 172.000 171.760 0.240 18797 5244 1 9 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.133 -0.983 18797 5245 1 9 . 1 1 41 41 GLY H H 41 8.930 8.930 8.379 0.551 18797 5246 1 9 . 1 1 42 42 SER N N 42 116.940 116.940 118.661 -1.721 18797 5247 1 9 . 1 1 42 42 SER C C 42 172.100 172.100 172.475 -0.375 18797 5248 1 9 . 1 1 42 42 SER CA C 42 56.220 56.220 55.967 0.253 18797 5249 1 9 . 1 1 42 42 SER CB C 42 62.920 62.920 65.436 -2.516 18797 5250 1 9 . 1 1 42 42 SER H H 42 9.190 9.190 8.203 0.987 18797 5251 1 9 . 1 1 43 43 PHE N N 43 129.230 129.230 124.805 4.425 18797 5252 1 9 . 1 1 43 43 PHE C C 43 172.920 172.920 175.227 -2.307 18797 5253 1 9 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.108 -0.149 18797 5254 1 9 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.331 0.099 18797 5255 1 9 . 1 1 43 43 PHE H H 43 9.300 9.300 8.700 0.600 18797 5256 1 9 . 1 1 44 44 THR N N 44 126.530 126.530 118.753 7.777 18797 5257 1 9 . 1 1 44 44 THR C C 44 171.340 171.340 173.297 -1.957 18797 5258 1 9 . 1 1 44 44 THR CA C 44 60.410 60.410 60.913 -0.503 18797 5259 1 9 . 1 1 44 44 THR CB C 44 70.220 70.220 71.455 -1.235 18797 5260 1 9 . 1 1 44 44 THR H H 44 8.820 8.820 8.317 0.503 18797 5261 1 9 . 1 1 45 45 TYR N N 45 125.840 125.840 124.950 0.890 18797 5262 1 9 . 1 1 45 45 TYR C C 45 174.000 174.000 175.573 -1.573 18797 5263 1 9 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.266 -0.596 18797 5264 1 9 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.066 -1.065 18797 5265 1 9 . 1 1 45 45 TYR H H 45 8.210 8.210 8.661 -0.451 18797 5266 1 9 . 1 1 46 46 THR N N 46 117.670 117.670 119.301 -1.631 18797 5267 1 9 . 1 1 46 46 THR C C 46 171.910 171.910 173.543 -1.633 18797 5268 1 9 . 1 1 46 46 THR CA C 46 58.720 58.720 61.213 -2.493 18797 5269 1 9 . 1 1 46 46 THR CB C 46 71.710 71.710 71.013 0.697 18797 5270 1 9 . 1 1 46 46 THR H H 46 8.550 8.550 8.678 -0.128 18797 5271 1 9 . 1 1 47 47 GLU N N 47 112.160 112.160 123.558 -11.398 18797 5272 1 9 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.005 -0.425 18797 5273 1 9 . 1 1 47 47 GLU CB C 47 32.670 32.670 33.786 -1.116 18797 5274 1 9 . 1 1 47 47 GLU H H 47 8.170 8.170 8.897 -0.727 18797 5275 1 9 . 1 1 49 49 SER CA C 49 58.210 58.210 58.261 -0.051 18797 5276 1 9 . 1 1 49 49 SER CB C 49 64.070 64.070 65.320 -1.250 18797 5277 1 9 . 1 1 49 49 SER H H 49 174.130 174.130 8.784 165.346 18797 5278 1 9 . 1 1 50 50 ARG N N 50 124.000 124.000 123.002 0.998 18797 5279 1 9 . 1 1 50 50 ARG C C 50 176.270 176.270 173.976 2.294 18797 5280 1 9 . 1 1 50 50 ARG CA C 50 55.960 55.960 55.402 0.558 18797 5281 1 9 . 1 1 50 50 ARG CB C 50 30.980 30.980 32.108 -1.128 18797 5282 1 9 . 1 1 50 50 ARG H H 50 8.600 8.600 7.854 0.746 18797 5283 1 9 . 1 1 51 51 THR N N 51 115.720 115.720 121.429 -5.709 18797 5284 1 9 . 1 1 51 51 THR C C 51 174.400 174.400 173.258 1.142 18797 5285 1 9 . 1 1 51 51 THR CA C 51 61.820 61.820 61.352 0.468 18797 5286 1 9 . 1 1 51 51 THR H H 51 8.240 8.240 8.198 0.042 18797 5287 1 9 . 1 1 52 52 ALA CA C 52 52.000 52.000 51.933 0.067 18797 5288 1 9 . 1 1 52 52 ALA CB C 52 18.800 18.800 17.919 0.881 18797 5289 1 9 . 1 1 52 52 ALA H H 52 175.230 175.230 8.572 166.658 18797 5290 1 9 . 1 1 53 53 SER N N 53 113.990 113.990 119.967 -5.977 18797 5291 1 9 . 1 1 53 53 SER C C 53 175.360 175.360 174.699 0.661 18797 5292 1 9 . 1 1 53 53 SER CA C 53 58.350 58.350 57.224 1.126 18797 5293 1 9 . 1 1 53 53 SER CB C 53 62.930 62.930 64.653 -1.723 18797 5294 1 9 . 1 1 53 53 SER H H 53 8.000 8.000 7.932 0.068 18797 5295 1 9 . 1 1 54 54 SER N N 54 113.510 113.510 116.727 -3.217 18797 5296 1 9 . 1 1 54 54 SER C C 54 173.880 173.880 175.761 -1.881 18797 5297 1 9 . 1 1 54 54 SER CA C 54 58.500 58.500 60.722 -2.222 18797 5298 1 9 . 1 1 54 54 SER CB C 54 62.960 62.960 63.164 -0.204 18797 5299 1 9 . 1 1 54 54 SER H H 54 8.050 8.050 8.787 -0.737 18797 5300 1 9 . 1 1 55 55 GLY N N 55 112.640 112.640 108.399 4.241 18797 5301 1 9 . 1 1 55 55 GLY CA C 55 44.200 44.200 45.017 -0.817 18797 5302 1 9 . 1 1 55 55 GLY H H 55 8.140 8.140 8.289 -0.149 18797 5303 1 9 . 1 1 56 56 ASP CA C 56 54.100 54.100 56.398 -2.297 18797 5304 1 9 . 1 1 56 56 ASP CB C 56 41.000 41.000 40.075 0.925 18797 5305 1 9 . 1 1 56 56 ASP H H 56 175.600 175.600 8.156 167.444 18797 5306 1 9 . 1 1 57 57 TYR N N 57 121.140 121.140 120.608 0.532 18797 5307 1 9 . 1 1 57 57 TYR CA C 57 57.280 57.280 57.729 -0.449 18797 5308 1 9 . 1 1 57 57 TYR CB C 57 38.400 38.400 40.513 -2.113 18797 5309 1 9 . 1 1 57 57 TYR H H 57 8.150 8.150 7.664 0.486 18797 5310 1 9 . 1 1 59 59 LYS CA C 59 55.410 55.410 55.587 -0.177 18797 5311 1 9 . 1 1 59 59 LYS CB C 59 34.220 34.220 34.299 -0.079 18797 5312 1 9 . 1 1 60 60 ASN N N 60 122.740 122.740 123.390 -0.650 18797 5313 1 9 . 1 1 60 60 ASN C C 60 175.260 175.260 173.590 1.670 18797 5314 1 9 . 1 1 60 60 ASN CA C 60 52.200 52.200 52.443 -0.243 18797 5315 1 9 . 1 1 60 60 ASN CB C 60 40.230 40.230 41.685 -1.455 18797 5316 1 9 . 1 1 60 60 ASN H H 60 8.360 8.360 8.695 -0.335 18797 5317 1 9 . 1 1 61 61 GLN N N 61 120.450 120.450 122.611 -2.161 18797 5318 1 9 . 1 1 61 61 GLN C C 61 172.500 172.500 174.037 -1.537 18797 5319 1 9 . 1 1 61 61 GLN CA C 61 54.740 54.740 55.047 -0.307 18797 5320 1 9 . 1 1 61 61 GLN CB C 61 34.840 34.840 31.894 2.946 18797 5321 1 9 . 1 1 61 61 GLN H H 61 8.530 8.530 8.258 0.272 18797 5322 1 9 . 1 1 62 62 TYR N N 62 123.620 123.620 128.594 -4.974 18797 5323 1 9 . 1 1 62 62 TYR C C 62 171.430 171.430 173.840 -2.410 18797 5324 1 9 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.188 0.652 18797 5325 1 9 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.432 -2.502 18797 5326 1 9 . 1 1 62 62 TYR H H 62 8.610 8.610 8.790 -0.180 18797 5327 1 9 . 1 1 63 63 TYR N N 63 123.920 123.920 128.869 -4.949 18797 5328 1 9 . 1 1 63 63 TYR C C 63 174.280 174.280 173.267 1.013 18797 5329 1 9 . 1 1 63 63 TYR CA C 63 54.580 54.580 56.312 -1.732 18797 5330 1 9 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.277 -0.957 18797 5331 1 9 . 1 1 63 63 TYR H H 63 8.400 8.400 8.348 0.052 18797 5332 1 9 . 1 1 64 64 GLY N N 64 107.510 107.510 114.482 -6.972 18797 5333 1 9 . 1 1 64 64 GLY C C 64 174.090 174.090 171.676 2.414 18797 5334 1 9 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.862 0.708 18797 5335 1 9 . 1 1 64 64 GLY H H 64 8.760 8.760 8.102 0.658 18797 5336 1 9 . 1 1 65 65 ILE N N 65 128.470 128.470 124.552 3.918 18797 5337 1 9 . 1 1 65 65 ILE C C 65 174.350 174.350 174.828 -0.478 18797 5338 1 9 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.586 0.374 18797 5339 1 9 . 1 1 65 65 ILE CB C 65 39.740 39.740 41.020 -1.280 18797 5340 1 9 . 1 1 65 65 ILE H H 65 8.900 8.900 8.110 0.790 18797 5341 1 9 . 1 1 66 66 THR N N 66 115.890 115.890 118.418 -2.528 18797 5342 1 9 . 1 1 66 66 THR C C 66 172.600 172.600 173.084 -0.484 18797 5343 1 9 . 1 1 66 66 THR CA C 66 58.670 58.670 59.116 -0.446 18797 5344 1 9 . 1 1 66 66 THR CB C 66 73.100 73.100 71.525 1.575 18797 5345 1 9 . 1 1 66 66 THR H H 66 8.900 8.900 8.290 0.610 18797 5346 1 9 . 1 1 67 67 ALA N N 67 119.730 119.730 123.269 -3.539 18797 5347 1 9 . 1 1 67 67 ALA C C 67 176.670 176.670 175.460 1.210 18797 5348 1 9 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.602 0.898 18797 5349 1 9 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.523 -0.463 18797 5350 1 9 . 1 1 67 67 ALA H H 67 9.370 9.370 8.377 0.993 18797 5351 1 9 . 1 1 68 68 GLY N N 68 104.240 104.240 106.708 -2.468 18797 5352 1 9 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.639 1.281 18797 5353 1 9 . 1 1 68 68 GLY H H 68 8.900 8.900 8.088 0.812 18797 5354 1 9 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.237 -0.197 18797 5355 1 9 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.888 -0.198 18797 5356 1 9 . 1 1 70 70 ALA N N 70 120.220 120.220 127.586 -7.366 18797 5357 1 9 . 1 1 70 70 ALA C C 70 175.590 175.590 175.818 -0.228 18797 5358 1 9 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.213 -1.723 18797 5359 1 9 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.894 0.086 18797 5360 1 9 . 1 1 70 70 ALA H H 70 7.870 7.870 8.727 -0.857 18797 5361 1 9 . 1 1 71 71 TYR N N 71 126.080 126.080 124.161 1.919 18797 5362 1 9 . 1 1 71 71 TYR C C 71 174.090 174.090 174.444 -0.354 18797 5363 1 9 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.255 -1.135 18797 5364 1 9 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.856 -0.936 18797 5365 1 9 . 1 1 71 71 TYR H H 71 9.780 9.780 8.994 0.786 18797 5366 1 9 . 1 1 72 72 ARG N N 72 131.410 131.410 128.087 3.323 18797 5367 1 9 . 1 1 72 72 ARG C C 72 174.160 174.160 174.164 -0.004 18797 5368 1 9 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.999 1.021 18797 5369 1 9 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.918 -1.298 18797 5370 1 9 . 1 1 72 72 ARG H H 72 8.770 8.770 8.087 0.683 18797 5371 1 9 . 1 1 73 73 ILE N N 73 129.550 129.550 126.544 3.006 18797 5372 1 9 . 1 1 73 73 ILE C C 73 175.730 175.730 176.986 -1.256 18797 5373 1 9 . 1 1 73 73 ILE CA C 73 62.950 62.950 59.168 3.782 18797 5374 1 9 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.395 0.115 18797 5375 1 9 . 1 1 73 73 ILE H H 73 8.400 8.400 7.923 0.477 18797 5376 1 9 . 1 1 74 74 ASN N N 74 114.870 114.870 125.167 -10.297 18797 5377 1 9 . 1 1 74 74 ASN C C 74 174.860 174.860 175.304 -0.444 18797 5378 1 9 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.416 -3.586 18797 5379 1 9 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.847 -2.007 18797 5380 1 9 . 1 1 74 74 ASN H H 74 7.920 7.920 8.825 -0.905 18797 5381 1 9 . 1 1 75 75 ASP N N 75 113.980 113.980 119.039 -5.059 18797 5382 1 9 . 1 1 75 75 ASP C C 75 175.820 175.820 175.453 0.367 18797 5383 1 9 . 1 1 75 75 ASP CA C 75 56.920 56.920 52.526 4.394 18797 5384 1 9 . 1 1 75 75 ASP CB C 75 40.230 40.230 39.825 0.405 18797 5385 1 9 . 1 1 75 75 ASP H H 75 8.320 8.320 7.940 0.380 18797 5386 1 9 . 1 1 76 76 TRP N N 76 113.600 113.600 124.993 -11.393 18797 5387 1 9 . 1 1 76 76 TRP C C 76 176.310 176.310 175.559 0.751 18797 5388 1 9 . 1 1 76 76 TRP CA C 76 55.410 55.410 58.325 -2.915 18797 5389 1 9 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.134 3.026 18797 5390 1 9 . 1 1 76 76 TRP H H 76 7.970 7.970 8.697 -0.727 18797 5391 1 9 . 1 1 77 77 ALA N N 77 125.520 125.520 120.290 5.230 18797 5392 1 9 . 1 1 77 77 ALA C C 77 175.620 175.620 177.171 -1.551 18797 5393 1 9 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.675 0.395 18797 5394 1 9 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.756 1.384 18797 5395 1 9 . 1 1 77 77 ALA H H 77 7.740 7.740 7.923 -0.183 18797 5396 1 9 . 1 1 78 78 SER N N 78 114.140 114.140 116.170 -2.030 18797 5397 1 9 . 1 1 78 78 SER C C 78 170.060 170.060 173.593 -3.533 18797 5398 1 9 . 1 1 78 78 SER CA C 78 57.250 57.250 60.354 -3.104 18797 5399 1 9 . 1 1 78 78 SER CB C 78 65.320 65.320 64.153 1.167 18797 5400 1 9 . 1 1 78 78 SER H H 78 8.100 8.100 7.629 0.471 18797 5401 1 9 . 1 1 79 79 ILE N N 79 120.650 120.650 121.545 -0.895 18797 5402 1 9 . 1 1 79 79 ILE C C 79 172.470 172.470 174.531 -2.061 18797 5403 1 9 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.717 -2.267 18797 5404 1 9 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.389 0.711 18797 5405 1 9 . 1 1 79 79 ILE H H 79 8.960 8.960 8.287 0.673 18797 5406 1 9 . 1 1 80 80 TYR N N 80 120.580 120.580 124.424 -3.844 18797 5407 1 9 . 1 1 80 80 TYR C C 80 173.000 173.000 173.606 -0.606 18797 5408 1 9 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.234 0.746 18797 5409 1 9 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.611 -0.581 18797 5410 1 9 . 1 1 80 80 TYR H H 80 8.360 8.360 8.359 0.001 18797 5411 1 9 . 1 1 81 81 GLY N N 81 106.140 106.140 108.597 -2.457 18797 5412 1 9 . 1 1 81 81 GLY C C 81 170.920 170.920 172.423 -1.503 18797 5413 1 9 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.947 0.053 18797 5414 1 9 . 1 1 81 81 GLY H H 81 8.050 8.050 8.192 -0.142 18797 5415 1 9 . 1 1 82 82 VAL N N 82 111.380 111.380 118.343 -6.963 18797 5416 1 9 . 1 1 82 82 VAL C C 82 174.370 174.370 173.509 0.861 18797 5417 1 9 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.132 -0.952 18797 5418 1 9 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.307 0.133 18797 5419 1 9 . 1 1 82 82 VAL H H 82 8.490 8.490 8.347 0.143 18797 5420 1 9 . 1 1 83 83 VAL N N 83 113.660 113.660 120.329 -6.669 18797 5421 1 9 . 1 1 83 83 VAL C C 83 174.680 174.680 175.397 -0.717 18797 5422 1 9 . 1 1 83 83 VAL CA C 83 59.090 59.090 60.283 -1.193 18797 5423 1 9 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.029 0.991 18797 5424 1 9 . 1 1 83 83 VAL H H 83 8.970 8.970 8.242 0.728 18797 5425 1 9 . 1 1 84 84 GLY N N 84 108.310 108.310 112.814 -4.504 18797 5426 1 9 . 1 1 84 84 GLY C C 84 171.440 171.440 172.176 -0.736 18797 5427 1 9 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.585 2.185 18797 5428 1 9 . 1 1 84 84 GLY H H 84 8.480 8.480 8.827 -0.347 18797 5429 1 9 . 1 1 85 85 VAL N N 85 122.520 122.520 119.321 3.199 18797 5430 1 9 . 1 1 85 85 VAL C C 85 172.560 172.560 174.894 -2.334 18797 5431 1 9 . 1 1 85 85 VAL CA C 85 59.170 59.170 59.842 -0.672 18797 5432 1 9 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.205 1.605 18797 5433 1 9 . 1 1 85 85 VAL H H 85 8.920 8.920 8.079 0.841 18797 5434 1 9 . 1 1 86 86 GLY N N 86 113.360 113.360 113.825 -0.465 18797 5435 1 9 . 1 1 86 86 GLY C C 86 172.210 172.210 171.821 0.389 18797 5436 1 9 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.483 -0.203 18797 5437 1 9 . 1 1 86 86 GLY H H 86 8.880 8.880 8.397 0.483 18797 5438 1 9 . 1 1 87 87 TYR N N 87 123.830 123.830 121.603 2.227 18797 5439 1 9 . 1 1 87 87 TYR C C 87 174.030 174.030 175.014 -0.984 18797 5440 1 9 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.955 -0.025 18797 5441 1 9 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.675 -0.645 18797 5442 1 9 . 1 1 87 87 TYR H H 87 9.310 9.310 8.435 0.875 18797 5443 1 9 . 1 1 88 88 GLY N N 88 112.300 112.300 108.619 3.681 18797 5444 1 9 . 1 1 88 88 GLY C C 88 170.620 170.620 172.231 -1.611 18797 5445 1 9 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.972 0.428 18797 5446 1 9 . 1 1 88 88 GLY H H 88 8.000 8.000 8.853 -0.853 18797 5447 1 9 . 1 1 89 89 LYS N N 89 122.410 122.410 123.044 -0.634 18797 5448 1 9 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.567 -0.087 18797 5449 1 9 . 1 1 89 89 LYS H H 89 8.230 8.230 8.687 -0.457 18797 5450 1 9 . 1 1 90 90 PHE C C 90 175.190 175.190 173.716 1.474 18797 5451 1 9 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.759 -1.729 18797 5452 1 9 . 1 1 90 90 PHE CB C 90 40.510 40.510 42.440 -1.930 18797 5453 1 9 . 1 1 91 91 GLN N N 91 122.380 122.380 127.898 -5.518 18797 5454 1 9 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.540 0.790 18797 5455 1 9 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.094 -1.394 18797 5456 1 9 . 1 1 91 91 GLN H H 91 8.370 8.370 8.125 0.245 18797 5457 1 9 . 1 1 94 94 GLU N N 94 175.780 175.780 120.818 54.962 18797 5458 1 9 . 1 1 94 94 GLU CA C 94 57.030 57.030 58.142 -1.112 18797 5459 1 9 . 1 1 94 94 GLU CB C 94 29.460 29.460 30.055 -0.595 18797 5460 1 9 . 1 1 95 95 TYR N N 95 120.240 120.240 114.981 5.259 18797 5461 1 9 . 1 1 95 95 TYR CA C 95 55.290 55.290 56.446 -1.156 18797 5462 1 9 . 1 1 95 95 TYR CB C 95 37.730 37.730 39.961 -2.231 18797 5463 1 9 . 1 1 95 95 TYR H H 95 7.830 7.830 7.816 0.014 18797 5464 1 9 . 1 1 97 97 THR CA C 97 62.210 62.210 64.957 -2.748 18797 5465 1 9 . 1 1 97 97 THR H H 97 174.320 174.320 7.967 166.353 18797 5466 1 9 . 1 1 98 98 TYR N N 98 122.540 122.540 118.753 3.787 18797 5467 1 9 . 1 1 98 98 TYR C C 98 175.000 175.000 175.592 -0.592 18797 5468 1 9 . 1 1 98 98 TYR CA C 98 57.530 57.530 59.277 -1.747 18797 5469 1 9 . 1 1 98 98 TYR CB C 98 38.350 38.350 39.131 -0.781 18797 5470 1 9 . 1 1 98 98 TYR H H 98 8.040 8.040 8.296 -0.256 18797 5471 1 9 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.574 0.446 18797 5472 1 9 . 1 1 101 101 ASP CB C 101 39.700 39.700 43.204 -3.504 18797 5473 1 9 . 1 1 101 101 ASP H H 101 176.040 176.040 7.831 168.209 18797 5474 1 9 . 1 1 102 102 THR N N 102 117.650 117.650 117.912 -0.262 18797 5475 1 9 . 1 1 102 102 THR C C 102 173.840 173.840 173.562 0.278 18797 5476 1 9 . 1 1 102 102 THR CA C 102 61.590 61.590 61.450 0.140 18797 5477 1 9 . 1 1 102 102 THR CB C 102 69.970 69.970 70.526 -0.556 18797 5478 1 9 . 1 1 102 102 THR H H 102 8.520 8.520 8.349 0.171 18797 5479 1 9 . 1 1 103 103 SER N N 103 119.470 119.470 120.181 -0.711 18797 5480 1 9 . 1 1 103 103 SER C C 103 173.580 173.580 173.184 0.396 18797 5481 1 9 . 1 1 103 103 SER CA C 103 57.310 57.310 56.676 0.634 18797 5482 1 9 . 1 1 103 103 SER H H 103 8.240 8.240 8.560 -0.320 18797 5483 1 9 . 1 1 104 104 ASP N N 104 122.250 122.250 119.055 3.195 18797 5484 1 9 . 1 1 104 104 ASP C C 104 173.100 173.100 173.881 -0.781 18797 5485 1 9 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.102 -0.502 18797 5486 1 9 . 1 1 104 104 ASP CB C 104 44.060 44.060 42.667 1.393 18797 5487 1 9 . 1 1 104 104 ASP H H 104 8.270 8.270 8.384 -0.114 18797 5488 1 9 . 1 1 105 105 TYR N N 105 116.040 116.040 116.872 -0.832 18797 5489 1 9 . 1 1 105 105 TYR C C 105 175.860 175.860 174.423 1.437 18797 5490 1 9 . 1 1 105 105 TYR CA C 105 55.550 55.550 55.870 -0.320 18797 5491 1 9 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.253 0.377 18797 5492 1 9 . 1 1 105 105 TYR H H 105 8.560 8.560 8.170 0.390 18797 5493 1 9 . 1 1 106 106 GLY N N 106 108.500 108.500 107.482 1.018 18797 5494 1 9 . 1 1 106 106 GLY C C 106 172.030 172.030 171.624 0.406 18797 5495 1 9 . 1 1 106 106 GLY CA C 106 44.490 44.490 43.841 0.649 18797 5496 1 9 . 1 1 106 106 GLY H H 106 9.190 9.190 8.207 0.983 18797 5497 1 9 . 1 1 107 107 PHE N N 107 121.420 121.420 118.549 2.871 18797 5498 1 9 . 1 1 107 107 PHE C C 107 175.430 175.430 175.233 0.197 18797 5499 1 9 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.842 0.698 18797 5500 1 9 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.400 -1.200 18797 5501 1 9 . 1 1 107 107 PHE H H 107 8.860 8.860 8.548 0.312 18797 5502 1 9 . 1 1 108 108 SER N N 108 123.250 123.250 118.693 4.557 18797 5503 1 9 . 1 1 108 108 SER C C 108 171.430 171.430 172.909 -1.479 18797 5504 1 9 . 1 1 108 108 SER CA C 108 56.100 56.100 57.231 -1.131 18797 5505 1 9 . 1 1 108 108 SER CB C 108 65.720 65.720 65.333 0.387 18797 5506 1 9 . 1 1 108 108 SER H H 108 8.110 8.110 8.778 -0.668 18797 5507 1 9 . 1 1 109 109 TYR N N 109 117.840 117.840 127.094 -9.254 18797 5508 1 9 . 1 1 109 109 TYR C C 109 173.560 173.560 173.664 -0.104 18797 5509 1 9 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.187 -0.867 18797 5510 1 9 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.696 -3.135 18797 5511 1 9 . 1 1 109 109 TYR H H 109 8.480 8.480 8.393 0.087 18797 5512 1 9 . 1 1 110 110 GLY N N 110 106.400 106.400 111.796 -5.396 18797 5513 1 9 . 1 1 110 110 GLY C C 110 171.350 171.350 170.872 0.478 18797 5514 1 9 . 1 1 110 110 GLY CA C 110 46.160 46.160 43.615 2.545 18797 5515 1 9 . 1 1 110 110 GLY H H 110 8.980 8.980 7.927 1.053 18797 5516 1 9 . 1 1 111 111 ALA N N 111 119.140 119.140 121.178 -2.038 18797 5517 1 9 . 1 1 111 111 ALA C C 111 174.640 174.640 174.681 -0.041 18797 5518 1 9 . 1 1 111 111 ALA CA C 111 50.970 50.970 49.966 1.004 18797 5519 1 9 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.563 -0.413 18797 5520 1 9 . 1 1 111 111 ALA H H 111 8.390 8.390 7.197 1.193 18797 5521 1 9 . 1 1 112 112 GLY N N 112 106.070 106.070 106.592 -0.522 18797 5522 1 9 . 1 1 112 112 GLY C C 112 169.770 169.770 171.769 -1.999 18797 5523 1 9 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.400 0.870 18797 5524 1 9 . 1 1 112 112 GLY H H 112 7.820 7.820 7.359 0.461 18797 5525 1 9 . 1 1 113 113 LEU N N 113 116.370 116.370 119.698 -3.328 18797 5526 1 9 . 1 1 113 113 LEU C C 113 175.090 175.090 175.677 -0.587 18797 5527 1 9 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.135 -0.445 18797 5528 1 9 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.400 1.160 18797 5529 1 9 . 1 1 113 113 LEU H H 113 8.930 8.930 8.517 0.413 18797 5530 1 9 . 1 1 114 114 GLN N N 114 115.860 115.860 120.746 -4.886 18797 5531 1 9 . 1 1 114 114 GLN C C 114 176.910 176.910 174.487 2.423 18797 5532 1 9 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.483 -0.753 18797 5533 1 9 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.829 0.461 18797 5534 1 9 . 1 1 114 114 GLN H H 114 7.860 7.860 8.296 -0.436 18797 5535 1 9 . 1 1 115 115 PHE N N 115 126.580 126.580 121.652 4.928 18797 5536 1 9 . 1 1 115 115 PHE C C 115 175.740 175.740 172.824 2.916 18797 5537 1 9 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.972 -1.772 18797 5538 1 9 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.308 2.062 18797 5539 1 9 . 1 1 115 115 PHE H H 115 9.750 9.750 8.304 1.446 18797 5540 1 9 . 1 1 116 116 ASN N N 116 119.920 119.920 120.744 -0.824 18797 5541 1 9 . 1 1 116 116 ASN CA C 116 51.200 51.200 51.090 0.110 18797 5542 1 9 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.300 0.350 18797 5543 1 9 . 1 1 116 116 ASN H H 116 9.450 9.450 8.509 0.941 18797 5544 1 9 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.577 2.123 18797 5545 1 9 . 1 1 118 118 MET N N 118 110.530 110.530 119.061 -8.531 18797 5546 1 9 . 1 1 118 118 MET C C 118 176.130 176.130 176.434 -0.304 18797 5547 1 9 . 1 1 118 118 MET CA C 118 53.980 53.980 57.052 -3.072 18797 5548 1 9 . 1 1 118 118 MET CB C 118 36.310 36.310 32.678 3.632 18797 5549 1 9 . 1 1 118 118 MET H H 118 7.310 7.310 8.339 -1.029 18797 5550 1 9 . 1 1 119 119 GLU N N 119 120.320 120.320 115.112 5.208 18797 5551 1 9 . 1 1 119 119 GLU C C 119 176.810 176.810 177.568 -0.758 18797 5552 1 9 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.695 1.905 18797 5553 1 9 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.326 -0.176 18797 5554 1 9 . 1 1 119 119 GLU H H 119 9.120 9.120 8.742 0.378 18797 5555 1 9 . 1 1 120 120 ASN N N 120 112.490 112.490 117.593 -5.103 18797 5556 1 9 . 1 1 120 120 ASN C C 120 174.080 174.080 176.648 -2.568 18797 5557 1 9 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.401 -2.001 18797 5558 1 9 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.423 0.407 18797 5559 1 9 . 1 1 120 120 ASN H H 120 8.430 8.430 8.902 -0.472 18797 5560 1 9 . 1 1 121 121 VAL N N 121 117.760 117.760 113.582 4.178 18797 5561 1 9 . 1 1 121 121 VAL C C 121 174.750 174.750 175.169 -0.419 18797 5562 1 9 . 1 1 121 121 VAL CA C 121 60.690 60.690 61.975 -1.286 18797 5563 1 9 . 1 1 121 121 VAL CB C 121 34.900 34.900 30.742 4.158 18797 5564 1 9 . 1 1 121 121 VAL H H 121 7.500 7.500 7.277 0.223 18797 5565 1 9 . 1 1 122 122 ALA N N 122 127.190 127.190 123.588 3.602 18797 5566 1 9 . 1 1 122 122 ALA C C 122 175.140 175.140 175.149 -0.009 18797 5567 1 9 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.742 -1.352 18797 5568 1 9 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.833 0.987 18797 5569 1 9 . 1 1 122 122 ALA H H 122 8.230 8.230 7.185 1.045 18797 5570 1 9 . 1 1 123 123 LEU N N 123 120.270 120.270 122.137 -1.867 18797 5571 1 9 . 1 1 123 123 LEU C C 123 174.310 174.310 174.811 -0.501 18797 5572 1 9 . 1 1 123 123 LEU CA C 123 53.660 53.660 54.208 -0.548 18797 5573 1 9 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.298 -1.788 18797 5574 1 9 . 1 1 123 123 LEU H H 123 8.910 8.910 7.768 1.142 18797 5575 1 9 . 1 1 124 124 ASP N N 124 127.350 127.350 119.812 7.538 18797 5576 1 9 . 1 1 124 124 ASP C C 124 171.830 171.830 174.186 -2.356 18797 5577 1 9 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.628 1.192 18797 5578 1 9 . 1 1 124 124 ASP CB C 124 47.490 47.490 45.162 2.328 18797 5579 1 9 . 1 1 124 124 ASP H H 124 8.580 8.580 8.016 0.564 18797 5580 1 9 . 1 1 125 125 PHE N N 125 123.390 123.390 122.036 1.354 18797 5581 1 9 . 1 1 125 125 PHE C C 125 174.130 174.130 174.900 -0.770 18797 5582 1 9 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.362 -0.702 18797 5583 1 9 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.752 -0.052 18797 5584 1 9 . 1 1 125 125 PHE H H 125 8.670 8.670 8.409 0.261 18797 5585 1 9 . 1 1 126 126 SER N N 126 118.680 118.680 117.230 1.450 18797 5586 1 9 . 1 1 126 126 SER C C 126 169.980 169.980 172.874 -2.894 18797 5587 1 9 . 1 1 126 126 SER CA C 126 58.120 58.120 56.615 1.505 18797 5588 1 9 . 1 1 126 126 SER CB C 126 66.950 66.950 66.650 0.300 18797 5589 1 9 . 1 1 126 126 SER H H 126 9.390 9.390 9.001 0.389 18797 5590 1 9 . 1 1 127 127 TYR N N 127 119.080 119.080 117.944 1.136 18797 5591 1 9 . 1 1 127 127 TYR C C 127 174.390 174.390 173.590 0.800 18797 5592 1 9 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.006 0.434 18797 5593 1 9 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.388 1.712 18797 5594 1 9 . 1 1 127 127 TYR H H 127 8.610 8.610 8.323 0.287 18797 5595 1 9 . 1 1 128 128 GLU N N 128 130.070 130.070 122.433 7.637 18797 5596 1 9 . 1 1 128 128 GLU C C 128 172.590 172.590 174.710 -2.120 18797 5597 1 9 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.145 -0.015 18797 5598 1 9 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.754 -0.254 18797 5599 1 9 . 1 1 128 128 GLU H H 128 8.510 8.510 8.380 0.130 18797 5600 1 9 . 1 1 129 129 GLN N N 129 128.670 128.670 126.539 2.131 18797 5601 1 9 . 1 1 129 129 GLN C C 129 173.690 173.690 174.687 -0.997 18797 5602 1 9 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.307 -1.097 18797 5603 1 9 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.809 -1.759 18797 5604 1 9 . 1 1 129 129 GLN H H 129 9.330 9.330 8.710 0.620 18797 5605 1 9 . 1 1 130 130 SER N N 130 118.630 118.630 121.808 -3.178 18797 5606 1 9 . 1 1 130 130 SER C C 130 174.210 174.210 173.850 0.360 18797 5607 1 9 . 1 1 130 130 SER CA C 130 56.450 56.450 56.842 -0.392 18797 5608 1 9 . 1 1 130 130 SER CB C 130 66.260 66.260 65.847 0.413 18797 5609 1 9 . 1 1 130 130 SER H H 130 8.580 8.580 8.093 0.487 18797 5610 1 9 . 1 1 131 131 ARG N N 131 126.850 126.850 123.483 3.367 18797 5611 1 9 . 1 1 131 131 ARG C C 131 174.740 174.740 175.381 -0.641 18797 5612 1 9 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.713 -0.373 18797 5613 1 9 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.051 -0.141 18797 5614 1 9 . 1 1 131 131 ARG H H 131 7.690 7.690 8.866 -1.176 18797 5615 1 9 . 1 1 132 132 ILE N N 132 129.470 129.470 125.207 4.263 18797 5616 1 9 . 1 1 132 132 ILE C C 132 175.500 175.500 176.221 -0.721 18797 5617 1 9 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.506 -2.616 18797 5618 1 9 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.321 0.999 18797 5619 1 9 . 1 1 132 132 ILE H H 132 8.730 8.730 8.756 -0.026 18797 5620 1 9 . 1 1 133 133 ARG N N 133 127.220 127.220 128.310 -1.090 18797 5621 1 9 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.436 2.674 18797 5622 1 9 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.921 -3.601 18797 5623 1 9 . 1 1 133 133 ARG H H 133 9.400 9.400 8.053 1.347 18797 5624 1 9 . 1 1 134 134 SER C C 134 173.290 173.290 173.560 -0.270 18797 5625 1 9 . 1 1 134 134 SER CA C 134 58.490 58.490 60.238 -1.748 18797 5626 1 9 . 1 1 134 134 SER CB C 134 62.860 62.860 62.915 -0.055 18797 5627 1 9 . 1 1 135 135 VAL N N 135 124.810 124.810 115.557 9.253 18797 5628 1 9 . 1 1 135 135 VAL C C 135 174.650 174.650 174.441 0.209 18797 5629 1 9 . 1 1 135 135 VAL CA C 135 61.870 61.870 60.454 1.416 18797 5630 1 9 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.255 -2.195 18797 5631 1 9 . 1 1 135 135 VAL H H 135 8.270 8.270 7.316 0.954 18797 5632 1 9 . 1 1 136 136 ASP N N 136 127.750 127.750 124.669 3.081 18797 5633 1 9 . 1 1 136 136 ASP C C 136 175.130 175.130 175.663 -0.533 18797 5634 1 9 . 1 1 136 136 ASP CA C 136 54.220 54.220 53.281 0.939 18797 5635 1 9 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.900 -1.150 18797 5636 1 9 . 1 1 136 136 ASP H H 136 8.010 8.010 8.374 -0.364 18797 5637 1 9 . 1 1 137 137 VAL N N 137 124.520 124.520 122.702 1.818 18797 5638 1 9 . 1 1 137 137 VAL C C 137 174.690 174.690 175.294 -0.604 18797 5639 1 9 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.737 -0.287 18797 5640 1 9 . 1 1 137 137 VAL CB C 137 32.800 32.800 32.524 0.276 18797 5641 1 9 . 1 1 137 137 VAL H H 137 8.720 8.720 7.860 0.860 18797 5642 1 9 . 1 1 138 138 GLY N N 138 116.920 116.920 115.414 1.506 18797 5643 1 9 . 1 1 138 138 GLY C C 138 172.930 172.930 172.772 0.158 18797 5644 1 9 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.446 0.034 18797 5645 1 9 . 1 1 138 138 GLY H H 138 8.240 8.240 8.586 -0.346 18797 5646 1 9 . 1 1 139 139 THR N N 139 125.070 125.070 122.609 2.461 18797 5647 1 9 . 1 1 139 139 THR C C 139 171.920 171.920 173.315 -1.395 18797 5648 1 9 . 1 1 139 139 THR CA C 139 60.890 60.890 61.410 -0.520 18797 5649 1 9 . 1 1 139 139 THR CB C 139 70.290 70.290 71.683 -1.393 18797 5650 1 9 . 1 1 139 139 THR H H 139 8.710 8.710 7.874 0.836 18797 5651 1 9 . 1 1 140 140 TRP N N 140 125.840 125.840 127.095 -1.255 18797 5652 1 9 . 1 1 140 140 TRP C C 140 175.070 175.070 175.597 -0.527 18797 5653 1 9 . 1 1 140 140 TRP CA C 140 55.130 55.130 56.029 -0.898 18797 5654 1 9 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.134 -0.034 18797 5655 1 9 . 1 1 140 140 TRP H H 140 8.330 8.330 8.521 -0.191 18797 5656 1 9 . 1 1 141 141 ILE N N 141 123.240 123.240 123.148 0.092 18797 5657 1 9 . 1 1 141 141 ILE C C 141 174.870 174.870 174.603 0.267 18797 5658 1 9 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.893 0.497 18797 5659 1 9 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.740 -1.111 18797 5660 1 9 . 1 1 141 141 ILE H H 141 8.980 8.980 9.088 -0.108 18797 5661 1 9 . 1 1 142 142 ALA N N 142 127.680 127.680 128.890 -1.210 18797 5662 1 9 . 1 1 142 142 ALA C C 142 175.700 175.700 175.752 -0.052 18797 5663 1 9 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.172 0.358 18797 5664 1 9 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.400 -0.190 18797 5665 1 9 . 1 1 142 142 ALA H H 142 8.350 8.350 8.511 -0.161 18797 5666 1 9 . 1 1 143 143 GLY N N 143 109.030 109.030 109.814 -0.784 18797 5667 1 9 . 1 1 143 143 GLY C C 143 172.090 172.090 171.959 0.131 18797 5668 1 9 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.111 1.319 18797 5669 1 9 . 1 1 143 143 GLY H H 143 9.520 9.520 8.112 1.408 18797 5670 1 9 . 1 1 144 144 VAL N N 144 114.110 114.110 116.176 -2.066 18797 5671 1 9 . 1 1 144 144 VAL C C 144 174.010 174.010 174.300 -0.290 18797 5672 1 9 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.184 0.086 18797 5673 1 9 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.526 0.964 18797 5674 1 9 . 1 1 144 144 VAL H H 144 8.750 8.750 8.427 0.323 18797 5675 1 9 . 1 1 145 145 GLY N N 145 107.360 107.360 110.824 -3.464 18797 5676 1 9 . 1 1 145 145 GLY C C 145 171.210 171.210 171.278 -0.068 18797 5677 1 9 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.337 2.433 18797 5678 1 9 . 1 1 145 145 GLY H H 145 8.590 8.590 8.544 0.046 18797 5679 1 9 . 1 1 146 146 TYR N N 146 121.960 121.960 119.510 2.450 18797 5680 1 9 . 1 1 146 146 TYR C C 146 172.440 172.440 173.887 -1.447 18797 5681 1 9 . 1 1 146 146 TYR CA C 146 55.250 55.250 56.014 -0.764 18797 5682 1 9 . 1 1 146 146 TYR CB C 146 44.270 44.270 42.664 1.606 18797 5683 1 9 . 1 1 146 146 TYR H H 146 8.370 8.370 8.143 0.227 18797 5684 1 9 . 1 1 147 147 ARG N N 147 129.590 129.590 123.686 5.904 18797 5685 1 9 . 1 1 147 147 ARG C C 147 173.850 173.850 175.655 -1.805 18797 5686 1 9 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.350 -0.990 18797 5687 1 9 . 1 1 147 147 ARG CB C 147 32.420 32.420 32.707 -0.287 18797 5688 1 9 . 1 1 147 147 ARG H H 147 7.690 7.690 7.444 0.246 18797 5689 1 10 . 1 1 2 2 THR N N 2 114.280 114.280 114.349 -0.069 18797 5690 1 10 . 1 1 2 2 THR C C 2 173.570 173.570 173.984 -0.414 18797 5691 1 10 . 1 1 2 2 THR CA C 2 61.040 61.040 61.672 -0.632 18797 5692 1 10 . 1 1 2 2 THR CB C 2 71.930 71.930 69.746 2.184 18797 5693 1 10 . 1 1 2 2 THR H H 2 8.490 8.490 8.226 0.264 18797 5694 1 10 . 1 1 3 3 SER N N 3 122.430 122.430 116.371 6.059 18797 5695 1 10 . 1 1 3 3 SER C C 3 172.590 172.590 172.893 -0.303 18797 5696 1 10 . 1 1 3 3 SER CA C 3 56.760 56.760 57.323 -0.563 18797 5697 1 10 . 1 1 3 3 SER CB C 3 65.480 65.480 65.096 0.384 18797 5698 1 10 . 1 1 3 3 SER H H 3 9.000 9.000 8.710 0.290 18797 5699 1 10 . 1 1 4 4 THR N N 4 117.240 117.240 120.105 -2.865 18797 5700 1 10 . 1 1 4 4 THR C C 4 174.640 174.640 173.062 1.578 18797 5701 1 10 . 1 1 4 4 THR CA C 4 61.390 61.390 61.211 0.179 18797 5702 1 10 . 1 1 4 4 THR CB C 4 70.680 70.680 71.650 -0.970 18797 5703 1 10 . 1 1 4 4 THR H H 4 8.610 8.610 8.155 0.455 18797 5704 1 10 . 1 1 5 5 VAL N N 5 129.440 129.440 120.873 8.567 18797 5705 1 10 . 1 1 5 5 VAL C C 5 174.770 174.770 174.572 0.198 18797 5706 1 10 . 1 1 5 5 VAL CA C 5 59.760 59.760 59.014 0.746 18797 5707 1 10 . 1 1 5 5 VAL CB C 5 33.490 33.490 34.415 -0.925 18797 5708 1 10 . 1 1 5 5 VAL H H 5 8.750 8.750 8.644 0.106 18797 5709 1 10 . 1 1 6 6 THR N N 6 116.430 116.430 115.423 1.007 18797 5710 1 10 . 1 1 6 6 THR C C 6 172.930 172.930 173.656 -0.726 18797 5711 1 10 . 1 1 6 6 THR CA C 6 58.590 58.590 59.924 -1.334 18797 5712 1 10 . 1 1 6 6 THR CB C 6 70.930 70.930 71.846 -0.916 18797 5713 1 10 . 1 1 6 6 THR H H 6 8.890 8.890 8.001 0.889 18797 5714 1 10 . 1 1 7 7 GLY N N 7 105.590 105.590 108.797 -3.207 18797 5715 1 10 . 1 1 7 7 GLY C C 7 172.430 172.430 172.252 0.178 18797 5716 1 10 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.772 0.548 18797 5717 1 10 . 1 1 7 7 GLY H H 7 8.760 8.760 8.411 0.349 18797 5718 1 10 . 1 1 8 8 GLY N N 8 106.530 106.530 109.814 -3.284 18797 5719 1 10 . 1 1 8 8 GLY C C 8 173.030 173.030 171.594 1.436 18797 5720 1 10 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.625 1.305 18797 5721 1 10 . 1 1 8 8 GLY H H 8 9.100 9.100 8.148 0.952 18797 5722 1 10 . 1 1 9 9 TYR N N 9 121.730 121.730 121.165 0.565 18797 5723 1 10 . 1 1 9 9 TYR C C 9 172.390 172.390 173.102 -0.712 18797 5724 1 10 . 1 1 9 9 TYR CA C 9 56.840 56.840 55.995 0.845 18797 5725 1 10 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.334 -1.254 18797 5726 1 10 . 1 1 9 9 TYR H H 9 8.410 8.410 8.194 0.216 18797 5727 1 10 . 1 1 10 10 ALA N N 10 128.460 128.460 127.891 0.569 18797 5728 1 10 . 1 1 10 10 ALA C C 10 174.020 174.020 174.376 -0.356 18797 5729 1 10 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.115 -0.906 18797 5730 1 10 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.657 -0.437 18797 5731 1 10 . 1 1 10 10 ALA H H 10 6.910 6.910 8.048 -1.138 18797 5732 1 10 . 1 1 11 11 GLN N N 11 118.830 118.830 120.715 -1.885 18797 5733 1 10 . 1 1 11 11 GLN C C 11 175.650 175.650 174.477 1.173 18797 5734 1 10 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.678 0.152 18797 5735 1 10 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.471 -0.411 18797 5736 1 10 . 1 1 11 11 GLN H H 11 8.100 8.100 7.448 0.652 18797 5737 1 10 . 1 1 12 12 SER N N 12 124.200 124.200 120.515 3.685 18797 5738 1 10 . 1 1 12 12 SER C C 12 172.710 172.710 174.069 -1.359 18797 5739 1 10 . 1 1 12 12 SER CA C 12 57.190 57.190 55.910 1.280 18797 5740 1 10 . 1 1 12 12 SER CB C 12 64.180 64.180 65.526 -1.346 18797 5741 1 10 . 1 1 12 12 SER H H 12 9.160 9.160 8.552 0.608 18797 5742 1 10 . 1 1 13 13 ASP N N 13 124.950 124.950 127.539 -2.589 18797 5743 1 10 . 1 1 13 13 ASP C C 13 174.860 174.860 175.920 -1.060 18797 5744 1 10 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.965 -1.005 18797 5745 1 10 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.069 0.851 18797 5746 1 10 . 1 1 13 13 ASP H H 13 9.070 9.070 8.052 1.018 18797 5747 1 10 . 1 1 14 14 ALA N N 14 128.730 128.730 126.603 2.127 18797 5748 1 10 . 1 1 14 14 ALA C C 14 176.230 176.230 177.427 -1.197 18797 5749 1 10 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.895 -2.086 18797 5750 1 10 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.168 -0.668 18797 5751 1 10 . 1 1 14 14 ALA H H 14 8.560 8.560 8.111 0.449 18797 5752 1 10 . 1 1 15 15 GLN N N 15 122.750 122.750 122.159 0.591 18797 5753 1 10 . 1 1 15 15 GLN C C 15 176.660 176.660 176.603 0.057 18797 5754 1 10 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.797 2.323 18797 5755 1 10 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.528 -2.368 18797 5756 1 10 . 1 1 15 15 GLN H H 15 8.340 8.340 8.469 -0.129 18797 5757 1 10 . 1 1 16 16 GLY N N 16 112.800 112.800 109.608 3.192 18797 5758 1 10 . 1 1 16 16 GLY C C 16 174.400 174.400 173.854 0.546 18797 5759 1 10 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.586 -0.406 18797 5760 1 10 . 1 1 16 16 GLY H H 16 8.650 8.650 8.494 0.156 18797 5761 1 10 . 1 1 17 17 GLN N N 17 119.300 119.300 118.688 0.612 18797 5762 1 10 . 1 1 17 17 GLN C C 17 175.720 175.720 174.960 0.760 18797 5763 1 10 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.817 -2.217 18797 5764 1 10 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.589 5.211 18797 5765 1 10 . 1 1 17 17 GLN H H 17 8.080 8.080 8.844 -0.764 18797 5766 1 10 . 1 1 18 18 MET N N 18 120.170 120.170 115.583 4.587 18797 5767 1 10 . 1 1 18 18 MET C C 18 175.400 175.400 174.269 1.131 18797 5768 1 10 . 1 1 18 18 MET CA C 18 55.980 55.980 54.281 1.700 18797 5769 1 10 . 1 1 18 18 MET CB C 18 35.590 35.590 36.185 -0.595 18797 5770 1 10 . 1 1 18 18 MET H H 18 8.370 8.370 7.535 0.835 18797 5771 1 10 . 1 1 19 19 ASN N N 19 117.900 117.900 120.186 -2.286 18797 5772 1 10 . 1 1 19 19 ASN C C 19 174.400 174.400 174.879 -0.479 18797 5773 1 10 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.186 0.114 18797 5774 1 10 . 1 1 19 19 ASN CB C 19 39.400 39.400 40.074 -0.674 18797 5775 1 10 . 1 1 19 19 ASN H H 19 7.990 7.990 8.399 -0.409 18797 5776 1 10 . 1 1 20 20 LYS N N 20 120.800 120.800 121.195 -0.395 18797 5777 1 10 . 1 1 20 20 LYS C C 20 176.410 176.410 175.703 0.707 18797 5778 1 10 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.030 -1.330 18797 5779 1 10 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.305 -1.405 18797 5780 1 10 . 1 1 20 20 LYS H H 20 8.340 8.340 8.556 -0.216 18797 5781 1 10 . 1 1 21 21 MET N N 21 120.500 120.500 117.178 3.322 18797 5782 1 10 . 1 1 21 21 MET C C 21 175.270 175.270 175.150 0.120 18797 5783 1 10 . 1 1 21 21 MET CA C 21 54.800 54.800 54.600 0.200 18797 5784 1 10 . 1 1 21 21 MET CB C 21 34.730 34.730 37.780 -3.050 18797 5785 1 10 . 1 1 21 21 MET H H 21 8.580 8.580 7.781 0.799 18797 5786 1 10 . 1 1 22 22 GLY N N 22 111.280 111.280 107.406 3.874 18797 5787 1 10 . 1 1 22 22 GLY C C 22 174.030 174.030 171.972 2.058 18797 5788 1 10 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.652 0.158 18797 5789 1 10 . 1 1 22 22 GLY H H 22 8.430 8.430 8.254 0.176 18797 5790 1 10 . 1 1 23 23 GLY N N 23 120.170 120.170 108.875 11.295 18797 5791 1 10 . 1 1 23 23 GLY C C 23 171.850 171.850 171.617 0.233 18797 5792 1 10 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.584 2.566 18797 5793 1 10 . 1 1 23 23 GLY H H 23 8.180 8.180 7.502 0.678 18797 5794 1 10 . 1 1 24 24 PHE N N 24 121.370 121.370 120.517 0.853 18797 5795 1 10 . 1 1 24 24 PHE C C 24 171.570 171.570 174.631 -3.061 18797 5796 1 10 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.323 -1.593 18797 5797 1 10 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.166 1.345 18797 5798 1 10 . 1 1 24 24 PHE H H 24 9.230 9.230 8.583 0.647 18797 5799 1 10 . 1 1 25 25 ASN N N 25 118.950 118.950 120.482 -1.532 18797 5800 1 10 . 1 1 25 25 ASN C C 25 172.080 172.080 173.826 -1.746 18797 5801 1 10 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.278 -1.408 18797 5802 1 10 . 1 1 25 25 ASN CB C 25 46.450 46.450 41.999 4.451 18797 5803 1 10 . 1 1 25 25 ASN H H 25 8.520 8.520 8.563 -0.043 18797 5804 1 10 . 1 1 26 26 LEU N N 26 126.150 126.150 125.590 0.560 18797 5805 1 10 . 1 1 26 26 LEU C C 26 175.620 175.620 174.859 0.761 18797 5806 1 10 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.700 -0.210 18797 5807 1 10 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.898 0.732 18797 5808 1 10 . 1 1 26 26 LEU H H 26 9.340 9.340 8.348 0.992 18797 5809 1 10 . 1 1 27 27 LYS N N 27 117.980 117.980 123.694 -5.714 18797 5810 1 10 . 1 1 27 27 LYS C C 27 175.120 175.120 175.259 -0.139 18797 5811 1 10 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.189 1.001 18797 5812 1 10 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.536 0.034 18797 5813 1 10 . 1 1 27 27 LYS H H 27 8.850 8.850 8.238 0.612 18797 5814 1 10 . 1 1 28 28 TYR N N 28 120.820 120.820 120.294 0.526 18797 5815 1 10 . 1 1 28 28 TYR C C 28 172.480 172.480 174.649 -2.169 18797 5816 1 10 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.904 -0.624 18797 5817 1 10 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.126 -0.225 18797 5818 1 10 . 1 1 28 28 TYR H H 28 8.430 8.430 8.542 -0.112 18797 5819 1 10 . 1 1 29 29 ARG N N 29 129.660 129.660 120.910 8.750 18797 5820 1 10 . 1 1 29 29 ARG C C 29 172.780 172.780 174.585 -1.805 18797 5821 1 10 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.803 -0.803 18797 5822 1 10 . 1 1 29 29 ARG CB C 29 34.010 34.010 35.107 -1.097 18797 5823 1 10 . 1 1 29 29 ARG H H 29 8.670 8.670 8.488 0.182 18797 5824 1 10 . 1 1 30 30 TYR N N 30 127.210 127.210 123.638 3.572 18797 5825 1 10 . 1 1 30 30 TYR C C 30 175.000 175.000 175.024 -0.024 18797 5826 1 10 . 1 1 30 30 TYR CA C 30 56.830 56.830 57.158 -0.328 18797 5827 1 10 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.770 1.370 18797 5828 1 10 . 1 1 30 30 TYR H H 30 8.930 8.930 8.163 0.767 18797 5829 1 10 . 1 1 31 31 GLU N N 31 128.090 128.090 122.941 5.149 18797 5830 1 10 . 1 1 31 31 GLU C C 31 174.250 174.250 176.158 -1.908 18797 5831 1 10 . 1 1 31 31 GLU CA C 31 54.630 54.630 56.056 -1.426 18797 5832 1 10 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.626 1.864 18797 5833 1 10 . 1 1 31 31 GLU H H 31 8.170 8.170 8.375 -0.205 18797 5834 1 10 . 1 1 32 32 GLU N N 32 122.610 122.610 123.639 -1.029 18797 5835 1 10 . 1 1 32 32 GLU C C 32 176.920 176.920 174.688 2.232 18797 5836 1 10 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.264 -0.694 18797 5837 1 10 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.909 -2.139 18797 5838 1 10 . 1 1 32 32 GLU H H 32 9.120 9.120 8.507 0.613 18797 5839 1 10 . 1 1 33 33 ASP N N 33 121.920 121.920 120.587 1.333 18797 5840 1 10 . 1 1 33 33 ASP C C 33 176.990 176.990 176.865 0.125 18797 5841 1 10 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.708 2.162 18797 5842 1 10 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.930 -1.660 18797 5843 1 10 . 1 1 33 33 ASP H H 33 8.600 8.600 8.395 0.205 18797 5844 1 10 . 1 1 34 34 ASN N N 34 115.300 115.300 117.014 -1.714 18797 5845 1 10 . 1 1 34 34 ASN C C 34 174.280 174.280 176.203 -1.923 18797 5846 1 10 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.301 -1.941 18797 5847 1 10 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.110 -0.160 18797 5848 1 10 . 1 1 34 34 ASN H H 34 8.420 8.420 8.631 -0.211 18797 5849 1 10 . 1 1 35 35 SER N N 35 112.970 112.970 115.724 -2.754 18797 5850 1 10 . 1 1 35 35 SER CA C 35 54.260 54.260 58.365 -4.105 18797 5851 1 10 . 1 1 35 35 SER CB C 35 64.920 64.920 63.158 1.762 18797 5852 1 10 . 1 1 35 35 SER H H 35 7.270 7.270 8.611 -1.341 18797 5853 1 10 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.173 1.187 18797 5854 1 10 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.618 -1.148 18797 5855 1 10 . 1 1 37 37 LEU N N 37 123.000 123.000 122.726 0.274 18797 5856 1 10 . 1 1 37 37 LEU C C 37 176.300 176.300 177.585 -1.285 18797 5857 1 10 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.524 -0.684 18797 5858 1 10 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.766 0.924 18797 5859 1 10 . 1 1 37 37 LEU H H 37 7.910 7.910 8.398 -0.488 18797 5860 1 10 . 1 1 38 38 GLY N N 38 117.320 117.320 108.923 8.397 18797 5861 1 10 . 1 1 38 38 GLY C C 38 172.340 172.340 173.165 -0.825 18797 5862 1 10 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.225 0.205 18797 5863 1 10 . 1 1 38 38 GLY H H 38 9.110 9.110 8.187 0.923 18797 5864 1 10 . 1 1 39 39 VAL N N 39 116.550 116.550 125.571 -9.021 18797 5865 1 10 . 1 1 39 39 VAL C C 39 171.720 171.720 175.387 -3.667 18797 5866 1 10 . 1 1 39 39 VAL CA C 39 59.000 59.000 62.154 -3.154 18797 5867 1 10 . 1 1 39 39 VAL CB C 39 35.610 35.610 33.049 2.561 18797 5868 1 10 . 1 1 39 39 VAL H H 39 7.980 7.980 8.352 -0.372 18797 5869 1 10 . 1 1 40 40 ILE N N 40 125.640 125.640 127.434 -1.794 18797 5870 1 10 . 1 1 40 40 ILE C C 40 171.600 171.600 175.181 -3.581 18797 5871 1 10 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.429 -0.889 18797 5872 1 10 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.182 2.948 18797 5873 1 10 . 1 1 40 40 ILE H H 40 9.160 9.160 8.467 0.693 18797 5874 1 10 . 1 1 41 41 GLY N N 41 111.830 111.830 112.951 -1.121 18797 5875 1 10 . 1 1 41 41 GLY C C 41 172.000 172.000 172.384 -0.384 18797 5876 1 10 . 1 1 41 41 GLY CA C 41 43.150 43.150 43.983 -0.832 18797 5877 1 10 . 1 1 41 41 GLY H H 41 8.930 8.930 8.557 0.373 18797 5878 1 10 . 1 1 42 42 SER N N 42 116.940 116.940 118.941 -2.001 18797 5879 1 10 . 1 1 42 42 SER C C 42 172.100 172.100 173.091 -0.991 18797 5880 1 10 . 1 1 42 42 SER CA C 42 56.220 56.220 56.214 0.006 18797 5881 1 10 . 1 1 42 42 SER CB C 42 62.920 62.920 66.790 -3.869 18797 5882 1 10 . 1 1 42 42 SER H H 42 9.190 9.190 8.779 0.411 18797 5883 1 10 . 1 1 43 43 PHE N N 43 129.230 129.230 124.707 4.523 18797 5884 1 10 . 1 1 43 43 PHE C C 43 172.920 172.920 174.252 -1.332 18797 5885 1 10 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.267 -0.306 18797 5886 1 10 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.677 -0.247 18797 5887 1 10 . 1 1 43 43 PHE H H 43 9.300 9.300 8.802 0.498 18797 5888 1 10 . 1 1 44 44 THR N N 44 126.530 126.530 125.017 1.513 18797 5889 1 10 . 1 1 44 44 THR C C 44 171.340 171.340 172.503 -1.163 18797 5890 1 10 . 1 1 44 44 THR CA C 44 60.410 60.410 61.228 -0.818 18797 5891 1 10 . 1 1 44 44 THR CB C 44 70.220 70.220 71.114 -0.894 18797 5892 1 10 . 1 1 44 44 THR H H 44 8.820 8.820 8.046 0.774 18797 5893 1 10 . 1 1 45 45 TYR N N 45 125.840 125.840 128.404 -2.564 18797 5894 1 10 . 1 1 45 45 TYR C C 45 174.000 174.000 173.830 0.170 18797 5895 1 10 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.150 -0.480 18797 5896 1 10 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.645 -1.645 18797 5897 1 10 . 1 1 45 45 TYR H H 45 8.210 8.210 8.662 -0.452 18797 5898 1 10 . 1 1 46 46 THR N N 46 117.670 117.670 123.446 -5.776 18797 5899 1 10 . 1 1 46 46 THR C C 46 171.910 171.910 172.736 -0.826 18797 5900 1 10 . 1 1 46 46 THR CA C 46 58.720 58.720 60.862 -2.143 18797 5901 1 10 . 1 1 46 46 THR CB C 46 71.710 71.710 71.120 0.591 18797 5902 1 10 . 1 1 46 46 THR H H 46 8.550 8.550 7.780 0.770 18797 5903 1 10 . 1 1 47 47 GLU N N 47 112.160 112.160 124.031 -11.871 18797 5904 1 10 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.876 -0.296 18797 5905 1 10 . 1 1 47 47 GLU CB C 47 32.670 32.670 33.811 -1.141 18797 5906 1 10 . 1 1 47 47 GLU H H 47 8.170 8.170 8.799 -0.629 18797 5907 1 10 . 1 1 49 49 SER CA C 49 58.210 58.210 58.923 -0.713 18797 5908 1 10 . 1 1 49 49 SER CB C 49 64.070 64.070 64.000 0.070 18797 5909 1 10 . 1 1 49 49 SER H H 49 174.130 174.130 8.816 165.314 18797 5910 1 10 . 1 1 50 50 ARG N N 50 124.000 124.000 121.609 2.391 18797 5911 1 10 . 1 1 50 50 ARG C C 50 176.270 176.270 176.738 -0.468 18797 5912 1 10 . 1 1 50 50 ARG CA C 50 55.960 55.960 57.618 -1.659 18797 5913 1 10 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.563 0.417 18797 5914 1 10 . 1 1 50 50 ARG H H 50 8.600 8.600 8.686 -0.086 18797 5915 1 10 . 1 1 51 51 THR N N 51 115.720 115.720 114.208 1.512 18797 5916 1 10 . 1 1 51 51 THR C C 51 174.400 174.400 173.468 0.932 18797 5917 1 10 . 1 1 51 51 THR CA C 51 61.820 61.820 59.776 2.044 18797 5918 1 10 . 1 1 51 51 THR H H 51 8.240 8.240 8.347 -0.107 18797 5919 1 10 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.112 -0.112 18797 5920 1 10 . 1 1 52 52 ALA CB C 52 18.800 18.800 17.393 1.407 18797 5921 1 10 . 1 1 52 52 ALA H H 52 175.230 175.230 8.606 166.624 18797 5922 1 10 . 1 1 53 53 SER N N 53 113.990 113.990 117.663 -3.673 18797 5923 1 10 . 1 1 53 53 SER C C 53 175.360 175.360 174.627 0.733 18797 5924 1 10 . 1 1 53 53 SER CA C 53 58.350 58.350 57.741 0.609 18797 5925 1 10 . 1 1 53 53 SER CB C 53 62.930 62.930 65.246 -2.316 18797 5926 1 10 . 1 1 53 53 SER H H 53 8.000 8.000 7.976 0.024 18797 5927 1 10 . 1 1 54 54 SER N N 54 113.510 113.510 116.852 -3.342 18797 5928 1 10 . 1 1 54 54 SER C C 54 173.880 173.880 175.855 -1.975 18797 5929 1 10 . 1 1 54 54 SER CA C 54 58.500 58.500 59.917 -1.417 18797 5930 1 10 . 1 1 54 54 SER CB C 54 62.960 62.960 63.294 -0.334 18797 5931 1 10 . 1 1 54 54 SER H H 54 8.050 8.050 8.632 -0.582 18797 5932 1 10 . 1 1 55 55 GLY N N 55 112.640 112.640 108.404 4.236 18797 5933 1 10 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.700 -0.499 18797 5934 1 10 . 1 1 55 55 GLY H H 55 8.140 8.140 8.252 -0.112 18797 5935 1 10 . 1 1 56 56 ASP CA C 56 54.100 54.100 56.907 -2.807 18797 5936 1 10 . 1 1 56 56 ASP CB C 56 41.000 41.000 40.147 0.853 18797 5937 1 10 . 1 1 56 56 ASP H H 56 175.600 175.600 8.005 167.595 18797 5938 1 10 . 1 1 57 57 TYR N N 57 121.140 121.140 117.070 4.070 18797 5939 1 10 . 1 1 57 57 TYR CA C 57 57.280 57.280 55.914 1.365 18797 5940 1 10 . 1 1 57 57 TYR CB C 57 38.400 38.400 40.716 -2.316 18797 5941 1 10 . 1 1 57 57 TYR H H 57 8.150 8.150 7.498 0.652 18797 5942 1 10 . 1 1 59 59 LYS CA C 59 55.410 55.410 58.851 -3.441 18797 5943 1 10 . 1 1 59 59 LYS CB C 59 34.220 34.220 32.919 1.301 18797 5944 1 10 . 1 1 60 60 ASN N N 60 122.740 122.740 112.158 10.582 18797 5945 1 10 . 1 1 60 60 ASN C C 60 175.260 175.260 173.859 1.401 18797 5946 1 10 . 1 1 60 60 ASN CA C 60 52.200 52.200 51.493 0.707 18797 5947 1 10 . 1 1 60 60 ASN CB C 60 40.230 40.230 41.020 -0.790 18797 5948 1 10 . 1 1 60 60 ASN H H 60 8.360 8.360 7.530 0.830 18797 5949 1 10 . 1 1 61 61 GLN N N 61 120.450 120.450 117.529 2.921 18797 5950 1 10 . 1 1 61 61 GLN C C 61 172.500 172.500 174.019 -1.519 18797 5951 1 10 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.501 0.239 18797 5952 1 10 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.459 1.381 18797 5953 1 10 . 1 1 61 61 GLN H H 61 8.530 8.530 8.408 0.122 18797 5954 1 10 . 1 1 62 62 TYR N N 62 123.620 123.620 123.358 0.262 18797 5955 1 10 . 1 1 62 62 TYR C C 62 171.430 171.430 173.579 -2.149 18797 5956 1 10 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.011 0.829 18797 5957 1 10 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.358 -2.428 18797 5958 1 10 . 1 1 62 62 TYR H H 62 8.610 8.610 8.327 0.283 18797 5959 1 10 . 1 1 63 63 TYR N N 63 123.920 123.920 128.791 -4.871 18797 5960 1 10 . 1 1 63 63 TYR C C 63 174.280 174.280 173.234 1.046 18797 5961 1 10 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.928 -1.347 18797 5962 1 10 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.065 -0.745 18797 5963 1 10 . 1 1 63 63 TYR H H 63 8.400 8.400 8.044 0.356 18797 5964 1 10 . 1 1 64 64 GLY N N 64 107.510 107.510 114.585 -7.075 18797 5965 1 10 . 1 1 64 64 GLY C C 64 174.090 174.090 171.754 2.336 18797 5966 1 10 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.785 0.785 18797 5967 1 10 . 1 1 64 64 GLY H H 64 8.760 8.760 7.997 0.763 18797 5968 1 10 . 1 1 65 65 ILE N N 65 128.470 128.470 125.538 2.932 18797 5969 1 10 . 1 1 65 65 ILE C C 65 174.350 174.350 175.118 -0.768 18797 5970 1 10 . 1 1 65 65 ILE CA C 65 59.960 59.960 60.160 -0.201 18797 5971 1 10 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.151 -0.411 18797 5972 1 10 . 1 1 65 65 ILE H H 65 8.900 8.900 8.122 0.778 18797 5973 1 10 . 1 1 66 66 THR N N 66 115.890 115.890 123.267 -7.377 18797 5974 1 10 . 1 1 66 66 THR C C 66 172.600 172.600 172.878 -0.278 18797 5975 1 10 . 1 1 66 66 THR CA C 66 58.670 58.670 60.564 -1.894 18797 5976 1 10 . 1 1 66 66 THR CB C 66 73.100 73.100 71.286 1.814 18797 5977 1 10 . 1 1 66 66 THR H H 66 8.900 8.900 8.491 0.409 18797 5978 1 10 . 1 1 67 67 ALA N N 67 119.730 119.730 125.186 -5.456 18797 5979 1 10 . 1 1 67 67 ALA C C 67 176.670 176.670 175.572 1.098 18797 5980 1 10 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.610 0.890 18797 5981 1 10 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.895 -0.835 18797 5982 1 10 . 1 1 67 67 ALA H H 67 9.370 9.370 8.769 0.601 18797 5983 1 10 . 1 1 68 68 GLY N N 68 104.240 104.240 106.933 -2.693 18797 5984 1 10 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.748 1.172 18797 5985 1 10 . 1 1 68 68 GLY H H 68 8.900 8.900 8.206 0.694 18797 5986 1 10 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.295 -0.255 18797 5987 1 10 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.917 -0.227 18797 5988 1 10 . 1 1 70 70 ALA N N 70 120.220 120.220 127.586 -7.366 18797 5989 1 10 . 1 1 70 70 ALA C C 70 175.590 175.590 175.782 -0.192 18797 5990 1 10 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.222 -1.732 18797 5991 1 10 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.993 -0.013 18797 5992 1 10 . 1 1 70 70 ALA H H 70 7.870 7.870 8.774 -0.904 18797 5993 1 10 . 1 1 71 71 TYR N N 71 126.080 126.080 123.916 2.164 18797 5994 1 10 . 1 1 71 71 TYR C C 71 174.090 174.090 174.337 -0.247 18797 5995 1 10 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.326 -1.206 18797 5996 1 10 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.409 -0.489 18797 5997 1 10 . 1 1 71 71 TYR H H 71 9.780 9.780 8.989 0.791 18797 5998 1 10 . 1 1 72 72 ARG N N 72 131.410 131.410 127.846 3.564 18797 5999 1 10 . 1 1 72 72 ARG C C 72 174.160 174.160 174.839 -0.679 18797 6000 1 10 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.225 0.795 18797 6001 1 10 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.791 -1.171 18797 6002 1 10 . 1 1 72 72 ARG H H 72 8.770 8.770 8.149 0.621 18797 6003 1 10 . 1 1 73 73 ILE N N 73 129.550 129.550 125.884 3.666 18797 6004 1 10 . 1 1 73 73 ILE C C 73 175.730 175.730 175.809 -0.079 18797 6005 1 10 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.995 1.955 18797 6006 1 10 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.062 -0.552 18797 6007 1 10 . 1 1 73 73 ILE H H 73 8.400 8.400 8.167 0.233 18797 6008 1 10 . 1 1 74 74 ASN N N 74 114.870 114.870 124.744 -9.874 18797 6009 1 10 . 1 1 74 74 ASN C C 74 174.860 174.860 175.455 -0.595 18797 6010 1 10 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.965 -3.135 18797 6011 1 10 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.508 -1.668 18797 6012 1 10 . 1 1 74 74 ASN H H 74 7.920 7.920 8.669 -0.749 18797 6013 1 10 . 1 1 75 75 ASP N N 75 113.980 113.980 118.798 -4.818 18797 6014 1 10 . 1 1 75 75 ASP C C 75 175.820 175.820 178.217 -2.397 18797 6015 1 10 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.842 3.078 18797 6016 1 10 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.632 -1.402 18797 6017 1 10 . 1 1 75 75 ASP H H 75 8.320 8.320 7.944 0.376 18797 6018 1 10 . 1 1 76 76 TRP N N 76 113.600 113.600 119.578 -5.978 18797 6019 1 10 . 1 1 76 76 TRP C C 76 176.310 176.310 174.988 1.322 18797 6020 1 10 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.151 -0.741 18797 6021 1 10 . 1 1 76 76 TRP CB C 76 31.160 31.160 27.571 3.589 18797 6022 1 10 . 1 1 76 76 TRP H H 76 7.970 7.970 8.780 -0.810 18797 6023 1 10 . 1 1 77 77 ALA N N 77 125.520 125.520 123.424 2.096 18797 6024 1 10 . 1 1 77 77 ALA C C 77 175.620 175.620 176.794 -1.174 18797 6025 1 10 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.131 0.939 18797 6026 1 10 . 1 1 77 77 ALA CB C 77 21.140 21.140 18.844 2.296 18797 6027 1 10 . 1 1 77 77 ALA H H 77 7.740 7.740 7.487 0.253 18797 6028 1 10 . 1 1 78 78 SER N N 78 114.140 114.140 116.049 -1.909 18797 6029 1 10 . 1 1 78 78 SER C C 78 170.060 170.060 173.677 -3.617 18797 6030 1 10 . 1 1 78 78 SER CA C 78 57.250 57.250 58.773 -1.523 18797 6031 1 10 . 1 1 78 78 SER CB C 78 65.320 65.320 64.501 0.818 18797 6032 1 10 . 1 1 78 78 SER H H 78 8.100 8.100 7.687 0.413 18797 6033 1 10 . 1 1 79 79 ILE N N 79 120.650 120.650 121.236 -0.586 18797 6034 1 10 . 1 1 79 79 ILE C C 79 172.470 172.470 173.662 -1.192 18797 6035 1 10 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.413 -1.963 18797 6036 1 10 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.650 0.450 18797 6037 1 10 . 1 1 79 79 ILE H H 79 8.960 8.960 8.046 0.914 18797 6038 1 10 . 1 1 80 80 TYR N N 80 120.580 120.580 126.828 -6.248 18797 6039 1 10 . 1 1 80 80 TYR C C 80 173.000 173.000 173.638 -0.638 18797 6040 1 10 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.162 0.818 18797 6041 1 10 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.444 -0.414 18797 6042 1 10 . 1 1 80 80 TYR H H 80 8.360 8.360 8.391 -0.031 18797 6043 1 10 . 1 1 81 81 GLY N N 81 106.140 106.140 109.548 -3.408 18797 6044 1 10 . 1 1 81 81 GLY C C 81 170.920 170.920 172.522 -1.602 18797 6045 1 10 . 1 1 81 81 GLY CA C 81 44.000 44.000 44.048 -0.048 18797 6046 1 10 . 1 1 81 81 GLY H H 81 8.050 8.050 8.273 -0.223 18797 6047 1 10 . 1 1 82 82 VAL N N 82 111.380 111.380 119.937 -8.557 18797 6048 1 10 . 1 1 82 82 VAL C C 82 174.370 174.370 174.054 0.316 18797 6049 1 10 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.778 -1.598 18797 6050 1 10 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.986 -0.546 18797 6051 1 10 . 1 1 82 82 VAL H H 82 8.490 8.490 8.728 -0.238 18797 6052 1 10 . 1 1 83 83 VAL N N 83 113.660 113.660 116.647 -2.987 18797 6053 1 10 . 1 1 83 83 VAL C C 83 174.680 174.680 175.089 -0.409 18797 6054 1 10 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.657 -0.567 18797 6055 1 10 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.076 0.944 18797 6056 1 10 . 1 1 83 83 VAL H H 83 8.970 8.970 8.491 0.479 18797 6057 1 10 . 1 1 84 84 GLY N N 84 108.310 108.310 110.873 -2.563 18797 6058 1 10 . 1 1 84 84 GLY C C 84 171.440 171.440 172.232 -0.792 18797 6059 1 10 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.258 2.512 18797 6060 1 10 . 1 1 84 84 GLY H H 84 8.480 8.480 8.418 0.062 18797 6061 1 10 . 1 1 85 85 VAL N N 85 122.520 122.520 119.274 3.246 18797 6062 1 10 . 1 1 85 85 VAL C C 85 172.560 172.560 174.627 -2.067 18797 6063 1 10 . 1 1 85 85 VAL CA C 85 59.170 59.170 60.173 -1.003 18797 6064 1 10 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.234 1.576 18797 6065 1 10 . 1 1 85 85 VAL H H 85 8.920 8.920 8.107 0.813 18797 6066 1 10 . 1 1 86 86 GLY N N 86 113.360 113.360 112.932 0.428 18797 6067 1 10 . 1 1 86 86 GLY C C 86 172.210 172.210 171.982 0.228 18797 6068 1 10 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.312 -0.032 18797 6069 1 10 . 1 1 86 86 GLY H H 86 8.880 8.880 8.295 0.585 18797 6070 1 10 . 1 1 87 87 TYR N N 87 123.830 123.830 122.337 1.493 18797 6071 1 10 . 1 1 87 87 TYR C C 87 174.030 174.030 175.045 -1.015 18797 6072 1 10 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.734 0.196 18797 6073 1 10 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.209 0.821 18797 6074 1 10 . 1 1 87 87 TYR H H 87 9.310 9.310 8.373 0.937 18797 6075 1 10 . 1 1 88 88 GLY N N 88 112.300 112.300 110.156 2.144 18797 6076 1 10 . 1 1 88 88 GLY C C 88 170.620 170.620 172.425 -1.805 18797 6077 1 10 . 1 1 88 88 GLY CA C 88 44.400 44.400 44.003 0.397 18797 6078 1 10 . 1 1 88 88 GLY H H 88 8.000 8.000 8.679 -0.679 18797 6079 1 10 . 1 1 89 89 LYS N N 89 122.410 122.410 124.226 -1.816 18797 6080 1 10 . 1 1 89 89 LYS CA C 89 54.480 54.480 53.184 1.296 18797 6081 1 10 . 1 1 89 89 LYS H H 89 8.230 8.230 8.171 0.059 18797 6082 1 10 . 1 1 90 90 PHE C C 90 175.190 175.190 174.402 0.788 18797 6083 1 10 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.475 -2.445 18797 6084 1 10 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.777 -1.267 18797 6085 1 10 . 1 1 91 91 GLN N N 91 122.380 122.380 125.593 -3.213 18797 6086 1 10 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.933 0.397 18797 6087 1 10 . 1 1 91 91 GLN CB C 91 29.700 29.700 29.760 -0.060 18797 6088 1 10 . 1 1 91 91 GLN H H 91 8.370 8.370 7.394 0.976 18797 6089 1 10 . 1 1 94 94 GLU N N 94 175.780 175.780 122.152 53.628 18797 6090 1 10 . 1 1 94 94 GLU CA C 94 57.030 57.030 58.907 -1.877 18797 6091 1 10 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.636 -0.176 18797 6092 1 10 . 1 1 95 95 TYR N N 95 120.240 120.240 118.258 1.982 18797 6093 1 10 . 1 1 95 95 TYR CA C 95 55.290 55.290 58.391 -3.101 18797 6094 1 10 . 1 1 95 95 TYR CB C 95 37.730 37.730 36.215 1.515 18797 6095 1 10 . 1 1 95 95 TYR H H 95 7.830 7.830 8.117 -0.287 18797 6096 1 10 . 1 1 97 97 THR CA C 97 62.210 62.210 64.629 -2.419 18797 6097 1 10 . 1 1 97 97 THR H H 97 174.320 174.320 8.284 166.036 18797 6098 1 10 . 1 1 98 98 TYR N N 98 122.540 122.540 122.644 -0.104 18797 6099 1 10 . 1 1 98 98 TYR C C 98 175.000 175.000 174.711 0.289 18797 6100 1 10 . 1 1 98 98 TYR CA C 98 57.530 57.530 57.909 -0.379 18797 6101 1 10 . 1 1 98 98 TYR CB C 98 38.350 38.350 39.354 -1.004 18797 6102 1 10 . 1 1 98 98 TYR H H 98 8.040 8.040 7.840 0.200 18797 6103 1 10 . 1 1 101 101 ASP CA C 101 54.020 54.020 56.950 -2.930 18797 6104 1 10 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.596 -1.896 18797 6105 1 10 . 1 1 101 101 ASP H H 101 176.040 176.040 8.449 167.591 18797 6106 1 10 . 1 1 102 102 THR N N 102 117.650 117.650 107.740 9.910 18797 6107 1 10 . 1 1 102 102 THR C C 102 173.840 173.840 172.875 0.965 18797 6108 1 10 . 1 1 102 102 THR CA C 102 61.590 61.590 61.117 0.473 18797 6109 1 10 . 1 1 102 102 THR CB C 102 69.970 69.970 71.536 -1.566 18797 6110 1 10 . 1 1 102 102 THR H H 102 8.520 8.520 7.826 0.694 18797 6111 1 10 . 1 1 103 103 SER N N 103 119.470 119.470 117.623 1.847 18797 6112 1 10 . 1 1 103 103 SER C C 103 173.580 173.580 172.776 0.804 18797 6113 1 10 . 1 1 103 103 SER CA C 103 57.310 57.310 57.748 -0.438 18797 6114 1 10 . 1 1 103 103 SER H H 103 8.240 8.240 8.461 -0.221 18797 6115 1 10 . 1 1 104 104 ASP N N 104 122.250 122.250 122.277 -0.027 18797 6116 1 10 . 1 1 104 104 ASP C C 104 173.100 173.100 174.126 -1.026 18797 6117 1 10 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.801 -0.202 18797 6118 1 10 . 1 1 104 104 ASP CB C 104 44.060 44.060 43.596 0.464 18797 6119 1 10 . 1 1 104 104 ASP H H 104 8.270 8.270 8.093 0.177 18797 6120 1 10 . 1 1 105 105 TYR N N 105 116.040 116.040 121.278 -5.238 18797 6121 1 10 . 1 1 105 105 TYR C C 105 175.860 175.860 175.689 0.171 18797 6122 1 10 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.572 -1.022 18797 6123 1 10 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.151 0.479 18797 6124 1 10 . 1 1 105 105 TYR H H 105 8.560 8.560 8.445 0.115 18797 6125 1 10 . 1 1 106 106 GLY N N 106 108.500 108.500 108.294 0.206 18797 6126 1 10 . 1 1 106 106 GLY C C 106 172.030 172.030 171.703 0.327 18797 6127 1 10 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.202 0.288 18797 6128 1 10 . 1 1 106 106 GLY H H 106 9.190 9.190 8.306 0.884 18797 6129 1 10 . 1 1 107 107 PHE N N 107 121.420 121.420 119.224 2.196 18797 6130 1 10 . 1 1 107 107 PHE C C 107 175.430 175.430 175.154 0.276 18797 6131 1 10 . 1 1 107 107 PHE CA C 107 57.540 57.540 57.016 0.524 18797 6132 1 10 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.598 -1.398 18797 6133 1 10 . 1 1 107 107 PHE H H 107 8.860 8.860 8.654 0.206 18797 6134 1 10 . 1 1 108 108 SER N N 108 123.250 123.250 118.366 4.884 18797 6135 1 10 . 1 1 108 108 SER C C 108 171.430 171.430 173.108 -1.678 18797 6136 1 10 . 1 1 108 108 SER CA C 108 56.100 56.100 57.336 -1.236 18797 6137 1 10 . 1 1 108 108 SER CB C 108 65.720 65.720 65.343 0.378 18797 6138 1 10 . 1 1 108 108 SER H H 108 8.110 8.110 8.486 -0.376 18797 6139 1 10 . 1 1 109 109 TYR N N 109 117.840 117.840 122.225 -4.385 18797 6140 1 10 . 1 1 109 109 TYR C C 109 173.560 173.560 175.083 -1.523 18797 6141 1 10 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.230 -0.910 18797 6142 1 10 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.470 -2.910 18797 6143 1 10 . 1 1 109 109 TYR H H 109 8.480 8.480 8.560 -0.080 18797 6144 1 10 . 1 1 110 110 GLY N N 110 106.400 106.400 108.182 -1.782 18797 6145 1 10 . 1 1 110 110 GLY C C 110 171.350 171.350 171.645 -0.295 18797 6146 1 10 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.018 2.142 18797 6147 1 10 . 1 1 110 110 GLY H H 110 8.980 8.980 8.800 0.180 18797 6148 1 10 . 1 1 111 111 ALA N N 111 119.140 119.140 121.843 -2.703 18797 6149 1 10 . 1 1 111 111 ALA C C 111 174.640 174.640 174.972 -0.332 18797 6150 1 10 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.370 0.600 18797 6151 1 10 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.882 -0.732 18797 6152 1 10 . 1 1 111 111 ALA H H 111 8.390 8.390 8.154 0.236 18797 6153 1 10 . 1 1 112 112 GLY N N 112 106.070 106.070 106.512 -0.442 18797 6154 1 10 . 1 1 112 112 GLY C C 112 169.770 169.770 171.549 -1.779 18797 6155 1 10 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.554 0.716 18797 6156 1 10 . 1 1 112 112 GLY H H 112 7.820 7.820 7.457 0.363 18797 6157 1 10 . 1 1 113 113 LEU N N 113 116.370 116.370 120.410 -4.040 18797 6158 1 10 . 1 1 113 113 LEU C C 113 175.090 175.090 176.074 -0.984 18797 6159 1 10 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.902 -1.212 18797 6160 1 10 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.719 0.841 18797 6161 1 10 . 1 1 113 113 LEU H H 113 8.930 8.930 8.379 0.551 18797 6162 1 10 . 1 1 114 114 GLN N N 114 115.860 115.860 118.664 -2.804 18797 6163 1 10 . 1 1 114 114 GLN C C 114 176.910 176.910 174.581 2.329 18797 6164 1 10 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.656 -0.926 18797 6165 1 10 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.332 -0.042 18797 6166 1 10 . 1 1 114 114 GLN H H 114 7.860 7.860 8.824 -0.964 18797 6167 1 10 . 1 1 115 115 PHE N N 115 126.580 126.580 123.748 2.832 18797 6168 1 10 . 1 1 115 115 PHE C C 115 175.740 175.740 173.306 2.434 18797 6169 1 10 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.222 -2.022 18797 6170 1 10 . 1 1 115 115 PHE CB C 115 43.370 43.370 42.330 1.040 18797 6171 1 10 . 1 1 115 115 PHE H H 115 9.750 9.750 8.550 1.200 18797 6172 1 10 . 1 1 116 116 ASN N N 116 119.920 119.920 126.508 -6.588 18797 6173 1 10 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.943 0.257 18797 6174 1 10 . 1 1 116 116 ASN CB C 116 40.650 40.650 41.151 -0.501 18797 6175 1 10 . 1 1 116 116 ASN H H 116 9.450 9.450 8.304 1.146 18797 6176 1 10 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.634 2.066 18797 6177 1 10 . 1 1 118 118 MET N N 118 110.530 110.530 118.468 -7.938 18797 6178 1 10 . 1 1 118 118 MET C C 118 176.130 176.130 176.711 -0.581 18797 6179 1 10 . 1 1 118 118 MET CA C 118 53.980 53.980 57.002 -3.022 18797 6180 1 10 . 1 1 118 118 MET CB C 118 36.310 36.310 32.753 3.557 18797 6181 1 10 . 1 1 118 118 MET H H 118 7.310 7.310 8.105 -0.795 18797 6182 1 10 . 1 1 119 119 GLU N N 119 120.320 120.320 115.666 4.654 18797 6183 1 10 . 1 1 119 119 GLU C C 119 176.810 176.810 177.375 -0.565 18797 6184 1 10 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.450 2.150 18797 6185 1 10 . 1 1 119 119 GLU CB C 119 29.150 29.150 28.763 0.387 18797 6186 1 10 . 1 1 119 119 GLU H H 119 9.120 9.120 8.706 0.414 18797 6187 1 10 . 1 1 120 120 ASN N N 120 112.490 112.490 117.323 -4.833 18797 6188 1 10 . 1 1 120 120 ASN C C 120 174.080 174.080 176.392 -2.312 18797 6189 1 10 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.161 -1.761 18797 6190 1 10 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.163 0.667 18797 6191 1 10 . 1 1 120 120 ASN H H 120 8.430 8.430 8.889 -0.459 18797 6192 1 10 . 1 1 121 121 VAL N N 121 117.760 117.760 118.602 -0.842 18797 6193 1 10 . 1 1 121 121 VAL C C 121 174.750 174.750 175.257 -0.507 18797 6194 1 10 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.129 -1.439 18797 6195 1 10 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.984 4.916 18797 6196 1 10 . 1 1 121 121 VAL H H 121 7.500 7.500 7.217 0.283 18797 6197 1 10 . 1 1 122 122 ALA N N 122 127.190 127.190 122.921 4.269 18797 6198 1 10 . 1 1 122 122 ALA C C 122 175.140 175.140 175.396 -0.256 18797 6199 1 10 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.686 -1.296 18797 6200 1 10 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.741 1.079 18797 6201 1 10 . 1 1 122 122 ALA H H 122 8.230 8.230 7.203 1.027 18797 6202 1 10 . 1 1 123 123 LEU N N 123 120.270 120.270 122.309 -2.039 18797 6203 1 10 . 1 1 123 123 LEU C C 123 174.310 174.310 175.409 -1.099 18797 6204 1 10 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.413 0.247 18797 6205 1 10 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.008 -1.498 18797 6206 1 10 . 1 1 123 123 LEU H H 123 8.910 8.910 8.224 0.686 18797 6207 1 10 . 1 1 124 124 ASP N N 124 127.350 127.350 120.329 7.021 18797 6208 1 10 . 1 1 124 124 ASP C C 124 171.830 171.830 174.422 -2.592 18797 6209 1 10 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.427 1.393 18797 6210 1 10 . 1 1 124 124 ASP CB C 124 47.490 47.490 45.105 2.385 18797 6211 1 10 . 1 1 124 124 ASP H H 124 8.580 8.580 8.173 0.407 18797 6212 1 10 . 1 1 125 125 PHE N N 125 123.390 123.390 122.779 0.611 18797 6213 1 10 . 1 1 125 125 PHE C C 125 174.130 174.130 174.829 -0.699 18797 6214 1 10 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.546 -0.886 18797 6215 1 10 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.216 -0.516 18797 6216 1 10 . 1 1 125 125 PHE H H 125 8.670 8.670 8.469 0.201 18797 6217 1 10 . 1 1 126 126 SER N N 126 118.680 118.680 117.087 1.593 18797 6218 1 10 . 1 1 126 126 SER C C 126 169.980 169.980 172.347 -2.367 18797 6219 1 10 . 1 1 126 126 SER CA C 126 58.120 58.120 57.090 1.030 18797 6220 1 10 . 1 1 126 126 SER CB C 126 66.950 66.950 66.526 0.424 18797 6221 1 10 . 1 1 126 126 SER H H 126 9.390 9.390 8.756 0.634 18797 6222 1 10 . 1 1 127 127 TYR N N 127 119.080 119.080 123.711 -4.631 18797 6223 1 10 . 1 1 127 127 TYR C C 127 174.390 174.390 173.394 0.996 18797 6224 1 10 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.462 -1.022 18797 6225 1 10 . 1 1 127 127 TYR CB C 127 43.100 43.100 43.136 -0.036 18797 6226 1 10 . 1 1 127 127 TYR H H 127 8.610 8.610 8.843 -0.233 18797 6227 1 10 . 1 1 128 128 GLU N N 128 130.070 130.070 125.638 4.432 18797 6228 1 10 . 1 1 128 128 GLU C C 128 172.590 172.590 174.224 -1.634 18797 6229 1 10 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.165 -0.035 18797 6230 1 10 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.931 -0.431 18797 6231 1 10 . 1 1 128 128 GLU H H 128 8.510 8.510 8.218 0.292 18797 6232 1 10 . 1 1 129 129 GLN N N 129 128.670 128.670 126.203 2.467 18797 6233 1 10 . 1 1 129 129 GLN C C 129 173.690 173.690 174.856 -1.166 18797 6234 1 10 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.268 -1.058 18797 6235 1 10 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.895 -1.845 18797 6236 1 10 . 1 1 129 129 GLN H H 129 9.330 9.330 8.985 0.345 18797 6237 1 10 . 1 1 130 130 SER N N 130 118.630 118.630 122.129 -3.499 18797 6238 1 10 . 1 1 130 130 SER C C 130 174.210 174.210 174.144 0.066 18797 6239 1 10 . 1 1 130 130 SER CA C 130 56.450 56.450 57.099 -0.649 18797 6240 1 10 . 1 1 130 130 SER CB C 130 66.260 66.260 65.761 0.499 18797 6241 1 10 . 1 1 130 130 SER H H 130 8.580 8.580 8.149 0.431 18797 6242 1 10 . 1 1 131 131 ARG N N 131 126.850 126.850 123.419 3.431 18797 6243 1 10 . 1 1 131 131 ARG C C 131 174.740 174.740 176.264 -1.524 18797 6244 1 10 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.743 -0.403 18797 6245 1 10 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.558 -0.648 18797 6246 1 10 . 1 1 131 131 ARG H H 131 7.690 7.690 8.951 -1.261 18797 6247 1 10 . 1 1 132 132 ILE N N 132 129.470 129.470 124.858 4.612 18797 6248 1 10 . 1 1 132 132 ILE C C 132 175.500 175.500 175.377 0.123 18797 6249 1 10 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.193 -2.303 18797 6250 1 10 . 1 1 132 132 ILE CB C 132 38.320 38.320 38.087 0.233 18797 6251 1 10 . 1 1 132 132 ILE H H 132 8.730 8.730 8.624 0.106 18797 6252 1 10 . 1 1 133 133 ARG N N 133 127.220 127.220 129.259 -2.039 18797 6253 1 10 . 1 1 133 133 ARG CA C 133 58.110 58.110 54.696 3.414 18797 6254 1 10 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.541 -3.221 18797 6255 1 10 . 1 1 133 133 ARG H H 133 9.400 9.400 8.311 1.089 18797 6256 1 10 . 1 1 134 134 SER C C 134 173.290 173.290 173.889 -0.599 18797 6257 1 10 . 1 1 134 134 SER CA C 134 58.490 58.490 59.986 -1.496 18797 6258 1 10 . 1 1 134 134 SER CB C 134 62.860 62.860 63.244 -0.384 18797 6259 1 10 . 1 1 135 135 VAL N N 135 124.810 124.810 121.602 3.208 18797 6260 1 10 . 1 1 135 135 VAL C C 135 174.650 174.650 173.691 0.959 18797 6261 1 10 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.229 0.641 18797 6262 1 10 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.185 -2.125 18797 6263 1 10 . 1 1 135 135 VAL H H 135 8.270 8.270 7.292 0.978 18797 6264 1 10 . 1 1 136 136 ASP N N 136 127.750 127.750 128.084 -0.334 18797 6265 1 10 . 1 1 136 136 ASP C C 136 175.130 175.130 175.367 -0.237 18797 6266 1 10 . 1 1 136 136 ASP CA C 136 54.220 54.220 53.128 1.092 18797 6267 1 10 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.892 -2.142 18797 6268 1 10 . 1 1 136 136 ASP H H 136 8.010 8.010 8.498 -0.488 18797 6269 1 10 . 1 1 137 137 VAL N N 137 124.520 124.520 124.799 -0.279 18797 6270 1 10 . 1 1 137 137 VAL C C 137 174.690 174.690 175.178 -0.488 18797 6271 1 10 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.070 -0.620 18797 6272 1 10 . 1 1 137 137 VAL CB C 137 32.800 32.800 32.929 -0.129 18797 6273 1 10 . 1 1 137 137 VAL H H 137 8.720 8.720 7.801 0.919 18797 6274 1 10 . 1 1 138 138 GLY N N 138 116.920 116.920 115.053 1.867 18797 6275 1 10 . 1 1 138 138 GLY C C 138 172.930 172.930 173.054 -0.124 18797 6276 1 10 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.245 0.235 18797 6277 1 10 . 1 1 138 138 GLY H H 138 8.240 8.240 8.514 -0.274 18797 6278 1 10 . 1 1 139 139 THR N N 139 125.070 125.070 122.171 2.899 18797 6279 1 10 . 1 1 139 139 THR C C 139 171.920 171.920 173.286 -1.366 18797 6280 1 10 . 1 1 139 139 THR CA C 139 60.890 60.890 61.145 -0.256 18797 6281 1 10 . 1 1 139 139 THR CB C 139 70.290 70.290 71.276 -0.986 18797 6282 1 10 . 1 1 139 139 THR H H 139 8.710 8.710 7.666 1.044 18797 6283 1 10 . 1 1 140 140 TRP N N 140 125.840 125.840 126.056 -0.216 18797 6284 1 10 . 1 1 140 140 TRP C C 140 175.070 175.070 173.463 1.607 18797 6285 1 10 . 1 1 140 140 TRP CA C 140 55.130 55.130 54.649 0.481 18797 6286 1 10 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.086 0.014 18797 6287 1 10 . 1 1 140 140 TRP H H 140 8.330 8.330 8.361 -0.031 18797 6288 1 10 . 1 1 141 141 ILE N N 141 123.240 123.240 123.306 -0.066 18797 6289 1 10 . 1 1 141 141 ILE C C 141 174.870 174.870 173.436 1.434 18797 6290 1 10 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.080 1.310 18797 6291 1 10 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.373 -1.744 18797 6292 1 10 . 1 1 141 141 ILE H H 141 8.980 8.980 8.849 0.131 18797 6293 1 10 . 1 1 142 142 ALA N N 142 127.680 127.680 128.678 -0.998 18797 6294 1 10 . 1 1 142 142 ALA C C 142 175.700 175.700 175.665 0.035 18797 6295 1 10 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.041 0.489 18797 6296 1 10 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.599 -0.389 18797 6297 1 10 . 1 1 142 142 ALA H H 142 8.350 8.350 8.320 0.030 18797 6298 1 10 . 1 1 143 143 GLY N N 143 109.030 109.030 109.289 -0.259 18797 6299 1 10 . 1 1 143 143 GLY C C 143 172.090 172.090 171.707 0.383 18797 6300 1 10 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.385 1.045 18797 6301 1 10 . 1 1 143 143 GLY H H 143 9.520 9.520 8.227 1.293 18797 6302 1 10 . 1 1 144 144 VAL N N 144 114.110 114.110 120.377 -6.267 18797 6303 1 10 . 1 1 144 144 VAL C C 144 174.010 174.010 175.219 -1.209 18797 6304 1 10 . 1 1 144 144 VAL CA C 144 58.270 58.270 60.637 -2.367 18797 6305 1 10 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.974 0.517 18797 6306 1 10 . 1 1 144 144 VAL H H 144 8.750 8.750 8.471 0.279 18797 6307 1 10 . 1 1 145 145 GLY N N 145 107.360 107.360 112.654 -5.294 18797 6308 1 10 . 1 1 145 145 GLY C C 145 171.210 171.210 171.441 -0.231 18797 6309 1 10 . 1 1 145 145 GLY CA C 145 46.770 46.770 43.709 3.061 18797 6310 1 10 . 1 1 145 145 GLY H H 145 8.590 8.590 8.627 -0.037 18797 6311 1 10 . 1 1 146 146 TYR N N 146 121.960 121.960 120.281 1.679 18797 6312 1 10 . 1 1 146 146 TYR C C 146 172.440 172.440 173.367 -0.927 18797 6313 1 10 . 1 1 146 146 TYR CA C 146 55.250 55.250 56.169 -0.919 18797 6314 1 10 . 1 1 146 146 TYR CB C 146 44.270 44.270 42.782 1.488 18797 6315 1 10 . 1 1 146 146 TYR H H 146 8.370 8.370 8.326 0.044 18797 6316 1 10 . 1 1 147 147 ARG N N 147 129.590 129.590 122.028 7.562 18797 6317 1 10 . 1 1 147 147 ARG C C 147 173.850 173.850 173.855 -0.005 18797 6318 1 10 . 1 1 147 147 ARG CA C 147 53.360 53.360 53.947 -0.587 18797 6319 1 10 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.812 -1.392 18797 6320 1 10 . 1 1 147 147 ARG H H 147 7.690 7.690 7.069 0.621 18797 6321 1 11 . 1 1 2 2 THR N N 2 114.280 114.280 113.744 0.536 18797 6322 1 11 . 1 1 2 2 THR C C 2 173.570 173.570 173.416 0.154 18797 6323 1 11 . 1 1 2 2 THR CA C 2 61.040 61.040 61.113 -0.073 18797 6324 1 11 . 1 1 2 2 THR CB C 2 71.930 71.930 70.436 1.494 18797 6325 1 11 . 1 1 2 2 THR H H 2 8.490 8.490 8.232 0.258 18797 6326 1 11 . 1 1 3 3 SER N N 3 122.430 122.430 119.754 2.676 18797 6327 1 11 . 1 1 3 3 SER C C 3 172.590 172.590 172.640 -0.050 18797 6328 1 11 . 1 1 3 3 SER CA C 3 56.760 56.760 57.788 -1.028 18797 6329 1 11 . 1 1 3 3 SER CB C 3 65.480 65.480 66.187 -0.707 18797 6330 1 11 . 1 1 3 3 SER H H 3 9.000 9.000 8.444 0.556 18797 6331 1 11 . 1 1 4 4 THR N N 4 117.240 117.240 117.377 -0.137 18797 6332 1 11 . 1 1 4 4 THR C C 4 174.640 174.640 172.848 1.792 18797 6333 1 11 . 1 1 4 4 THR CA C 4 61.390 61.390 61.660 -0.270 18797 6334 1 11 . 1 1 4 4 THR CB C 4 70.680 70.680 71.954 -1.274 18797 6335 1 11 . 1 1 4 4 THR H H 4 8.610 8.610 7.915 0.695 18797 6336 1 11 . 1 1 5 5 VAL N N 5 129.440 129.440 126.808 2.632 18797 6337 1 11 . 1 1 5 5 VAL C C 5 174.770 174.770 174.620 0.150 18797 6338 1 11 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.984 -1.224 18797 6339 1 11 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.505 -0.015 18797 6340 1 11 . 1 1 5 5 VAL H H 5 8.750 8.750 8.069 0.681 18797 6341 1 11 . 1 1 6 6 THR N N 6 116.430 116.430 123.281 -6.851 18797 6342 1 11 . 1 1 6 6 THR C C 6 172.930 172.930 173.424 -0.494 18797 6343 1 11 . 1 1 6 6 THR CA C 6 58.590 58.590 60.769 -2.179 18797 6344 1 11 . 1 1 6 6 THR CB C 6 70.930 70.930 71.939 -1.009 18797 6345 1 11 . 1 1 6 6 THR H H 6 8.890 8.890 8.023 0.867 18797 6346 1 11 . 1 1 7 7 GLY N N 7 105.590 105.590 110.624 -5.034 18797 6347 1 11 . 1 1 7 7 GLY C C 7 172.430 172.430 171.770 0.660 18797 6348 1 11 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.632 0.688 18797 6349 1 11 . 1 1 7 7 GLY H H 7 8.760 8.760 8.348 0.412 18797 6350 1 11 . 1 1 8 8 GLY N N 8 106.530 106.530 109.061 -2.531 18797 6351 1 11 . 1 1 8 8 GLY C C 8 173.030 173.030 171.515 1.515 18797 6352 1 11 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.598 1.332 18797 6353 1 11 . 1 1 8 8 GLY H H 8 9.100 9.100 7.549 1.551 18797 6354 1 11 . 1 1 9 9 TYR N N 9 121.730 121.730 118.176 3.554 18797 6355 1 11 . 1 1 9 9 TYR C C 9 172.390 172.390 174.213 -1.823 18797 6356 1 11 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.211 0.629 18797 6357 1 11 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.594 -1.514 18797 6358 1 11 . 1 1 9 9 TYR H H 9 8.410 8.410 8.130 0.280 18797 6359 1 11 . 1 1 10 10 ALA N N 10 128.460 128.460 123.050 5.410 18797 6360 1 11 . 1 1 10 10 ALA C C 10 174.020 174.020 175.815 -1.795 18797 6361 1 11 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.575 -1.365 18797 6362 1 11 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.285 -0.066 18797 6363 1 11 . 1 1 10 10 ALA H H 10 6.910 6.910 9.117 -2.207 18797 6364 1 11 . 1 1 11 11 GLN N N 11 118.830 118.830 122.349 -3.519 18797 6365 1 11 . 1 1 11 11 GLN C C 11 175.650 175.650 175.221 0.429 18797 6366 1 11 . 1 1 11 11 GLN CA C 11 53.830 53.830 54.231 -0.401 18797 6367 1 11 . 1 1 11 11 GLN CB C 11 32.060 32.060 33.062 -1.002 18797 6368 1 11 . 1 1 11 11 GLN H H 11 8.100 8.100 8.570 -0.470 18797 6369 1 11 . 1 1 12 12 SER N N 12 124.200 124.200 119.455 4.745 18797 6370 1 11 . 1 1 12 12 SER C C 12 172.710 172.710 173.949 -1.239 18797 6371 1 11 . 1 1 12 12 SER CA C 12 57.190 57.190 56.983 0.207 18797 6372 1 11 . 1 1 12 12 SER CB C 12 64.180 64.180 65.498 -1.318 18797 6373 1 11 . 1 1 12 12 SER H H 12 9.160 9.160 8.499 0.661 18797 6374 1 11 . 1 1 13 13 ASP N N 13 124.950 124.950 124.321 0.629 18797 6375 1 11 . 1 1 13 13 ASP C C 13 174.860 174.860 175.486 -0.626 18797 6376 1 11 . 1 1 13 13 ASP CA C 13 52.960 52.960 54.425 -1.465 18797 6377 1 11 . 1 1 13 13 ASP CB C 13 42.920 42.920 41.889 1.031 18797 6378 1 11 . 1 1 13 13 ASP H H 13 9.070 9.070 8.234 0.836 18797 6379 1 11 . 1 1 14 14 ALA N N 14 128.730 128.730 126.261 2.469 18797 6380 1 11 . 1 1 14 14 ALA C C 14 176.230 176.230 176.939 -0.709 18797 6381 1 11 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.676 -1.866 18797 6382 1 11 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.564 -1.065 18797 6383 1 11 . 1 1 14 14 ALA H H 14 8.560 8.560 8.116 0.444 18797 6384 1 11 . 1 1 15 15 GLN N N 15 122.750 122.750 121.664 1.086 18797 6385 1 11 . 1 1 15 15 GLN C C 15 176.660 176.660 176.256 0.404 18797 6386 1 11 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.920 2.200 18797 6387 1 11 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.244 -2.084 18797 6388 1 11 . 1 1 15 15 GLN H H 15 8.340 8.340 8.590 -0.250 18797 6389 1 11 . 1 1 16 16 GLY N N 16 112.800 112.800 108.424 4.376 18797 6390 1 11 . 1 1 16 16 GLY C C 16 174.400 174.400 173.969 0.431 18797 6391 1 11 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.429 -0.249 18797 6392 1 11 . 1 1 16 16 GLY H H 16 8.650 8.650 8.325 0.325 18797 6393 1 11 . 1 1 17 17 GLN N N 17 119.300 119.300 118.106 1.194 18797 6394 1 11 . 1 1 17 17 GLN C C 17 175.720 175.720 174.998 0.722 18797 6395 1 11 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.805 -2.205 18797 6396 1 11 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.617 5.183 18797 6397 1 11 . 1 1 17 17 GLN H H 17 8.080 8.080 8.809 -0.729 18797 6398 1 11 . 1 1 18 18 MET N N 18 120.170 120.170 116.255 3.915 18797 6399 1 11 . 1 1 18 18 MET C C 18 175.400 175.400 174.617 0.783 18797 6400 1 11 . 1 1 18 18 MET CA C 18 55.980 55.980 54.084 1.896 18797 6401 1 11 . 1 1 18 18 MET CB C 18 35.590 35.590 35.993 -0.403 18797 6402 1 11 . 1 1 18 18 MET H H 18 8.370 8.370 7.672 0.698 18797 6403 1 11 . 1 1 19 19 ASN N N 19 117.900 117.900 119.466 -1.566 18797 6404 1 11 . 1 1 19 19 ASN C C 19 174.400 174.400 174.738 -0.338 18797 6405 1 11 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.256 0.044 18797 6406 1 11 . 1 1 19 19 ASN CB C 19 39.400 39.400 40.071 -0.671 18797 6407 1 11 . 1 1 19 19 ASN H H 19 7.990 7.990 8.427 -0.437 18797 6408 1 11 . 1 1 20 20 LYS N N 20 120.800 120.800 121.756 -0.956 18797 6409 1 11 . 1 1 20 20 LYS C C 20 176.410 176.410 175.731 0.679 18797 6410 1 11 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.826 -1.126 18797 6411 1 11 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.237 -1.337 18797 6412 1 11 . 1 1 20 20 LYS H H 20 8.340 8.340 8.456 -0.116 18797 6413 1 11 . 1 1 21 21 MET N N 21 120.500 120.500 118.502 1.998 18797 6414 1 11 . 1 1 21 21 MET C C 21 175.270 175.270 175.669 -0.399 18797 6415 1 11 . 1 1 21 21 MET CA C 21 54.800 54.800 54.744 0.056 18797 6416 1 11 . 1 1 21 21 MET CB C 21 34.730 34.730 36.531 -1.801 18797 6417 1 11 . 1 1 21 21 MET H H 21 8.580 8.580 7.768 0.812 18797 6418 1 11 . 1 1 22 22 GLY N N 22 111.280 111.280 108.565 2.715 18797 6419 1 11 . 1 1 22 22 GLY C C 22 174.030 174.030 172.337 1.693 18797 6420 1 11 . 1 1 22 22 GLY CA C 22 43.810 43.810 44.068 -0.258 18797 6421 1 11 . 1 1 22 22 GLY H H 22 8.430 8.430 8.236 0.194 18797 6422 1 11 . 1 1 23 23 GLY N N 23 120.170 120.170 110.460 9.710 18797 6423 1 11 . 1 1 23 23 GLY C C 23 171.850 171.850 171.479 0.371 18797 6424 1 11 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.754 2.396 18797 6425 1 11 . 1 1 23 23 GLY H H 23 8.180 8.180 8.336 -0.156 18797 6426 1 11 . 1 1 24 24 PHE N N 24 121.370 121.370 122.721 -1.351 18797 6427 1 11 . 1 1 24 24 PHE C C 24 171.570 171.570 173.225 -1.655 18797 6428 1 11 . 1 1 24 24 PHE CA C 24 54.730 54.730 55.412 -0.682 18797 6429 1 11 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.925 0.585 18797 6430 1 11 . 1 1 24 24 PHE H H 24 9.230 9.230 7.963 1.267 18797 6431 1 11 . 1 1 25 25 ASN N N 25 118.950 118.950 122.957 -4.007 18797 6432 1 11 . 1 1 25 25 ASN C C 25 172.080 172.080 173.293 -1.213 18797 6433 1 11 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.402 -0.532 18797 6434 1 11 . 1 1 25 25 ASN CB C 25 46.450 46.450 41.575 4.875 18797 6435 1 11 . 1 1 25 25 ASN H H 25 8.520 8.520 7.610 0.910 18797 6436 1 11 . 1 1 26 26 LEU N N 26 126.150 126.150 121.084 5.066 18797 6437 1 11 . 1 1 26 26 LEU C C 26 175.620 175.620 175.917 -0.297 18797 6438 1 11 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.553 -0.063 18797 6439 1 11 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.511 1.119 18797 6440 1 11 . 1 1 26 26 LEU H H 26 9.340 9.340 8.313 1.027 18797 6441 1 11 . 1 1 27 27 LYS N N 27 117.980 117.980 119.837 -1.857 18797 6442 1 11 . 1 1 27 27 LYS C C 27 175.120 175.120 175.155 -0.035 18797 6443 1 11 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.518 0.672 18797 6444 1 11 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.374 0.195 18797 6445 1 11 . 1 1 27 27 LYS H H 27 8.850 8.850 8.114 0.736 18797 6446 1 11 . 1 1 28 28 TYR N N 28 120.820 120.820 121.221 -0.401 18797 6447 1 11 . 1 1 28 28 TYR C C 28 172.480 172.480 175.094 -2.614 18797 6448 1 11 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.136 0.144 18797 6449 1 11 . 1 1 28 28 TYR CB C 28 41.900 41.900 41.370 0.530 18797 6450 1 11 . 1 1 28 28 TYR H H 28 8.430 8.430 8.610 -0.180 18797 6451 1 11 . 1 1 29 29 ARG N N 29 129.660 129.660 120.852 8.808 18797 6452 1 11 . 1 1 29 29 ARG C C 29 172.780 172.780 174.614 -1.834 18797 6453 1 11 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.099 -1.099 18797 6454 1 11 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.837 -0.827 18797 6455 1 11 . 1 1 29 29 ARG H H 29 8.670 8.670 7.974 0.696 18797 6456 1 11 . 1 1 30 30 TYR N N 30 127.210 127.210 120.907 6.303 18797 6457 1 11 . 1 1 30 30 TYR C C 30 175.000 175.000 174.977 0.023 18797 6458 1 11 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.904 -0.074 18797 6459 1 11 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.662 1.478 18797 6460 1 11 . 1 1 30 30 TYR H H 30 8.930 8.930 8.154 0.776 18797 6461 1 11 . 1 1 31 31 GLU N N 31 128.090 128.090 122.473 5.617 18797 6462 1 11 . 1 1 31 31 GLU C C 31 174.250 174.250 175.954 -1.704 18797 6463 1 11 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.578 -0.947 18797 6464 1 11 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.200 2.290 18797 6465 1 11 . 1 1 31 31 GLU H H 31 8.170 8.170 8.603 -0.433 18797 6466 1 11 . 1 1 32 32 GLU N N 32 122.610 122.610 124.137 -1.527 18797 6467 1 11 . 1 1 32 32 GLU C C 32 176.920 176.920 175.300 1.620 18797 6468 1 11 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.876 -0.306 18797 6469 1 11 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.325 -1.555 18797 6470 1 11 . 1 1 32 32 GLU H H 32 9.120 9.120 8.575 0.545 18797 6471 1 11 . 1 1 33 33 ASP N N 33 121.920 121.920 120.811 1.109 18797 6472 1 11 . 1 1 33 33 ASP C C 33 176.990 176.990 176.359 0.631 18797 6473 1 11 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.887 1.983 18797 6474 1 11 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.765 -1.495 18797 6475 1 11 . 1 1 33 33 ASP H H 33 8.600 8.600 8.427 0.173 18797 6476 1 11 . 1 1 34 34 ASN N N 34 115.300 115.300 117.268 -1.968 18797 6477 1 11 . 1 1 34 34 ASN C C 34 174.280 174.280 175.830 -1.550 18797 6478 1 11 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.122 -1.762 18797 6479 1 11 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.627 -0.677 18797 6480 1 11 . 1 1 34 34 ASN H H 34 8.420 8.420 8.519 -0.099 18797 6481 1 11 . 1 1 35 35 SER N N 35 112.970 112.970 113.174 -0.204 18797 6482 1 11 . 1 1 35 35 SER CA C 35 54.260 54.260 58.681 -4.420 18797 6483 1 11 . 1 1 35 35 SER CB C 35 64.920 64.920 63.331 1.589 18797 6484 1 11 . 1 1 35 35 SER H H 35 7.270 7.270 7.966 -0.696 18797 6485 1 11 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.290 1.070 18797 6486 1 11 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.701 -1.231 18797 6487 1 11 . 1 1 37 37 LEU N N 37 123.000 123.000 122.793 0.207 18797 6488 1 11 . 1 1 37 37 LEU C C 37 176.300 176.300 177.667 -1.367 18797 6489 1 11 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.406 -0.566 18797 6490 1 11 . 1 1 37 37 LEU CB C 37 43.690 43.690 43.154 0.536 18797 6491 1 11 . 1 1 37 37 LEU H H 37 7.910 7.910 8.503 -0.593 18797 6492 1 11 . 1 1 38 38 GLY N N 38 117.320 117.320 109.883 7.437 18797 6493 1 11 . 1 1 38 38 GLY C C 38 172.340 172.340 173.254 -0.914 18797 6494 1 11 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.244 0.186 18797 6495 1 11 . 1 1 38 38 GLY H H 38 9.110 9.110 8.190 0.920 18797 6496 1 11 . 1 1 39 39 VAL N N 39 116.550 116.550 125.238 -8.688 18797 6497 1 11 . 1 1 39 39 VAL C C 39 171.720 171.720 175.112 -3.392 18797 6498 1 11 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.723 -2.723 18797 6499 1 11 . 1 1 39 39 VAL CB C 39 35.610 35.610 33.184 2.426 18797 6500 1 11 . 1 1 39 39 VAL H H 39 7.980 7.980 8.589 -0.609 18797 6501 1 11 . 1 1 40 40 ILE N N 40 125.640 125.640 127.748 -2.108 18797 6502 1 11 . 1 1 40 40 ILE C C 40 171.600 171.600 174.108 -2.508 18797 6503 1 11 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.372 0.168 18797 6504 1 11 . 1 1 40 40 ILE CB C 40 44.130 44.130 42.048 2.082 18797 6505 1 11 . 1 1 40 40 ILE H H 40 9.160 9.160 8.393 0.767 18797 6506 1 11 . 1 1 41 41 GLY N N 41 111.830 111.830 114.186 -2.356 18797 6507 1 11 . 1 1 41 41 GLY C C 41 172.000 172.000 171.898 0.102 18797 6508 1 11 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.436 -1.286 18797 6509 1 11 . 1 1 41 41 GLY H H 41 8.930 8.930 8.387 0.542 18797 6510 1 11 . 1 1 42 42 SER N N 42 116.940 116.940 117.846 -0.906 18797 6511 1 11 . 1 1 42 42 SER C C 42 172.100 172.100 172.780 -0.680 18797 6512 1 11 . 1 1 42 42 SER CA C 42 56.220 56.220 56.328 -0.108 18797 6513 1 11 . 1 1 42 42 SER CB C 42 62.920 62.920 66.826 -3.906 18797 6514 1 11 . 1 1 42 42 SER H H 42 9.190 9.190 8.554 0.636 18797 6515 1 11 . 1 1 43 43 PHE N N 43 129.230 129.230 124.247 4.983 18797 6516 1 11 . 1 1 43 43 PHE C C 43 172.920 172.920 174.101 -1.181 18797 6517 1 11 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.327 -0.367 18797 6518 1 11 . 1 1 43 43 PHE CB C 43 42.430 42.430 43.219 -0.789 18797 6519 1 11 . 1 1 43 43 PHE H H 43 9.300 9.300 8.603 0.697 18797 6520 1 11 . 1 1 44 44 THR N N 44 126.530 126.530 119.965 6.565 18797 6521 1 11 . 1 1 44 44 THR C C 44 171.340 171.340 172.760 -1.420 18797 6522 1 11 . 1 1 44 44 THR CA C 44 60.410 60.410 59.592 0.818 18797 6523 1 11 . 1 1 44 44 THR CB C 44 70.220 70.220 71.786 -1.566 18797 6524 1 11 . 1 1 44 44 THR H H 44 8.820 8.820 8.192 0.628 18797 6525 1 11 . 1 1 45 45 TYR N N 45 125.840 125.840 121.093 4.747 18797 6526 1 11 . 1 1 45 45 TYR C C 45 174.000 174.000 174.007 -0.007 18797 6527 1 11 . 1 1 45 45 TYR CA C 45 55.670 55.670 55.110 0.560 18797 6528 1 11 . 1 1 45 45 TYR CB C 45 41.000 41.000 40.765 0.235 18797 6529 1 11 . 1 1 45 45 TYR H H 45 8.210 8.210 8.116 0.094 18797 6530 1 11 . 1 1 46 46 THR N N 46 117.670 117.670 120.559 -2.889 18797 6531 1 11 . 1 1 46 46 THR C C 46 171.910 171.910 174.015 -2.105 18797 6532 1 11 . 1 1 46 46 THR CA C 46 58.720 58.720 61.001 -2.281 18797 6533 1 11 . 1 1 46 46 THR CB C 46 71.710 71.710 70.882 0.828 18797 6534 1 11 . 1 1 46 46 THR H H 46 8.550 8.550 8.170 0.380 18797 6535 1 11 . 1 1 47 47 GLU N N 47 112.160 112.160 122.851 -10.691 18797 6536 1 11 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.007 -0.426 18797 6537 1 11 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.003 -1.333 18797 6538 1 11 . 1 1 47 47 GLU H H 47 8.170 8.170 8.955 -0.785 18797 6539 1 11 . 1 1 49 49 SER CA C 49 58.210 58.210 57.639 0.571 18797 6540 1 11 . 1 1 49 49 SER CB C 49 64.070 64.070 64.822 -0.752 18797 6541 1 11 . 1 1 49 49 SER H H 49 174.130 174.130 8.398 165.732 18797 6542 1 11 . 1 1 50 50 ARG N N 50 124.000 124.000 123.596 0.404 18797 6543 1 11 . 1 1 50 50 ARG C C 50 176.270 176.270 175.177 1.093 18797 6544 1 11 . 1 1 50 50 ARG CA C 50 55.960 55.960 55.540 0.420 18797 6545 1 11 . 1 1 50 50 ARG CB C 50 30.980 30.980 32.243 -1.263 18797 6546 1 11 . 1 1 50 50 ARG H H 50 8.600 8.600 8.419 0.181 18797 6547 1 11 . 1 1 51 51 THR N N 51 115.720 115.720 115.974 -0.254 18797 6548 1 11 . 1 1 51 51 THR C C 51 174.400 174.400 174.692 -0.292 18797 6549 1 11 . 1 1 51 51 THR CA C 51 61.820 61.820 61.621 0.199 18797 6550 1 11 . 1 1 51 51 THR H H 51 8.240 8.240 8.130 0.110 18797 6551 1 11 . 1 1 52 52 ALA CA C 52 52.000 52.000 53.326 -1.326 18797 6552 1 11 . 1 1 52 52 ALA CB C 52 18.800 18.800 19.022 -0.222 18797 6553 1 11 . 1 1 52 52 ALA H H 52 175.230 175.230 8.350 166.880 18797 6554 1 11 . 1 1 53 53 SER N N 53 113.990 113.990 116.891 -2.901 18797 6555 1 11 . 1 1 53 53 SER C C 53 175.360 175.360 175.772 -0.412 18797 6556 1 11 . 1 1 53 53 SER CA C 53 58.350 58.350 57.398 0.952 18797 6557 1 11 . 1 1 53 53 SER CB C 53 62.930 62.930 64.190 -1.260 18797 6558 1 11 . 1 1 53 53 SER H H 53 8.000 8.000 7.938 0.062 18797 6559 1 11 . 1 1 54 54 SER N N 54 113.510 113.510 117.962 -4.452 18797 6560 1 11 . 1 1 54 54 SER C C 54 173.880 173.880 175.696 -1.816 18797 6561 1 11 . 1 1 54 54 SER CA C 54 58.500 58.500 59.554 -1.054 18797 6562 1 11 . 1 1 54 54 SER CB C 54 62.960 62.960 63.094 -0.134 18797 6563 1 11 . 1 1 54 54 SER H H 54 8.050 8.050 8.656 -0.606 18797 6564 1 11 . 1 1 55 55 GLY N N 55 112.640 112.640 107.521 5.119 18797 6565 1 11 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.877 -0.677 18797 6566 1 11 . 1 1 55 55 GLY H H 55 8.140 8.140 7.772 0.368 18797 6567 1 11 . 1 1 56 56 ASP CA C 56 54.100 54.100 54.884 -0.784 18797 6568 1 11 . 1 1 56 56 ASP CB C 56 41.000 41.000 38.213 2.787 18797 6569 1 11 . 1 1 56 56 ASP H H 56 175.600 175.600 7.772 167.828 18797 6570 1 11 . 1 1 57 57 TYR N N 57 121.140 121.140 115.435 5.705 18797 6571 1 11 . 1 1 57 57 TYR CA C 57 57.280 57.280 58.905 -1.625 18797 6572 1 11 . 1 1 57 57 TYR CB C 57 38.400 38.400 39.360 -0.960 18797 6573 1 11 . 1 1 57 57 TYR H H 57 8.150 8.150 8.222 -0.072 18797 6574 1 11 . 1 1 59 59 LYS CA C 59 55.410 55.410 55.550 -0.140 18797 6575 1 11 . 1 1 59 59 LYS CB C 59 34.220 34.220 33.398 0.823 18797 6576 1 11 . 1 1 60 60 ASN N N 60 122.740 122.740 122.369 0.371 18797 6577 1 11 . 1 1 60 60 ASN C C 60 175.260 175.260 173.849 1.411 18797 6578 1 11 . 1 1 60 60 ASN CA C 60 52.200 52.200 51.813 0.387 18797 6579 1 11 . 1 1 60 60 ASN CB C 60 40.230 40.230 43.033 -2.803 18797 6580 1 11 . 1 1 60 60 ASN H H 60 8.360 8.360 8.554 -0.194 18797 6581 1 11 . 1 1 61 61 GLN N N 61 120.450 120.450 119.091 1.359 18797 6582 1 11 . 1 1 61 61 GLN C C 61 172.500 172.500 173.453 -0.953 18797 6583 1 11 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.187 0.553 18797 6584 1 11 . 1 1 61 61 GLN CB C 61 34.840 34.840 32.588 2.252 18797 6585 1 11 . 1 1 61 61 GLN H H 61 8.530 8.530 8.431 0.099 18797 6586 1 11 . 1 1 62 62 TYR N N 62 123.620 123.620 123.696 -0.076 18797 6587 1 11 . 1 1 62 62 TYR C C 62 171.430 171.430 173.165 -1.735 18797 6588 1 11 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.093 0.747 18797 6589 1 11 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.268 -2.338 18797 6590 1 11 . 1 1 62 62 TYR H H 62 8.610 8.610 8.291 0.319 18797 6591 1 11 . 1 1 63 63 TYR N N 63 123.920 123.920 123.713 0.207 18797 6592 1 11 . 1 1 63 63 TYR C C 63 174.280 174.280 174.121 0.159 18797 6593 1 11 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.435 -0.855 18797 6594 1 11 . 1 1 63 63 TYR CB C 63 41.320 41.320 41.478 -0.158 18797 6595 1 11 . 1 1 63 63 TYR H H 63 8.400 8.400 7.823 0.577 18797 6596 1 11 . 1 1 64 64 GLY N N 64 107.510 107.510 110.152 -2.642 18797 6597 1 11 . 1 1 64 64 GLY C C 64 174.090 174.090 171.544 2.546 18797 6598 1 11 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.625 0.945 18797 6599 1 11 . 1 1 64 64 GLY H H 64 8.760 8.760 8.318 0.442 18797 6600 1 11 . 1 1 65 65 ILE N N 65 128.470 128.470 126.385 2.085 18797 6601 1 11 . 1 1 65 65 ILE C C 65 174.350 174.350 173.938 0.412 18797 6602 1 11 . 1 1 65 65 ILE CA C 65 59.960 59.960 58.693 1.267 18797 6603 1 11 . 1 1 65 65 ILE CB C 65 39.740 39.740 42.124 -2.384 18797 6604 1 11 . 1 1 65 65 ILE H H 65 8.900 8.900 8.106 0.794 18797 6605 1 11 . 1 1 66 66 THR N N 66 115.890 115.890 120.531 -4.641 18797 6606 1 11 . 1 1 66 66 THR C C 66 172.600 172.600 173.125 -0.525 18797 6607 1 11 . 1 1 66 66 THR CA C 66 58.670 58.670 59.419 -0.749 18797 6608 1 11 . 1 1 66 66 THR CB C 66 73.100 73.100 71.921 1.179 18797 6609 1 11 . 1 1 66 66 THR H H 66 8.900 8.900 8.368 0.532 18797 6610 1 11 . 1 1 67 67 ALA N N 67 119.730 119.730 123.183 -3.453 18797 6611 1 11 . 1 1 67 67 ALA C C 67 176.670 176.670 175.489 1.181 18797 6612 1 11 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.641 0.859 18797 6613 1 11 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.763 -0.703 18797 6614 1 11 . 1 1 67 67 ALA H H 67 9.370 9.370 8.522 0.848 18797 6615 1 11 . 1 1 68 68 GLY N N 68 104.240 104.240 106.643 -2.403 18797 6616 1 11 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.681 1.239 18797 6617 1 11 . 1 1 68 68 GLY H H 68 8.900 8.900 8.177 0.723 18797 6618 1 11 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.255 -0.215 18797 6619 1 11 . 1 1 69 69 PRO CB C 69 32.690 32.690 33.025 -0.335 18797 6620 1 11 . 1 1 70 70 ALA N N 70 120.220 120.220 127.186 -6.966 18797 6621 1 11 . 1 1 70 70 ALA C C 70 175.590 175.590 176.058 -0.468 18797 6622 1 11 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.194 -1.704 18797 6623 1 11 . 1 1 70 70 ALA CB C 70 20.980 20.980 21.019 -0.039 18797 6624 1 11 . 1 1 70 70 ALA H H 70 7.870 7.870 8.946 -1.076 18797 6625 1 11 . 1 1 71 71 TYR N N 71 126.080 126.080 125.357 0.723 18797 6626 1 11 . 1 1 71 71 TYR C C 71 174.090 174.090 174.300 -0.210 18797 6627 1 11 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.022 -0.902 18797 6628 1 11 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.528 -0.608 18797 6629 1 11 . 1 1 71 71 TYR H H 71 9.780 9.780 8.789 0.991 18797 6630 1 11 . 1 1 72 72 ARG N N 72 131.410 131.410 129.113 2.297 18797 6631 1 11 . 1 1 72 72 ARG C C 72 174.160 174.160 174.803 -0.643 18797 6632 1 11 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.621 1.399 18797 6633 1 11 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.623 -1.003 18797 6634 1 11 . 1 1 72 72 ARG H H 72 8.770 8.770 8.092 0.678 18797 6635 1 11 . 1 1 73 73 ILE N N 73 129.550 129.550 127.504 2.046 18797 6636 1 11 . 1 1 73 73 ILE C C 73 175.730 175.730 176.551 -0.821 18797 6637 1 11 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.678 2.272 18797 6638 1 11 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.237 -0.727 18797 6639 1 11 . 1 1 73 73 ILE H H 73 8.400 8.400 7.817 0.583 18797 6640 1 11 . 1 1 74 74 ASN N N 74 114.870 114.870 125.292 -10.422 18797 6641 1 11 . 1 1 74 74 ASN C C 74 174.860 174.860 174.786 0.074 18797 6642 1 11 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.935 -3.105 18797 6643 1 11 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.239 -1.399 18797 6644 1 11 . 1 1 74 74 ASN H H 74 7.920 7.920 8.675 -0.755 18797 6645 1 11 . 1 1 75 75 ASP N N 75 113.980 113.980 119.886 -5.906 18797 6646 1 11 . 1 1 75 75 ASP C C 75 175.820 175.820 176.628 -0.808 18797 6647 1 11 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.378 3.542 18797 6648 1 11 . 1 1 75 75 ASP CB C 75 40.230 40.230 40.952 -0.722 18797 6649 1 11 . 1 1 75 75 ASP H H 75 8.320 8.320 8.228 0.092 18797 6650 1 11 . 1 1 76 76 TRP N N 76 113.600 113.600 120.196 -6.596 18797 6651 1 11 . 1 1 76 76 TRP C C 76 176.310 176.310 175.830 0.480 18797 6652 1 11 . 1 1 76 76 TRP CA C 76 55.410 55.410 57.125 -1.715 18797 6653 1 11 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.335 2.825 18797 6654 1 11 . 1 1 76 76 TRP H H 76 7.970 7.970 8.381 -0.411 18797 6655 1 11 . 1 1 77 77 ALA N N 77 125.520 125.520 121.695 3.825 18797 6656 1 11 . 1 1 77 77 ALA C C 77 175.620 175.620 177.153 -1.533 18797 6657 1 11 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.036 1.034 18797 6658 1 11 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.689 1.451 18797 6659 1 11 . 1 1 77 77 ALA H H 77 7.740 7.740 7.534 0.206 18797 6660 1 11 . 1 1 78 78 SER N N 78 114.140 114.140 116.061 -1.921 18797 6661 1 11 . 1 1 78 78 SER C C 78 170.060 170.060 173.556 -3.496 18797 6662 1 11 . 1 1 78 78 SER CA C 78 57.250 57.250 59.075 -1.825 18797 6663 1 11 . 1 1 78 78 SER CB C 78 65.320 65.320 64.103 1.218 18797 6664 1 11 . 1 1 78 78 SER H H 78 8.100 8.100 7.637 0.463 18797 6665 1 11 . 1 1 79 79 ILE N N 79 120.650 120.650 123.447 -2.797 18797 6666 1 11 . 1 1 79 79 ILE C C 79 172.470 172.470 174.731 -2.261 18797 6667 1 11 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.896 -1.446 18797 6668 1 11 . 1 1 79 79 ILE CB C 79 42.100 42.100 40.559 1.541 18797 6669 1 11 . 1 1 79 79 ILE H H 79 8.960 8.960 7.909 1.051 18797 6670 1 11 . 1 1 80 80 TYR N N 80 120.580 120.580 125.648 -5.068 18797 6671 1 11 . 1 1 80 80 TYR C C 80 173.000 173.000 175.562 -2.562 18797 6672 1 11 . 1 1 80 80 TYR CA C 80 55.980 55.980 56.017 -0.037 18797 6673 1 11 . 1 1 80 80 TYR CB C 80 41.030 41.030 40.893 0.137 18797 6674 1 11 . 1 1 80 80 TYR H H 80 8.360 8.360 8.547 -0.187 18797 6675 1 11 . 1 1 81 81 GLY N N 81 106.140 106.140 109.752 -3.612 18797 6676 1 11 . 1 1 81 81 GLY C C 81 170.920 170.920 172.155 -1.235 18797 6677 1 11 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.861 0.139 18797 6678 1 11 . 1 1 81 81 GLY H H 81 8.050 8.050 8.406 -0.356 18797 6679 1 11 . 1 1 82 82 VAL N N 82 111.380 111.380 118.348 -6.968 18797 6680 1 11 . 1 1 82 82 VAL C C 82 174.370 174.370 173.346 1.024 18797 6681 1 11 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.266 -1.086 18797 6682 1 11 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.244 0.196 18797 6683 1 11 . 1 1 82 82 VAL H H 82 8.490 8.490 8.162 0.328 18797 6684 1 11 . 1 1 83 83 VAL N N 83 113.660 113.660 120.469 -6.809 18797 6685 1 11 . 1 1 83 83 VAL C C 83 174.680 174.680 175.059 -0.379 18797 6686 1 11 . 1 1 83 83 VAL CA C 83 59.090 59.090 60.224 -1.134 18797 6687 1 11 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.930 1.090 18797 6688 1 11 . 1 1 83 83 VAL H H 83 8.970 8.970 8.257 0.713 18797 6689 1 11 . 1 1 84 84 GLY N N 84 108.310 108.310 112.619 -4.309 18797 6690 1 11 . 1 1 84 84 GLY C C 84 171.440 171.440 171.318 0.122 18797 6691 1 11 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.176 2.594 18797 6692 1 11 . 1 1 84 84 GLY H H 84 8.480 8.480 8.378 0.102 18797 6693 1 11 . 1 1 85 85 VAL N N 85 122.520 122.520 120.131 2.389 18797 6694 1 11 . 1 1 85 85 VAL C C 85 172.560 172.560 174.247 -1.687 18797 6695 1 11 . 1 1 85 85 VAL CA C 85 59.170 59.170 59.485 -0.315 18797 6696 1 11 . 1 1 85 85 VAL CB C 85 35.810 35.810 35.658 0.152 18797 6697 1 11 . 1 1 85 85 VAL H H 85 8.920 8.920 8.052 0.868 18797 6698 1 11 . 1 1 86 86 GLY N N 86 113.360 113.360 116.811 -3.451 18797 6699 1 11 . 1 1 86 86 GLY C C 86 172.210 172.210 171.996 0.214 18797 6700 1 11 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.814 -0.534 18797 6701 1 11 . 1 1 86 86 GLY H H 86 8.880 8.880 8.460 0.420 18797 6702 1 11 . 1 1 87 87 TYR N N 87 123.830 123.830 120.928 2.902 18797 6703 1 11 . 1 1 87 87 TYR C C 87 174.030 174.030 173.327 0.703 18797 6704 1 11 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.066 0.864 18797 6705 1 11 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.576 0.454 18797 6706 1 11 . 1 1 87 87 TYR H H 87 9.310 9.310 8.069 1.241 18797 6707 1 11 . 1 1 88 88 GLY N N 88 112.300 112.300 107.110 5.190 18797 6708 1 11 . 1 1 88 88 GLY C C 88 170.620 170.620 172.283 -1.663 18797 6709 1 11 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.802 0.598 18797 6710 1 11 . 1 1 88 88 GLY H H 88 8.000 8.000 8.717 -0.717 18797 6711 1 11 . 1 1 89 89 LYS N N 89 122.410 122.410 121.064 1.346 18797 6712 1 11 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.670 -0.190 18797 6713 1 11 . 1 1 89 89 LYS H H 89 8.230 8.230 8.650 -0.420 18797 6714 1 11 . 1 1 90 90 PHE C C 90 175.190 175.190 174.714 0.476 18797 6715 1 11 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.849 -1.819 18797 6716 1 11 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.410 -0.900 18797 6717 1 11 . 1 1 91 91 GLN N N 91 122.380 122.380 128.562 -6.182 18797 6718 1 11 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.773 0.557 18797 6719 1 11 . 1 1 91 91 GLN CB C 91 29.700 29.700 30.832 -1.132 18797 6720 1 11 . 1 1 91 91 GLN H H 91 8.370 8.370 7.825 0.545 18797 6721 1 11 . 1 1 94 94 GLU N N 94 175.780 175.780 123.129 52.651 18797 6722 1 11 . 1 1 94 94 GLU CA C 94 57.030 57.030 57.370 -0.340 18797 6723 1 11 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.170 0.290 18797 6724 1 11 . 1 1 95 95 TYR N N 95 120.240 120.240 118.037 2.203 18797 6725 1 11 . 1 1 95 95 TYR CA C 95 55.290 55.290 55.266 0.024 18797 6726 1 11 . 1 1 95 95 TYR CB C 95 37.730 37.730 39.996 -2.266 18797 6727 1 11 . 1 1 95 95 TYR H H 95 7.830 7.830 7.893 -0.063 18797 6728 1 11 . 1 1 97 97 THR CA C 97 62.210 62.210 64.486 -2.276 18797 6729 1 11 . 1 1 97 97 THR H H 97 174.320 174.320 8.419 165.901 18797 6730 1 11 . 1 1 98 98 TYR N N 98 122.540 122.540 121.346 1.194 18797 6731 1 11 . 1 1 98 98 TYR C C 98 175.000 175.000 177.531 -2.531 18797 6732 1 11 . 1 1 98 98 TYR CA C 98 57.530 57.530 59.766 -2.236 18797 6733 1 11 . 1 1 98 98 TYR CB C 98 38.350 38.350 37.912 0.438 18797 6734 1 11 . 1 1 98 98 TYR H H 98 8.040 8.040 8.180 -0.140 18797 6735 1 11 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.881 0.139 18797 6736 1 11 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.768 -2.068 18797 6737 1 11 . 1 1 101 101 ASP H H 101 176.040 176.040 8.008 168.032 18797 6738 1 11 . 1 1 102 102 THR N N 102 117.650 117.650 114.152 3.498 18797 6739 1 11 . 1 1 102 102 THR C C 102 173.840 173.840 173.695 0.145 18797 6740 1 11 . 1 1 102 102 THR CA C 102 61.590 61.590 62.175 -0.585 18797 6741 1 11 . 1 1 102 102 THR CB C 102 69.970 69.970 71.564 -1.595 18797 6742 1 11 . 1 1 102 102 THR H H 102 8.520 8.520 8.467 0.053 18797 6743 1 11 . 1 1 103 103 SER N N 103 119.470 119.470 119.338 0.132 18797 6744 1 11 . 1 1 103 103 SER C C 103 173.580 173.580 172.925 0.655 18797 6745 1 11 . 1 1 103 103 SER CA C 103 57.310 57.310 56.908 0.402 18797 6746 1 11 . 1 1 103 103 SER H H 103 8.240 8.240 8.501 -0.261 18797 6747 1 11 . 1 1 104 104 ASP N N 104 122.250 122.250 118.794 3.456 18797 6748 1 11 . 1 1 104 104 ASP C C 104 173.100 173.100 173.918 -0.818 18797 6749 1 11 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.294 -0.694 18797 6750 1 11 . 1 1 104 104 ASP CB C 104 44.060 44.060 43.680 0.380 18797 6751 1 11 . 1 1 104 104 ASP H H 104 8.270 8.270 8.527 -0.257 18797 6752 1 11 . 1 1 105 105 TYR N N 105 116.040 116.040 116.553 -0.513 18797 6753 1 11 . 1 1 105 105 TYR C C 105 175.860 175.860 174.542 1.318 18797 6754 1 11 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.124 -0.574 18797 6755 1 11 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.520 0.110 18797 6756 1 11 . 1 1 105 105 TYR H H 105 8.560 8.560 8.308 0.252 18797 6757 1 11 . 1 1 106 106 GLY N N 106 108.500 108.500 107.999 0.501 18797 6758 1 11 . 1 1 106 106 GLY C C 106 172.030 172.030 172.103 -0.073 18797 6759 1 11 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.141 0.349 18797 6760 1 11 . 1 1 106 106 GLY H H 106 9.190 9.190 8.997 0.193 18797 6761 1 11 . 1 1 107 107 PHE N N 107 121.420 121.420 121.378 0.042 18797 6762 1 11 . 1 1 107 107 PHE C C 107 175.430 175.430 174.322 1.108 18797 6763 1 11 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.995 0.545 18797 6764 1 11 . 1 1 107 107 PHE CB C 107 40.200 40.200 40.624 -0.424 18797 6765 1 11 . 1 1 107 107 PHE H H 107 8.860 8.860 8.792 0.068 18797 6766 1 11 . 1 1 108 108 SER N N 108 123.250 123.250 124.008 -0.758 18797 6767 1 11 . 1 1 108 108 SER C C 108 171.430 171.430 172.333 -0.903 18797 6768 1 11 . 1 1 108 108 SER CA C 108 56.100 56.100 56.744 -0.644 18797 6769 1 11 . 1 1 108 108 SER CB C 108 65.720 65.720 65.399 0.321 18797 6770 1 11 . 1 1 108 108 SER H H 108 8.110 8.110 8.252 -0.142 18797 6771 1 11 . 1 1 109 109 TYR N N 109 117.840 117.840 125.796 -7.956 18797 6772 1 11 . 1 1 109 109 TYR C C 109 173.560 173.560 173.594 -0.034 18797 6773 1 11 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.251 -0.931 18797 6774 1 11 . 1 1 109 109 TYR CB C 109 39.560 39.560 43.045 -3.485 18797 6775 1 11 . 1 1 109 109 TYR H H 109 8.480 8.480 8.348 0.132 18797 6776 1 11 . 1 1 110 110 GLY N N 110 106.400 106.400 110.725 -4.325 18797 6777 1 11 . 1 1 110 110 GLY C C 110 171.350 171.350 171.198 0.152 18797 6778 1 11 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.073 2.087 18797 6779 1 11 . 1 1 110 110 GLY H H 110 8.980 8.980 7.799 1.181 18797 6780 1 11 . 1 1 111 111 ALA N N 111 119.140 119.140 121.153 -2.013 18797 6781 1 11 . 1 1 111 111 ALA C C 111 174.640 174.640 175.248 -0.608 18797 6782 1 11 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.623 0.346 18797 6783 1 11 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.955 -0.805 18797 6784 1 11 . 1 1 111 111 ALA H H 111 8.390 8.390 8.107 0.283 18797 6785 1 11 . 1 1 112 112 GLY N N 112 106.070 106.070 107.114 -1.044 18797 6786 1 11 . 1 1 112 112 GLY C C 112 169.770 169.770 171.957 -2.187 18797 6787 1 11 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.848 0.422 18797 6788 1 11 . 1 1 112 112 GLY H H 112 7.820 7.820 8.383 -0.563 18797 6789 1 11 . 1 1 113 113 LEU N N 113 116.370 116.370 119.514 -3.144 18797 6790 1 11 . 1 1 113 113 LEU C C 113 175.090 175.090 175.568 -0.478 18797 6791 1 11 . 1 1 113 113 LEU CA C 113 52.690 52.690 52.796 -0.106 18797 6792 1 11 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.109 0.451 18797 6793 1 11 . 1 1 113 113 LEU H H 113 8.930 8.930 8.518 0.412 18797 6794 1 11 . 1 1 114 114 GLN N N 114 115.860 115.860 120.655 -4.795 18797 6795 1 11 . 1 1 114 114 GLN C C 114 176.910 176.910 174.563 2.347 18797 6796 1 11 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.465 -0.736 18797 6797 1 11 . 1 1 114 114 GLN CB C 114 33.290 33.290 31.744 1.546 18797 6798 1 11 . 1 1 114 114 GLN H H 114 7.860 7.860 8.340 -0.480 18797 6799 1 11 . 1 1 115 115 PHE N N 115 126.580 126.580 127.350 -0.770 18797 6800 1 11 . 1 1 115 115 PHE C C 115 175.740 175.740 172.368 3.372 18797 6801 1 11 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.558 -1.358 18797 6802 1 11 . 1 1 115 115 PHE CB C 115 43.370 43.370 42.307 1.063 18797 6803 1 11 . 1 1 115 115 PHE H H 115 9.750 9.750 8.711 1.039 18797 6804 1 11 . 1 1 116 116 ASN N N 116 119.920 119.920 123.644 -3.724 18797 6805 1 11 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.713 0.487 18797 6806 1 11 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.020 0.630 18797 6807 1 11 . 1 1 116 116 ASN H H 116 9.450 9.450 7.805 1.645 18797 6808 1 11 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.590 2.110 18797 6809 1 11 . 1 1 118 118 MET N N 118 110.530 110.530 117.964 -7.434 18797 6810 1 11 . 1 1 118 118 MET C C 118 176.130 176.130 177.167 -1.037 18797 6811 1 11 . 1 1 118 118 MET CA C 118 53.980 53.980 57.276 -3.296 18797 6812 1 11 . 1 1 118 118 MET CB C 118 36.310 36.310 32.926 3.384 18797 6813 1 11 . 1 1 118 118 MET H H 118 7.310 7.310 8.074 -0.764 18797 6814 1 11 . 1 1 119 119 GLU N N 119 120.320 120.320 116.597 3.723 18797 6815 1 11 . 1 1 119 119 GLU C C 119 176.810 176.810 176.923 -0.113 18797 6816 1 11 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.835 1.765 18797 6817 1 11 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.006 0.144 18797 6818 1 11 . 1 1 119 119 GLU H H 119 9.120 9.120 8.847 0.273 18797 6819 1 11 . 1 1 120 120 ASN N N 120 112.490 112.490 117.652 -5.162 18797 6820 1 11 . 1 1 120 120 ASN C C 120 174.080 174.080 176.315 -2.235 18797 6821 1 11 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.083 -1.683 18797 6822 1 11 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.248 0.582 18797 6823 1 11 . 1 1 120 120 ASN H H 120 8.430 8.430 8.683 -0.253 18797 6824 1 11 . 1 1 121 121 VAL N N 121 117.760 117.760 118.589 -0.829 18797 6825 1 11 . 1 1 121 121 VAL C C 121 174.750 174.750 175.025 -0.275 18797 6826 1 11 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.787 -2.097 18797 6827 1 11 . 1 1 121 121 VAL CB C 121 34.900 34.900 30.540 4.360 18797 6828 1 11 . 1 1 121 121 VAL H H 121 7.500 7.500 7.232 0.268 18797 6829 1 11 . 1 1 122 122 ALA N N 122 127.190 127.190 122.993 4.197 18797 6830 1 11 . 1 1 122 122 ALA C C 122 175.140 175.140 175.454 -0.314 18797 6831 1 11 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.710 -1.320 18797 6832 1 11 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.965 0.855 18797 6833 1 11 . 1 1 122 122 ALA H H 122 8.230 8.230 7.370 0.860 18797 6834 1 11 . 1 1 123 123 LEU N N 123 120.270 120.270 122.469 -2.199 18797 6835 1 11 . 1 1 123 123 LEU C C 123 174.310 174.310 175.622 -1.312 18797 6836 1 11 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.355 0.305 18797 6837 1 11 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.076 -1.566 18797 6838 1 11 . 1 1 123 123 LEU H H 123 8.910 8.910 8.737 0.173 18797 6839 1 11 . 1 1 124 124 ASP N N 124 127.350 127.350 121.921 5.429 18797 6840 1 11 . 1 1 124 124 ASP C C 124 171.830 171.830 174.442 -2.612 18797 6841 1 11 . 1 1 124 124 ASP CA C 124 53.820 53.820 53.072 0.748 18797 6842 1 11 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.800 2.689 18797 6843 1 11 . 1 1 124 124 ASP H H 124 8.580 8.580 8.461 0.119 18797 6844 1 11 . 1 1 125 125 PHE N N 125 123.390 123.390 127.439 -4.049 18797 6845 1 11 . 1 1 125 125 PHE C C 125 174.130 174.130 173.538 0.592 18797 6846 1 11 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.273 -0.613 18797 6847 1 11 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.056 -0.356 18797 6848 1 11 . 1 1 125 125 PHE H H 125 8.670 8.670 8.320 0.350 18797 6849 1 11 . 1 1 126 126 SER N N 126 118.680 118.680 121.892 -3.212 18797 6850 1 11 . 1 1 126 126 SER C C 126 169.980 169.980 171.991 -2.011 18797 6851 1 11 . 1 1 126 126 SER CA C 126 58.120 58.120 57.227 0.893 18797 6852 1 11 . 1 1 126 126 SER CB C 126 66.950 66.950 66.803 0.147 18797 6853 1 11 . 1 1 126 126 SER H H 126 9.390 9.390 8.187 1.203 18797 6854 1 11 . 1 1 127 127 TYR N N 127 119.080 119.080 122.973 -3.893 18797 6855 1 11 . 1 1 127 127 TYR C C 127 174.390 174.390 173.709 0.681 18797 6856 1 11 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.633 -0.193 18797 6857 1 11 . 1 1 127 127 TYR CB C 127 43.100 43.100 42.096 1.004 18797 6858 1 11 . 1 1 127 127 TYR H H 127 8.610 8.610 8.658 -0.048 18797 6859 1 11 . 1 1 128 128 GLU N N 128 130.070 130.070 124.178 5.892 18797 6860 1 11 . 1 1 128 128 GLU C C 128 172.590 172.590 174.746 -2.156 18797 6861 1 11 . 1 1 128 128 GLU CA C 128 54.130 54.130 53.924 0.206 18797 6862 1 11 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.711 -0.211 18797 6863 1 11 . 1 1 128 128 GLU H H 128 8.510 8.510 7.915 0.595 18797 6864 1 11 . 1 1 129 129 GLN N N 129 128.670 128.670 120.660 8.010 18797 6865 1 11 . 1 1 129 129 GLN C C 129 173.690 173.690 174.660 -0.970 18797 6866 1 11 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.858 -0.647 18797 6867 1 11 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.996 -1.946 18797 6868 1 11 . 1 1 129 129 GLN H H 129 9.330 9.330 8.597 0.733 18797 6869 1 11 . 1 1 130 130 SER N N 130 118.630 118.630 117.662 0.968 18797 6870 1 11 . 1 1 130 130 SER C C 130 174.210 174.210 174.232 -0.022 18797 6871 1 11 . 1 1 130 130 SER CA C 130 56.450 56.450 56.289 0.161 18797 6872 1 11 . 1 1 130 130 SER CB C 130 66.260 66.260 64.802 1.458 18797 6873 1 11 . 1 1 130 130 SER H H 130 8.580 8.580 7.969 0.611 18797 6874 1 11 . 1 1 131 131 ARG N N 131 126.850 126.850 125.100 1.750 18797 6875 1 11 . 1 1 131 131 ARG C C 131 174.740 174.740 176.358 -1.618 18797 6876 1 11 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.561 -0.221 18797 6877 1 11 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.510 -0.600 18797 6878 1 11 . 1 1 131 131 ARG H H 131 7.690 7.690 8.746 -1.056 18797 6879 1 11 . 1 1 132 132 ILE N N 132 129.470 129.470 119.530 9.940 18797 6880 1 11 . 1 1 132 132 ILE C C 132 175.500 175.500 175.975 -0.475 18797 6881 1 11 . 1 1 132 132 ILE CA C 132 58.890 58.890 60.875 -1.985 18797 6882 1 11 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.419 0.901 18797 6883 1 11 . 1 1 132 132 ILE H H 132 8.730 8.730 8.518 0.212 18797 6884 1 11 . 1 1 133 133 ARG N N 133 127.220 127.220 128.991 -1.771 18797 6885 1 11 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.406 2.704 18797 6886 1 11 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.340 -4.019 18797 6887 1 11 . 1 1 133 133 ARG H H 133 9.400 9.400 8.413 0.987 18797 6888 1 11 . 1 1 134 134 SER C C 134 173.290 173.290 173.638 -0.348 18797 6889 1 11 . 1 1 134 134 SER CA C 134 58.490 58.490 60.268 -1.778 18797 6890 1 11 . 1 1 134 134 SER CB C 134 62.860 62.860 63.166 -0.306 18797 6891 1 11 . 1 1 135 135 VAL N N 135 124.810 124.810 120.342 4.468 18797 6892 1 11 . 1 1 135 135 VAL C C 135 174.650 174.650 173.597 1.053 18797 6893 1 11 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.478 0.392 18797 6894 1 11 . 1 1 135 135 VAL CB C 135 32.060 32.060 35.190 -3.130 18797 6895 1 11 . 1 1 135 135 VAL H H 135 8.270 8.270 7.286 0.984 18797 6896 1 11 . 1 1 136 136 ASP N N 136 127.750 127.750 126.747 1.003 18797 6897 1 11 . 1 1 136 136 ASP C C 136 175.130 175.130 175.378 -0.248 18797 6898 1 11 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.563 1.657 18797 6899 1 11 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.917 -1.167 18797 6900 1 11 . 1 1 136 136 ASP H H 136 8.010 8.010 8.359 -0.349 18797 6901 1 11 . 1 1 137 137 VAL N N 137 124.520 124.520 123.933 0.587 18797 6902 1 11 . 1 1 137 137 VAL C C 137 174.690 174.690 174.924 -0.234 18797 6903 1 11 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.285 -0.835 18797 6904 1 11 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.508 -0.709 18797 6905 1 11 . 1 1 137 137 VAL H H 137 8.720 8.720 7.723 0.997 18797 6906 1 11 . 1 1 138 138 GLY N N 138 116.920 116.920 114.687 2.233 18797 6907 1 11 . 1 1 138 138 GLY C C 138 172.930 172.930 172.622 0.308 18797 6908 1 11 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.249 0.231 18797 6909 1 11 . 1 1 138 138 GLY H H 138 8.240 8.240 8.606 -0.366 18797 6910 1 11 . 1 1 139 139 THR N N 139 125.070 125.070 122.316 2.754 18797 6911 1 11 . 1 1 139 139 THR C C 139 171.920 171.920 173.191 -1.271 18797 6912 1 11 . 1 1 139 139 THR CA C 139 60.890 60.890 61.503 -0.613 18797 6913 1 11 . 1 1 139 139 THR CB C 139 70.290 70.290 71.738 -1.448 18797 6914 1 11 . 1 1 139 139 THR H H 139 8.710 8.710 7.504 1.206 18797 6915 1 11 . 1 1 140 140 TRP N N 140 125.840 125.840 126.931 -1.091 18797 6916 1 11 . 1 1 140 140 TRP C C 140 175.070 175.070 175.302 -0.232 18797 6917 1 11 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.922 -0.792 18797 6918 1 11 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.413 -0.313 18797 6919 1 11 . 1 1 140 140 TRP H H 140 8.330 8.330 8.650 -0.320 18797 6920 1 11 . 1 1 141 141 ILE N N 141 123.240 123.240 115.803 7.437 18797 6921 1 11 . 1 1 141 141 ILE C C 141 174.870 174.870 173.736 1.134 18797 6922 1 11 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.516 1.874 18797 6923 1 11 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.416 -1.786 18797 6924 1 11 . 1 1 141 141 ILE H H 141 8.980 8.980 8.526 0.454 18797 6925 1 11 . 1 1 142 142 ALA N N 142 127.680 127.680 125.100 2.580 18797 6926 1 11 . 1 1 142 142 ALA C C 142 175.700 175.700 175.918 -0.218 18797 6927 1 11 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.687 -0.157 18797 6928 1 11 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.743 -0.533 18797 6929 1 11 . 1 1 142 142 ALA H H 142 8.350 8.350 8.390 -0.040 18797 6930 1 11 . 1 1 143 143 GLY N N 143 109.030 109.030 109.660 -0.630 18797 6931 1 11 . 1 1 143 143 GLY C C 143 172.090 172.090 172.149 -0.059 18797 6932 1 11 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.190 1.240 18797 6933 1 11 . 1 1 143 143 GLY H H 143 9.520 9.520 8.405 1.115 18797 6934 1 11 . 1 1 144 144 VAL N N 144 114.110 114.110 116.544 -2.434 18797 6935 1 11 . 1 1 144 144 VAL C C 144 174.010 174.010 174.558 -0.548 18797 6936 1 11 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.307 -0.037 18797 6937 1 11 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.110 1.380 18797 6938 1 11 . 1 1 144 144 VAL H H 144 8.750 8.750 8.490 0.260 18797 6939 1 11 . 1 1 145 145 GLY N N 145 107.360 107.360 111.633 -4.273 18797 6940 1 11 . 1 1 145 145 GLY C C 145 171.210 171.210 171.625 -0.415 18797 6941 1 11 . 1 1 145 145 GLY CA C 145 46.770 46.770 45.035 1.734 18797 6942 1 11 . 1 1 145 145 GLY H H 145 8.590 8.590 8.478 0.112 18797 6943 1 11 . 1 1 146 146 TYR N N 146 121.960 121.960 114.891 7.069 18797 6944 1 11 . 1 1 146 146 TYR C C 146 172.440 172.440 173.412 -0.972 18797 6945 1 11 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.606 -0.356 18797 6946 1 11 . 1 1 146 146 TYR CB C 146 44.270 44.270 42.157 2.113 18797 6947 1 11 . 1 1 146 146 TYR H H 146 8.370 8.370 7.877 0.493 18797 6948 1 11 . 1 1 147 147 ARG N N 147 129.590 129.590 119.062 10.528 18797 6949 1 11 . 1 1 147 147 ARG C C 147 173.850 173.850 174.910 -1.060 18797 6950 1 11 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.486 -1.126 18797 6951 1 11 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.861 -1.441 18797 6952 1 11 . 1 1 147 147 ARG H H 147 7.690 7.690 8.101 -0.411 18797 6953 1 12 . 1 1 2 2 THR N N 2 114.280 114.280 114.711 -0.431 18797 6954 1 12 . 1 1 2 2 THR C C 2 173.570 173.570 173.669 -0.099 18797 6955 1 12 . 1 1 2 2 THR CA C 2 61.040 61.040 61.958 -0.918 18797 6956 1 12 . 1 1 2 2 THR CB C 2 71.930 71.930 70.432 1.498 18797 6957 1 12 . 1 1 2 2 THR H H 2 8.490 8.490 8.177 0.313 18797 6958 1 12 . 1 1 3 3 SER N N 3 122.430 122.430 117.028 5.402 18797 6959 1 12 . 1 1 3 3 SER C C 3 172.590 172.590 172.993 -0.403 18797 6960 1 12 . 1 1 3 3 SER CA C 3 56.760 56.760 57.037 -0.277 18797 6961 1 12 . 1 1 3 3 SER CB C 3 65.480 65.480 66.242 -0.762 18797 6962 1 12 . 1 1 3 3 SER H H 3 9.000 9.000 7.883 1.117 18797 6963 1 12 . 1 1 4 4 THR N N 4 117.240 117.240 119.706 -2.466 18797 6964 1 12 . 1 1 4 4 THR C C 4 174.640 174.640 173.126 1.514 18797 6965 1 12 . 1 1 4 4 THR CA C 4 61.390 61.390 61.069 0.321 18797 6966 1 12 . 1 1 4 4 THR CB C 4 70.680 70.680 71.166 -0.486 18797 6967 1 12 . 1 1 4 4 THR H H 4 8.610 8.610 8.365 0.245 18797 6968 1 12 . 1 1 5 5 VAL N N 5 129.440 129.440 125.845 3.595 18797 6969 1 12 . 1 1 5 5 VAL C C 5 174.770 174.770 174.688 0.082 18797 6970 1 12 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.264 -0.504 18797 6971 1 12 . 1 1 5 5 VAL CB C 5 33.490 33.490 32.845 0.645 18797 6972 1 12 . 1 1 5 5 VAL H H 5 8.750 8.750 7.953 0.797 18797 6973 1 12 . 1 1 6 6 THR N N 6 116.430 116.430 122.657 -6.227 18797 6974 1 12 . 1 1 6 6 THR C C 6 172.930 172.930 173.104 -0.174 18797 6975 1 12 . 1 1 6 6 THR CA C 6 58.590 58.590 60.804 -2.214 18797 6976 1 12 . 1 1 6 6 THR CB C 6 70.930 70.930 71.740 -0.810 18797 6977 1 12 . 1 1 6 6 THR H H 6 8.890 8.890 8.073 0.817 18797 6978 1 12 . 1 1 7 7 GLY N N 7 105.590 105.590 110.762 -5.172 18797 6979 1 12 . 1 1 7 7 GLY C C 7 172.430 172.430 172.022 0.408 18797 6980 1 12 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.741 0.579 18797 6981 1 12 . 1 1 7 7 GLY H H 7 8.760 8.760 8.330 0.430 18797 6982 1 12 . 1 1 8 8 GLY N N 8 106.530 106.530 109.648 -3.118 18797 6983 1 12 . 1 1 8 8 GLY C C 8 173.030 173.030 171.713 1.317 18797 6984 1 12 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.805 1.125 18797 6985 1 12 . 1 1 8 8 GLY H H 8 9.100 9.100 7.744 1.356 18797 6986 1 12 . 1 1 9 9 TYR N N 9 121.730 121.730 116.553 5.177 18797 6987 1 12 . 1 1 9 9 TYR C C 9 172.390 172.390 173.152 -0.762 18797 6988 1 12 . 1 1 9 9 TYR CA C 9 56.840 56.840 54.882 1.958 18797 6989 1 12 . 1 1 9 9 TYR CB C 9 41.080 41.080 41.561 -0.481 18797 6990 1 12 . 1 1 9 9 TYR H H 9 8.410 8.410 8.011 0.399 18797 6991 1 12 . 1 1 10 10 ALA N N 10 128.460 128.460 122.570 5.890 18797 6992 1 12 . 1 1 10 10 ALA C C 10 174.020 174.020 175.099 -1.079 18797 6993 1 12 . 1 1 10 10 ALA CA C 10 48.210 48.210 50.103 -1.893 18797 6994 1 12 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.726 -0.506 18797 6995 1 12 . 1 1 10 10 ALA H H 10 6.910 6.910 8.874 -1.964 18797 6996 1 12 . 1 1 11 11 GLN N N 11 118.830 118.830 121.704 -2.874 18797 6997 1 12 . 1 1 11 11 GLN C C 11 175.650 175.650 174.421 1.229 18797 6998 1 12 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.607 0.223 18797 6999 1 12 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.520 -0.460 18797 7000 1 12 . 1 1 11 11 GLN H H 11 8.100 8.100 7.926 0.174 18797 7001 1 12 . 1 1 12 12 SER N N 12 124.200 124.200 120.499 3.701 18797 7002 1 12 . 1 1 12 12 SER C C 12 172.710 172.710 173.369 -0.659 18797 7003 1 12 . 1 1 12 12 SER CA C 12 57.190 57.190 55.706 1.484 18797 7004 1 12 . 1 1 12 12 SER CB C 12 64.180 64.180 65.111 -0.931 18797 7005 1 12 . 1 1 12 12 SER H H 12 9.160 9.160 8.375 0.785 18797 7006 1 12 . 1 1 13 13 ASP N N 13 124.950 124.950 127.199 -2.249 18797 7007 1 12 . 1 1 13 13 ASP C C 13 174.860 174.860 174.937 -0.077 18797 7008 1 12 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.926 -0.966 18797 7009 1 12 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.723 0.197 18797 7010 1 12 . 1 1 13 13 ASP H H 13 9.070 9.070 8.022 1.048 18797 7011 1 12 . 1 1 14 14 ALA N N 14 128.730 128.730 127.798 0.932 18797 7012 1 12 . 1 1 14 14 ALA C C 14 176.230 176.230 176.608 -0.378 18797 7013 1 12 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.869 -2.059 18797 7014 1 12 . 1 1 14 14 ALA CB C 14 19.500 19.500 19.901 -0.401 18797 7015 1 12 . 1 1 14 14 ALA H H 14 8.560 8.560 8.301 0.259 18797 7016 1 12 . 1 1 15 15 GLN N N 15 122.750 122.750 123.230 -0.480 18797 7017 1 12 . 1 1 15 15 GLN C C 15 176.660 176.660 176.372 0.288 18797 7018 1 12 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.923 2.197 18797 7019 1 12 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.290 -2.130 18797 7020 1 12 . 1 1 15 15 GLN H H 15 8.340 8.340 8.665 -0.325 18797 7021 1 12 . 1 1 16 16 GLY N N 16 112.800 112.800 109.623 3.177 18797 7022 1 12 . 1 1 16 16 GLY C C 16 174.400 174.400 173.793 0.607 18797 7023 1 12 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.520 -0.340 18797 7024 1 12 . 1 1 16 16 GLY H H 16 8.650 8.650 8.511 0.139 18797 7025 1 12 . 1 1 17 17 GLN N N 17 119.300 119.300 117.801 1.499 18797 7026 1 12 . 1 1 17 17 GLN C C 17 175.720 175.720 174.617 1.103 18797 7027 1 12 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.999 -2.400 18797 7028 1 12 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.320 5.480 18797 7029 1 12 . 1 1 17 17 GLN H H 17 8.080 8.080 8.619 -0.539 18797 7030 1 12 . 1 1 18 18 MET N N 18 120.170 120.170 116.775 3.395 18797 7031 1 12 . 1 1 18 18 MET C C 18 175.400 175.400 173.656 1.744 18797 7032 1 12 . 1 1 18 18 MET CA C 18 55.980 55.980 54.747 1.233 18797 7033 1 12 . 1 1 18 18 MET CB C 18 35.590 35.590 36.231 -0.641 18797 7034 1 12 . 1 1 18 18 MET H H 18 8.370 8.370 7.845 0.525 18797 7035 1 12 . 1 1 19 19 ASN N N 19 117.900 117.900 119.877 -1.977 18797 7036 1 12 . 1 1 19 19 ASN C C 19 174.400 174.400 174.816 -0.416 18797 7037 1 12 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.138 0.162 18797 7038 1 12 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.331 0.069 18797 7039 1 12 . 1 1 19 19 ASN H H 19 7.990 7.990 8.466 -0.476 18797 7040 1 12 . 1 1 20 20 LYS N N 20 120.800 120.800 120.600 0.200 18797 7041 1 12 . 1 1 20 20 LYS C C 20 176.410 176.410 175.865 0.545 18797 7042 1 12 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.282 -1.582 18797 7043 1 12 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.392 -1.492 18797 7044 1 12 . 1 1 20 20 LYS H H 20 8.340 8.340 8.466 -0.126 18797 7045 1 12 . 1 1 21 21 MET N N 21 120.500 120.500 116.702 3.798 18797 7046 1 12 . 1 1 21 21 MET C C 21 175.270 175.270 175.161 0.109 18797 7047 1 12 . 1 1 21 21 MET CA C 21 54.800 54.800 54.534 0.266 18797 7048 1 12 . 1 1 21 21 MET CB C 21 34.730 34.730 37.688 -2.958 18797 7049 1 12 . 1 1 21 21 MET H H 21 8.580 8.580 7.768 0.812 18797 7050 1 12 . 1 1 22 22 GLY N N 22 111.280 111.280 107.425 3.855 18797 7051 1 12 . 1 1 22 22 GLY C C 22 174.030 174.030 172.380 1.650 18797 7052 1 12 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.838 -0.028 18797 7053 1 12 . 1 1 22 22 GLY H H 22 8.430 8.430 8.234 0.196 18797 7054 1 12 . 1 1 23 23 GLY N N 23 120.170 120.170 108.837 11.333 18797 7055 1 12 . 1 1 23 23 GLY C C 23 171.850 171.850 171.812 0.038 18797 7056 1 12 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.024 2.126 18797 7057 1 12 . 1 1 23 23 GLY H H 23 8.180 8.180 8.340 -0.160 18797 7058 1 12 . 1 1 24 24 PHE N N 24 121.370 121.370 123.388 -2.018 18797 7059 1 12 . 1 1 24 24 PHE C C 24 171.570 171.570 173.481 -1.911 18797 7060 1 12 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.287 -1.557 18797 7061 1 12 . 1 1 24 24 PHE CB C 24 43.510 43.510 43.369 0.141 18797 7062 1 12 . 1 1 24 24 PHE H H 24 9.230 9.230 8.634 0.596 18797 7063 1 12 . 1 1 25 25 ASN N N 25 118.950 118.950 124.385 -5.435 18797 7064 1 12 . 1 1 25 25 ASN C C 25 172.080 172.080 173.399 -1.319 18797 7065 1 12 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.919 -1.048 18797 7066 1 12 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.370 4.080 18797 7067 1 12 . 1 1 25 25 ASN H H 25 8.520 8.520 7.761 0.759 18797 7068 1 12 . 1 1 26 26 LEU N N 26 126.150 126.150 124.540 1.610 18797 7069 1 12 . 1 1 26 26 LEU C C 26 175.620 175.620 175.598 0.022 18797 7070 1 12 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.556 -0.066 18797 7071 1 12 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.394 1.236 18797 7072 1 12 . 1 1 26 26 LEU H H 26 9.340 9.340 8.381 0.959 18797 7073 1 12 . 1 1 27 27 LYS N N 27 117.980 117.980 119.815 -1.835 18797 7074 1 12 . 1 1 27 27 LYS C C 27 175.120 175.120 175.201 -0.081 18797 7075 1 12 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.655 0.535 18797 7076 1 12 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.354 0.216 18797 7077 1 12 . 1 1 27 27 LYS H H 27 8.850 8.850 8.198 0.652 18797 7078 1 12 . 1 1 28 28 TYR N N 28 120.820 120.820 120.914 -0.094 18797 7079 1 12 . 1 1 28 28 TYR C C 28 172.480 172.480 174.775 -2.295 18797 7080 1 12 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.233 0.047 18797 7081 1 12 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.005 -0.105 18797 7082 1 12 . 1 1 28 28 TYR H H 28 8.430 8.430 8.666 -0.236 18797 7083 1 12 . 1 1 29 29 ARG N N 29 129.660 129.660 121.768 7.892 18797 7084 1 12 . 1 1 29 29 ARG C C 29 172.780 172.780 174.174 -1.394 18797 7085 1 12 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.911 -0.911 18797 7086 1 12 . 1 1 29 29 ARG CB C 29 34.010 34.010 35.005 -0.996 18797 7087 1 12 . 1 1 29 29 ARG H H 29 8.670 8.670 8.004 0.666 18797 7088 1 12 . 1 1 30 30 TYR N N 30 127.210 127.210 123.105 4.105 18797 7089 1 12 . 1 1 30 30 TYR C C 30 175.000 175.000 175.392 -0.392 18797 7090 1 12 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.729 0.101 18797 7091 1 12 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.543 1.597 18797 7092 1 12 . 1 1 30 30 TYR H H 30 8.930 8.930 8.090 0.840 18797 7093 1 12 . 1 1 31 31 GLU N N 31 128.090 128.090 122.685 5.405 18797 7094 1 12 . 1 1 31 31 GLU C C 31 174.250 174.250 176.456 -2.206 18797 7095 1 12 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.457 -0.827 18797 7096 1 12 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.218 2.272 18797 7097 1 12 . 1 1 31 31 GLU H H 31 8.170 8.170 8.283 -0.113 18797 7098 1 12 . 1 1 32 32 GLU N N 32 122.610 122.610 123.604 -0.994 18797 7099 1 12 . 1 1 32 32 GLU C C 32 176.920 176.920 175.894 1.026 18797 7100 1 12 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.765 -0.195 18797 7101 1 12 . 1 1 32 32 GLU CB C 32 30.770 30.770 33.130 -2.360 18797 7102 1 12 . 1 1 32 32 GLU H H 32 9.120 9.120 8.532 0.588 18797 7103 1 12 . 1 1 33 33 ASP N N 33 121.920 121.920 121.891 0.029 18797 7104 1 12 . 1 1 33 33 ASP C C 33 176.990 176.990 176.619 0.371 18797 7105 1 12 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.831 2.039 18797 7106 1 12 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.769 -1.499 18797 7107 1 12 . 1 1 33 33 ASP H H 33 8.600 8.600 8.538 0.062 18797 7108 1 12 . 1 1 34 34 ASN N N 34 115.300 115.300 117.425 -2.125 18797 7109 1 12 . 1 1 34 34 ASN C C 34 174.280 174.280 176.501 -2.221 18797 7110 1 12 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.244 -1.884 18797 7111 1 12 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.534 -0.584 18797 7112 1 12 . 1 1 34 34 ASN H H 34 8.420 8.420 8.562 -0.142 18797 7113 1 12 . 1 1 35 35 SER N N 35 112.970 112.970 113.837 -0.867 18797 7114 1 12 . 1 1 35 35 SER CA C 35 54.260 54.260 58.860 -4.600 18797 7115 1 12 . 1 1 35 35 SER CB C 35 64.920 64.920 63.409 1.511 18797 7116 1 12 . 1 1 35 35 SER H H 35 7.270 7.270 7.983 -0.713 18797 7117 1 12 . 1 1 36 36 PRO CA C 36 63.360 63.360 61.998 1.362 18797 7118 1 12 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.652 -1.182 18797 7119 1 12 . 1 1 37 37 LEU N N 37 123.000 123.000 121.077 1.923 18797 7120 1 12 . 1 1 37 37 LEU C C 37 176.300 176.300 177.185 -0.885 18797 7121 1 12 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.617 -0.777 18797 7122 1 12 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.396 1.294 18797 7123 1 12 . 1 1 37 37 LEU H H 37 7.910 7.910 8.151 -0.241 18797 7124 1 12 . 1 1 38 38 GLY N N 38 117.320 117.320 108.416 8.904 18797 7125 1 12 . 1 1 38 38 GLY C C 38 172.340 172.340 173.255 -0.915 18797 7126 1 12 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.121 0.309 18797 7127 1 12 . 1 1 38 38 GLY H H 38 9.110 9.110 8.095 1.015 18797 7128 1 12 . 1 1 39 39 VAL N N 39 116.550 116.550 125.038 -8.488 18797 7129 1 12 . 1 1 39 39 VAL C C 39 171.720 171.720 175.414 -3.694 18797 7130 1 12 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.990 -2.990 18797 7131 1 12 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.927 2.683 18797 7132 1 12 . 1 1 39 39 VAL H H 39 7.980 7.980 8.567 -0.587 18797 7133 1 12 . 1 1 40 40 ILE N N 40 125.640 125.640 127.416 -1.776 18797 7134 1 12 . 1 1 40 40 ILE C C 40 171.600 171.600 175.033 -3.433 18797 7135 1 12 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.422 -0.882 18797 7136 1 12 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.150 2.980 18797 7137 1 12 . 1 1 40 40 ILE H H 40 9.160 9.160 8.542 0.618 18797 7138 1 12 . 1 1 41 41 GLY N N 41 111.830 111.830 112.539 -0.709 18797 7139 1 12 . 1 1 41 41 GLY C C 41 172.000 172.000 171.992 0.008 18797 7140 1 12 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.055 -0.905 18797 7141 1 12 . 1 1 41 41 GLY H H 41 8.930 8.930 8.502 0.428 18797 7142 1 12 . 1 1 42 42 SER N N 42 116.940 116.940 117.775 -0.835 18797 7143 1 12 . 1 1 42 42 SER C C 42 172.100 172.100 172.864 -0.764 18797 7144 1 12 . 1 1 42 42 SER CA C 42 56.220 56.220 56.181 0.039 18797 7145 1 12 . 1 1 42 42 SER CB C 42 62.920 62.920 66.699 -3.779 18797 7146 1 12 . 1 1 42 42 SER H H 42 9.190 9.190 8.246 0.944 18797 7147 1 12 . 1 1 43 43 PHE N N 43 129.230 129.230 119.691 9.539 18797 7148 1 12 . 1 1 43 43 PHE C C 43 172.920 172.920 175.310 -2.390 18797 7149 1 12 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.453 -0.493 18797 7150 1 12 . 1 1 43 43 PHE CB C 43 42.430 42.430 43.023 -0.593 18797 7151 1 12 . 1 1 43 43 PHE H H 43 9.300 9.300 8.608 0.692 18797 7152 1 12 . 1 1 44 44 THR N N 44 126.530 126.530 116.904 9.626 18797 7153 1 12 . 1 1 44 44 THR C C 44 171.340 171.340 172.912 -1.572 18797 7154 1 12 . 1 1 44 44 THR CA C 44 60.410 60.410 59.692 0.718 18797 7155 1 12 . 1 1 44 44 THR CB C 44 70.220 70.220 71.535 -1.315 18797 7156 1 12 . 1 1 44 44 THR H H 44 8.820 8.820 8.491 0.329 18797 7157 1 12 . 1 1 45 45 TYR N N 45 125.840 125.840 126.624 -0.784 18797 7158 1 12 . 1 1 45 45 TYR C C 45 174.000 174.000 175.749 -1.749 18797 7159 1 12 . 1 1 45 45 TYR CA C 45 55.670 55.670 55.823 -0.153 18797 7160 1 12 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.083 -1.083 18797 7161 1 12 . 1 1 45 45 TYR H H 45 8.210 8.210 8.700 -0.490 18797 7162 1 12 . 1 1 46 46 THR N N 46 117.670 117.670 120.049 -2.379 18797 7163 1 12 . 1 1 46 46 THR C C 46 171.910 171.910 174.506 -2.596 18797 7164 1 12 . 1 1 46 46 THR CA C 46 58.720 58.720 61.219 -2.499 18797 7165 1 12 . 1 1 46 46 THR CB C 46 71.710 71.710 70.127 1.583 18797 7166 1 12 . 1 1 46 46 THR H H 46 8.550 8.550 8.280 0.270 18797 7167 1 12 . 1 1 47 47 GLU N N 47 112.160 112.160 124.024 -11.864 18797 7168 1 12 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.966 -0.386 18797 7169 1 12 . 1 1 47 47 GLU CB C 47 32.670 32.670 33.895 -1.225 18797 7170 1 12 . 1 1 47 47 GLU H H 47 8.170 8.170 9.125 -0.955 18797 7171 1 12 . 1 1 49 49 SER CA C 49 58.210 58.210 57.846 0.364 18797 7172 1 12 . 1 1 49 49 SER CB C 49 64.070 64.070 64.197 -0.127 18797 7173 1 12 . 1 1 49 49 SER H H 49 174.130 174.130 8.607 165.523 18797 7174 1 12 . 1 1 50 50 ARG N N 50 124.000 124.000 125.186 -1.186 18797 7175 1 12 . 1 1 50 50 ARG C C 50 176.270 176.270 174.970 1.300 18797 7176 1 12 . 1 1 50 50 ARG CA C 50 55.960 55.960 54.643 1.317 18797 7177 1 12 . 1 1 50 50 ARG CB C 50 30.980 30.980 33.438 -2.458 18797 7178 1 12 . 1 1 50 50 ARG H H 50 8.600 8.600 8.640 -0.040 18797 7179 1 12 . 1 1 51 51 THR N N 51 115.720 115.720 112.989 2.731 18797 7180 1 12 . 1 1 51 51 THR C C 51 174.400 174.400 174.480 -0.080 18797 7181 1 12 . 1 1 51 51 THR CA C 51 61.820 61.820 61.489 0.331 18797 7182 1 12 . 1 1 51 51 THR H H 51 8.240 8.240 8.162 0.078 18797 7183 1 12 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.979 -0.979 18797 7184 1 12 . 1 1 52 52 ALA CB C 52 18.800 18.800 18.002 0.798 18797 7185 1 12 . 1 1 52 52 ALA H H 52 175.230 175.230 8.249 166.981 18797 7186 1 12 . 1 1 53 53 SER N N 53 113.990 113.990 119.036 -5.046 18797 7187 1 12 . 1 1 53 53 SER C C 53 175.360 175.360 175.379 -0.019 18797 7188 1 12 . 1 1 53 53 SER CA C 53 58.350 58.350 56.972 1.378 18797 7189 1 12 . 1 1 53 53 SER CB C 53 62.930 62.930 63.989 -1.059 18797 7190 1 12 . 1 1 53 53 SER H H 53 8.000 8.000 7.712 0.288 18797 7191 1 12 . 1 1 54 54 SER N N 54 113.510 113.510 116.079 -2.569 18797 7192 1 12 . 1 1 54 54 SER C C 54 173.880 173.880 175.626 -1.746 18797 7193 1 12 . 1 1 54 54 SER CA C 54 58.500 58.500 59.882 -1.381 18797 7194 1 12 . 1 1 54 54 SER CB C 54 62.960 62.960 62.905 0.055 18797 7195 1 12 . 1 1 54 54 SER H H 54 8.050 8.050 8.634 -0.584 18797 7196 1 12 . 1 1 55 55 GLY N N 55 112.640 112.640 109.496 3.144 18797 7197 1 12 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.829 -0.629 18797 7198 1 12 . 1 1 55 55 GLY H H 55 8.140 8.140 7.574 0.566 18797 7199 1 12 . 1 1 56 56 ASP CA C 56 54.100 54.100 55.127 -1.027 18797 7200 1 12 . 1 1 56 56 ASP CB C 56 41.000 41.000 38.301 2.699 18797 7201 1 12 . 1 1 56 56 ASP H H 56 175.600 175.600 7.676 167.924 18797 7202 1 12 . 1 1 57 57 TYR N N 57 121.140 121.140 109.239 11.901 18797 7203 1 12 . 1 1 57 57 TYR CA C 57 57.280 57.280 59.743 -2.463 18797 7204 1 12 . 1 1 57 57 TYR CB C 57 38.400 38.400 36.139 2.261 18797 7205 1 12 . 1 1 57 57 TYR H H 57 8.150 8.150 8.389 -0.239 18797 7206 1 12 . 1 1 59 59 LYS CA C 59 55.410 55.410 58.744 -3.334 18797 7207 1 12 . 1 1 59 59 LYS CB C 59 34.220 34.220 33.330 0.890 18797 7208 1 12 . 1 1 60 60 ASN N N 60 122.740 122.740 115.402 7.338 18797 7209 1 12 . 1 1 60 60 ASN C C 60 175.260 175.260 173.908 1.352 18797 7210 1 12 . 1 1 60 60 ASN CA C 60 52.200 52.200 51.500 0.700 18797 7211 1 12 . 1 1 60 60 ASN CB C 60 40.230 40.230 41.535 -1.304 18797 7212 1 12 . 1 1 60 60 ASN H H 60 8.360 8.360 7.803 0.557 18797 7213 1 12 . 1 1 61 61 GLN N N 61 120.450 120.450 117.367 3.083 18797 7214 1 12 . 1 1 61 61 GLN C C 61 172.500 172.500 173.752 -1.252 18797 7215 1 12 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.862 -0.122 18797 7216 1 12 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.152 1.688 18797 7217 1 12 . 1 1 61 61 GLN H H 61 8.530 8.530 8.321 0.209 18797 7218 1 12 . 1 1 62 62 TYR N N 62 123.620 123.620 122.984 0.636 18797 7219 1 12 . 1 1 62 62 TYR C C 62 171.430 171.430 173.353 -1.923 18797 7220 1 12 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.348 0.492 18797 7221 1 12 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.349 -2.420 18797 7222 1 12 . 1 1 62 62 TYR H H 62 8.610 8.610 8.588 0.022 18797 7223 1 12 . 1 1 63 63 TYR N N 63 123.920 123.920 123.994 -0.074 18797 7224 1 12 . 1 1 63 63 TYR C C 63 174.280 174.280 174.331 -0.051 18797 7225 1 12 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.426 -0.846 18797 7226 1 12 . 1 1 63 63 TYR CB C 63 41.320 41.320 41.950 -0.630 18797 7227 1 12 . 1 1 63 63 TYR H H 63 8.400 8.400 7.788 0.612 18797 7228 1 12 . 1 1 64 64 GLY N N 64 107.510 107.510 109.459 -1.949 18797 7229 1 12 . 1 1 64 64 GLY C C 64 174.090 174.090 172.013 2.077 18797 7230 1 12 . 1 1 64 64 GLY CA C 64 44.570 44.570 44.121 0.449 18797 7231 1 12 . 1 1 64 64 GLY H H 64 8.760 8.760 8.476 0.284 18797 7232 1 12 . 1 1 65 65 ILE N N 65 128.470 128.470 125.236 3.234 18797 7233 1 12 . 1 1 65 65 ILE C C 65 174.350 174.350 174.833 -0.483 18797 7234 1 12 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.738 0.222 18797 7235 1 12 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.821 -1.081 18797 7236 1 12 . 1 1 65 65 ILE H H 65 8.900 8.900 8.258 0.642 18797 7237 1 12 . 1 1 66 66 THR N N 66 115.890 115.890 118.690 -2.800 18797 7238 1 12 . 1 1 66 66 THR C C 66 172.600 172.600 173.053 -0.453 18797 7239 1 12 . 1 1 66 66 THR CA C 66 58.670 58.670 59.135 -0.465 18797 7240 1 12 . 1 1 66 66 THR CB C 66 73.100 73.100 71.613 1.487 18797 7241 1 12 . 1 1 66 66 THR H H 66 8.900 8.900 8.311 0.589 18797 7242 1 12 . 1 1 67 67 ALA N N 67 119.730 119.730 123.024 -3.294 18797 7243 1 12 . 1 1 67 67 ALA C C 67 176.670 176.670 175.535 1.135 18797 7244 1 12 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.704 0.796 18797 7245 1 12 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.467 -0.407 18797 7246 1 12 . 1 1 67 67 ALA H H 67 9.370 9.370 8.460 0.910 18797 7247 1 12 . 1 1 68 68 GLY N N 68 104.240 104.240 107.030 -2.790 18797 7248 1 12 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.689 1.231 18797 7249 1 12 . 1 1 68 68 GLY H H 68 8.900 8.900 8.207 0.693 18797 7250 1 12 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.261 -0.221 18797 7251 1 12 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.917 -0.227 18797 7252 1 12 . 1 1 70 70 ALA N N 70 120.220 120.220 127.464 -7.244 18797 7253 1 12 . 1 1 70 70 ALA C C 70 175.590 175.590 175.866 -0.276 18797 7254 1 12 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.196 -1.706 18797 7255 1 12 . 1 1 70 70 ALA CB C 70 20.980 20.980 21.017 -0.037 18797 7256 1 12 . 1 1 70 70 ALA H H 70 7.870 7.870 8.857 -0.987 18797 7257 1 12 . 1 1 71 71 TYR N N 71 126.080 126.080 124.129 1.951 18797 7258 1 12 . 1 1 71 71 TYR C C 71 174.090 174.090 174.268 -0.178 18797 7259 1 12 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.164 -1.044 18797 7260 1 12 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.662 -0.742 18797 7261 1 12 . 1 1 71 71 TYR H H 71 9.780 9.780 9.212 0.568 18797 7262 1 12 . 1 1 72 72 ARG N N 72 131.410 131.410 128.976 2.434 18797 7263 1 12 . 1 1 72 72 ARG C C 72 174.160 174.160 174.574 -0.414 18797 7264 1 12 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.997 1.023 18797 7265 1 12 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.621 -1.001 18797 7266 1 12 . 1 1 72 72 ARG H H 72 8.770 8.770 8.144 0.626 18797 7267 1 12 . 1 1 73 73 ILE N N 73 129.550 129.550 127.306 2.244 18797 7268 1 12 . 1 1 73 73 ILE C C 73 175.730 175.730 175.949 -0.219 18797 7269 1 12 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.323 2.627 18797 7270 1 12 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.417 -0.907 18797 7271 1 12 . 1 1 73 73 ILE H H 73 8.400 8.400 8.672 -0.272 18797 7272 1 12 . 1 1 74 74 ASN N N 74 114.870 114.870 124.985 -10.115 18797 7273 1 12 . 1 1 74 74 ASN C C 74 174.860 174.860 175.322 -0.462 18797 7274 1 12 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.054 -3.224 18797 7275 1 12 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.528 -1.688 18797 7276 1 12 . 1 1 74 74 ASN H H 74 7.920 7.920 8.762 -0.842 18797 7277 1 12 . 1 1 75 75 ASP N N 75 113.980 113.980 119.329 -5.349 18797 7278 1 12 . 1 1 75 75 ASP C C 75 175.820 175.820 176.985 -1.165 18797 7279 1 12 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.846 3.074 18797 7280 1 12 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.121 -0.891 18797 7281 1 12 . 1 1 75 75 ASP H H 75 8.320 8.320 7.937 0.383 18797 7282 1 12 . 1 1 76 76 TRP N N 76 113.600 113.600 116.329 -2.729 18797 7283 1 12 . 1 1 76 76 TRP C C 76 176.310 176.310 175.237 1.073 18797 7284 1 12 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.638 -1.228 18797 7285 1 12 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.429 2.731 18797 7286 1 12 . 1 1 76 76 TRP H H 76 7.970 7.970 8.325 -0.355 18797 7287 1 12 . 1 1 77 77 ALA N N 77 125.520 125.520 122.298 3.222 18797 7288 1 12 . 1 1 77 77 ALA C C 77 175.620 175.620 177.298 -1.678 18797 7289 1 12 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.194 0.876 18797 7290 1 12 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.226 1.914 18797 7291 1 12 . 1 1 77 77 ALA H H 77 7.740 7.740 7.210 0.530 18797 7292 1 12 . 1 1 78 78 SER N N 78 114.140 114.140 116.193 -2.053 18797 7293 1 12 . 1 1 78 78 SER C C 78 170.060 170.060 173.868 -3.808 18797 7294 1 12 . 1 1 78 78 SER CA C 78 57.250 57.250 60.506 -3.256 18797 7295 1 12 . 1 1 78 78 SER CB C 78 65.320 65.320 64.290 1.030 18797 7296 1 12 . 1 1 78 78 SER H H 78 8.100 8.100 7.559 0.541 18797 7297 1 12 . 1 1 79 79 ILE N N 79 120.650 120.650 117.267 3.383 18797 7298 1 12 . 1 1 79 79 ILE C C 79 172.470 172.470 174.152 -1.682 18797 7299 1 12 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.342 -0.892 18797 7300 1 12 . 1 1 79 79 ILE CB C 79 42.100 42.100 42.100 0.000 18797 7301 1 12 . 1 1 79 79 ILE H H 79 8.960 8.960 8.284 0.676 18797 7302 1 12 . 1 1 80 80 TYR N N 80 120.580 120.580 121.537 -0.957 18797 7303 1 12 . 1 1 80 80 TYR C C 80 173.000 173.000 173.809 -0.809 18797 7304 1 12 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.544 0.436 18797 7305 1 12 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.462 -0.433 18797 7306 1 12 . 1 1 80 80 TYR H H 80 8.360 8.360 8.188 0.172 18797 7307 1 12 . 1 1 81 81 GLY N N 81 106.140 106.140 108.430 -2.290 18797 7308 1 12 . 1 1 81 81 GLY C C 81 170.920 170.920 172.652 -1.732 18797 7309 1 12 . 1 1 81 81 GLY CA C 81 44.000 44.000 44.105 -0.105 18797 7310 1 12 . 1 1 81 81 GLY H H 81 8.050 8.050 8.270 -0.220 18797 7311 1 12 . 1 1 82 82 VAL N N 82 111.380 111.380 119.440 -8.060 18797 7312 1 12 . 1 1 82 82 VAL C C 82 174.370 174.370 173.815 0.555 18797 7313 1 12 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.034 -0.854 18797 7314 1 12 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.986 -0.546 18797 7315 1 12 . 1 1 82 82 VAL H H 82 8.490 8.490 8.765 -0.275 18797 7316 1 12 . 1 1 83 83 VAL N N 83 113.660 113.660 116.375 -2.715 18797 7317 1 12 . 1 1 83 83 VAL C C 83 174.680 174.680 174.902 -0.222 18797 7318 1 12 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.574 -0.484 18797 7319 1 12 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.603 1.417 18797 7320 1 12 . 1 1 83 83 VAL H H 83 8.970 8.970 8.329 0.641 18797 7321 1 12 . 1 1 84 84 GLY N N 84 108.310 108.310 111.242 -2.932 18797 7322 1 12 . 1 1 84 84 GLY C C 84 171.440 171.440 172.068 -0.628 18797 7323 1 12 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.460 2.310 18797 7324 1 12 . 1 1 84 84 GLY H H 84 8.480 8.480 8.355 0.125 18797 7325 1 12 . 1 1 85 85 VAL N N 85 122.520 122.520 119.424 3.096 18797 7326 1 12 . 1 1 85 85 VAL C C 85 172.560 172.560 175.196 -2.636 18797 7327 1 12 . 1 1 85 85 VAL CA C 85 59.170 59.170 61.004 -1.834 18797 7328 1 12 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.305 1.505 18797 7329 1 12 . 1 1 85 85 VAL H H 85 8.920 8.920 8.010 0.910 18797 7330 1 12 . 1 1 86 86 GLY N N 86 113.360 113.360 114.552 -1.192 18797 7331 1 12 . 1 1 86 86 GLY C C 86 172.210 172.210 171.923 0.287 18797 7332 1 12 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.706 -0.426 18797 7333 1 12 . 1 1 86 86 GLY H H 86 8.880 8.880 8.492 0.388 18797 7334 1 12 . 1 1 87 87 TYR N N 87 123.830 123.830 120.081 3.749 18797 7335 1 12 . 1 1 87 87 TYR C C 87 174.030 174.030 173.334 0.696 18797 7336 1 12 . 1 1 87 87 TYR CA C 87 55.930 55.930 54.870 1.060 18797 7337 1 12 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.514 0.516 18797 7338 1 12 . 1 1 87 87 TYR H H 87 9.310 9.310 8.037 1.273 18797 7339 1 12 . 1 1 88 88 GLY N N 88 112.300 112.300 107.396 4.904 18797 7340 1 12 . 1 1 88 88 GLY C C 88 170.620 170.620 172.304 -1.684 18797 7341 1 12 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.809 0.591 18797 7342 1 12 . 1 1 88 88 GLY H H 88 8.000 8.000 8.669 -0.669 18797 7343 1 12 . 1 1 89 89 LYS N N 89 122.410 122.410 122.013 0.397 18797 7344 1 12 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.666 -0.186 18797 7345 1 12 . 1 1 89 89 LYS H H 89 8.230 8.230 8.678 -0.448 18797 7346 1 12 . 1 1 90 90 PHE C C 90 175.190 175.190 173.928 1.262 18797 7347 1 12 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.087 -2.058 18797 7348 1 12 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.858 -1.348 18797 7349 1 12 . 1 1 91 91 GLN N N 91 122.380 122.380 126.820 -4.440 18797 7350 1 12 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.415 0.915 18797 7351 1 12 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.999 -2.299 18797 7352 1 12 . 1 1 91 91 GLN H H 91 8.370 8.370 7.715 0.655 18797 7353 1 12 . 1 1 94 94 GLU N N 94 175.780 175.780 121.443 54.337 18797 7354 1 12 . 1 1 94 94 GLU CA C 94 57.030 57.030 55.644 1.387 18797 7355 1 12 . 1 1 94 94 GLU CB C 94 29.460 29.460 31.137 -1.677 18797 7356 1 12 . 1 1 95 95 TYR N N 95 120.240 120.240 123.962 -3.722 18797 7357 1 12 . 1 1 95 95 TYR CA C 95 55.290 55.290 55.258 0.032 18797 7358 1 12 . 1 1 95 95 TYR CB C 95 37.730 37.730 38.313 -0.583 18797 7359 1 12 . 1 1 95 95 TYR H H 95 7.830 7.830 8.947 -1.117 18797 7360 1 12 . 1 1 97 97 THR CA C 97 62.210 62.210 61.074 1.136 18797 7361 1 12 . 1 1 97 97 THR H H 97 174.320 174.320 7.582 166.738 18797 7362 1 12 . 1 1 98 98 TYR N N 98 122.540 122.540 123.001 -0.461 18797 7363 1 12 . 1 1 98 98 TYR C C 98 175.000 175.000 176.147 -1.147 18797 7364 1 12 . 1 1 98 98 TYR CA C 98 57.530 57.530 60.420 -2.890 18797 7365 1 12 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.511 -0.161 18797 7366 1 12 . 1 1 98 98 TYR H H 98 8.040 8.040 8.608 -0.568 18797 7367 1 12 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.647 0.374 18797 7368 1 12 . 1 1 101 101 ASP CB C 101 39.700 39.700 43.170 -3.470 18797 7369 1 12 . 1 1 101 101 ASP H H 101 176.040 176.040 8.003 168.037 18797 7370 1 12 . 1 1 102 102 THR N N 102 117.650 117.650 116.393 1.257 18797 7371 1 12 . 1 1 102 102 THR C C 102 173.840 173.840 173.139 0.701 18797 7372 1 12 . 1 1 102 102 THR CA C 102 61.590 61.590 62.496 -0.906 18797 7373 1 12 . 1 1 102 102 THR CB C 102 69.970 69.970 71.657 -1.687 18797 7374 1 12 . 1 1 102 102 THR H H 102 8.520 8.520 8.468 0.052 18797 7375 1 12 . 1 1 103 103 SER N N 103 119.470 119.470 119.861 -0.391 18797 7376 1 12 . 1 1 103 103 SER C C 103 173.580 173.580 172.666 0.914 18797 7377 1 12 . 1 1 103 103 SER CA C 103 57.310 57.310 57.145 0.165 18797 7378 1 12 . 1 1 103 103 SER H H 103 8.240 8.240 8.608 -0.368 18797 7379 1 12 . 1 1 104 104 ASP N N 104 122.250 122.250 126.501 -4.251 18797 7380 1 12 . 1 1 104 104 ASP C C 104 173.100 173.100 174.442 -1.342 18797 7381 1 12 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.781 -0.181 18797 7382 1 12 . 1 1 104 104 ASP CB C 104 44.060 44.060 44.738 -0.678 18797 7383 1 12 . 1 1 104 104 ASP H H 104 8.270 8.270 8.323 -0.053 18797 7384 1 12 . 1 1 105 105 TYR N N 105 116.040 116.040 118.411 -2.371 18797 7385 1 12 . 1 1 105 105 TYR C C 105 175.860 175.860 174.503 1.357 18797 7386 1 12 . 1 1 105 105 TYR CA C 105 55.550 55.550 55.928 -0.379 18797 7387 1 12 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.232 0.398 18797 7388 1 12 . 1 1 105 105 TYR H H 105 8.560 8.560 8.253 0.307 18797 7389 1 12 . 1 1 106 106 GLY N N 106 108.500 108.500 108.278 0.222 18797 7390 1 12 . 1 1 106 106 GLY C C 106 172.030 172.030 171.736 0.294 18797 7391 1 12 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.050 0.440 18797 7392 1 12 . 1 1 106 106 GLY H H 106 9.190 9.190 8.740 0.450 18797 7393 1 12 . 1 1 107 107 PHE N N 107 121.420 121.420 118.256 3.164 18797 7394 1 12 . 1 1 107 107 PHE C C 107 175.430 175.430 175.306 0.124 18797 7395 1 12 . 1 1 107 107 PHE CA C 107 57.540 57.540 57.193 0.347 18797 7396 1 12 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.029 -0.828 18797 7397 1 12 . 1 1 107 107 PHE H H 107 8.860 8.860 8.566 0.294 18797 7398 1 12 . 1 1 108 108 SER N N 108 123.250 123.250 118.288 4.962 18797 7399 1 12 . 1 1 108 108 SER C C 108 171.430 171.430 173.156 -1.726 18797 7400 1 12 . 1 1 108 108 SER CA C 108 56.100 56.100 57.181 -1.081 18797 7401 1 12 . 1 1 108 108 SER CB C 108 65.720 65.720 65.473 0.247 18797 7402 1 12 . 1 1 108 108 SER H H 108 8.110 8.110 8.648 -0.538 18797 7403 1 12 . 1 1 109 109 TYR N N 109 117.840 117.840 122.386 -4.546 18797 7404 1 12 . 1 1 109 109 TYR C C 109 173.560 173.560 175.327 -1.767 18797 7405 1 12 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.279 -0.959 18797 7406 1 12 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.409 -2.849 18797 7407 1 12 . 1 1 109 109 TYR H H 109 8.480 8.480 8.621 -0.141 18797 7408 1 12 . 1 1 110 110 GLY N N 110 106.400 106.400 108.406 -2.006 18797 7409 1 12 . 1 1 110 110 GLY C C 110 171.350 171.350 171.421 -0.071 18797 7410 1 12 . 1 1 110 110 GLY CA C 110 46.160 46.160 43.700 2.460 18797 7411 1 12 . 1 1 110 110 GLY H H 110 8.980 8.980 8.626 0.354 18797 7412 1 12 . 1 1 111 111 ALA N N 111 119.140 119.140 122.109 -2.969 18797 7413 1 12 . 1 1 111 111 ALA C C 111 174.640 174.640 174.761 -0.121 18797 7414 1 12 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.204 0.766 18797 7415 1 12 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.701 -0.551 18797 7416 1 12 . 1 1 111 111 ALA H H 111 8.390 8.390 7.606 0.784 18797 7417 1 12 . 1 1 112 112 GLY N N 112 106.070 106.070 106.761 -0.691 18797 7418 1 12 . 1 1 112 112 GLY C C 112 169.770 169.770 171.882 -2.112 18797 7419 1 12 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.409 0.861 18797 7420 1 12 . 1 1 112 112 GLY H H 112 7.820 7.820 7.549 0.271 18797 7421 1 12 . 1 1 113 113 LEU N N 113 116.370 116.370 120.403 -4.033 18797 7422 1 12 . 1 1 113 113 LEU C C 113 175.090 175.090 176.148 -1.058 18797 7423 1 12 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.341 -0.651 18797 7424 1 12 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.100 1.460 18797 7425 1 12 . 1 1 113 113 LEU H H 113 8.930 8.930 8.401 0.529 18797 7426 1 12 . 1 1 114 114 GLN N N 114 115.860 115.860 118.950 -3.090 18797 7427 1 12 . 1 1 114 114 GLN C C 114 176.910 176.910 174.651 2.259 18797 7428 1 12 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.612 -0.882 18797 7429 1 12 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.885 0.405 18797 7430 1 12 . 1 1 114 114 GLN H H 114 7.860 7.860 8.605 -0.745 18797 7431 1 12 . 1 1 115 115 PHE N N 115 126.580 126.580 123.742 2.838 18797 7432 1 12 . 1 1 115 115 PHE C C 115 175.740 175.740 172.780 2.960 18797 7433 1 12 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.513 -2.313 18797 7434 1 12 . 1 1 115 115 PHE CB C 115 43.370 43.370 42.150 1.220 18797 7435 1 12 . 1 1 115 115 PHE H H 115 9.750 9.750 8.692 1.058 18797 7436 1 12 . 1 1 116 116 ASN N N 116 119.920 119.920 126.650 -6.730 18797 7437 1 12 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.644 0.556 18797 7438 1 12 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.963 -0.313 18797 7439 1 12 . 1 1 116 116 ASN H H 116 9.450 9.450 8.336 1.114 18797 7440 1 12 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.600 2.100 18797 7441 1 12 . 1 1 118 118 MET N N 118 110.530 110.530 118.160 -7.630 18797 7442 1 12 . 1 1 118 118 MET C C 118 176.130 176.130 176.695 -0.565 18797 7443 1 12 . 1 1 118 118 MET CA C 118 53.980 53.980 56.857 -2.877 18797 7444 1 12 . 1 1 118 118 MET CB C 118 36.310 36.310 32.724 3.586 18797 7445 1 12 . 1 1 118 118 MET H H 118 7.310 7.310 8.216 -0.906 18797 7446 1 12 . 1 1 119 119 GLU N N 119 120.320 120.320 116.271 4.049 18797 7447 1 12 . 1 1 119 119 GLU C C 119 176.810 176.810 177.208 -0.398 18797 7448 1 12 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.384 2.216 18797 7449 1 12 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.231 -0.081 18797 7450 1 12 . 1 1 119 119 GLU H H 119 9.120 9.120 8.784 0.336 18797 7451 1 12 . 1 1 120 120 ASN N N 120 112.490 112.490 117.432 -4.942 18797 7452 1 12 . 1 1 120 120 ASN C C 120 174.080 174.080 176.651 -2.571 18797 7453 1 12 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.361 -1.961 18797 7454 1 12 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.327 0.503 18797 7455 1 12 . 1 1 120 120 ASN H H 120 8.430 8.430 8.695 -0.265 18797 7456 1 12 . 1 1 121 121 VAL N N 121 117.760 117.760 113.601 4.159 18797 7457 1 12 . 1 1 121 121 VAL C C 121 174.750 174.750 175.182 -0.432 18797 7458 1 12 . 1 1 121 121 VAL CA C 121 60.690 60.690 61.879 -1.189 18797 7459 1 12 . 1 1 121 121 VAL CB C 121 34.900 34.900 30.889 4.011 18797 7460 1 12 . 1 1 121 121 VAL H H 121 7.500 7.500 7.256 0.244 18797 7461 1 12 . 1 1 122 122 ALA N N 122 127.190 127.190 123.581 3.609 18797 7462 1 12 . 1 1 122 122 ALA C C 122 175.140 175.140 175.817 -0.677 18797 7463 1 12 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.582 -1.192 18797 7464 1 12 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.921 0.899 18797 7465 1 12 . 1 1 122 122 ALA H H 122 8.230 8.230 7.374 0.856 18797 7466 1 12 . 1 1 123 123 LEU N N 123 120.270 120.270 116.361 3.909 18797 7467 1 12 . 1 1 123 123 LEU C C 123 174.310 174.310 174.709 -0.399 18797 7468 1 12 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.442 0.218 18797 7469 1 12 . 1 1 123 123 LEU CB C 123 44.510 44.510 45.524 -1.014 18797 7470 1 12 . 1 1 123 123 LEU H H 123 8.910 8.910 8.564 0.346 18797 7471 1 12 . 1 1 124 124 ASP N N 124 127.350 127.350 119.619 7.731 18797 7472 1 12 . 1 1 124 124 ASP C C 124 171.830 171.830 174.164 -2.334 18797 7473 1 12 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.858 0.962 18797 7474 1 12 . 1 1 124 124 ASP CB C 124 47.490 47.490 45.691 1.799 18797 7475 1 12 . 1 1 124 124 ASP H H 124 8.580 8.580 8.055 0.525 18797 7476 1 12 . 1 1 125 125 PHE N N 125 123.390 123.390 120.793 2.597 18797 7477 1 12 . 1 1 125 125 PHE C C 125 174.130 174.130 174.863 -0.733 18797 7478 1 12 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.400 -0.740 18797 7479 1 12 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.443 0.257 18797 7480 1 12 . 1 1 125 125 PHE H H 125 8.670 8.670 8.224 0.446 18797 7481 1 12 . 1 1 126 126 SER N N 126 118.680 118.680 117.962 0.718 18797 7482 1 12 . 1 1 126 126 SER C C 126 169.980 169.980 172.841 -2.861 18797 7483 1 12 . 1 1 126 126 SER CA C 126 58.120 58.120 56.755 1.365 18797 7484 1 12 . 1 1 126 126 SER CB C 126 66.950 66.950 66.648 0.302 18797 7485 1 12 . 1 1 126 126 SER H H 126 9.390 9.390 8.874 0.516 18797 7486 1 12 . 1 1 127 127 TYR N N 127 119.080 119.080 118.259 0.821 18797 7487 1 12 . 1 1 127 127 TYR C C 127 174.390 174.390 173.796 0.594 18797 7488 1 12 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.213 0.227 18797 7489 1 12 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.939 1.161 18797 7490 1 12 . 1 1 127 127 TYR H H 127 8.610 8.610 8.524 0.086 18797 7491 1 12 . 1 1 128 128 GLU N N 128 130.070 130.070 121.384 8.686 18797 7492 1 12 . 1 1 128 128 GLU C C 128 172.590 172.590 174.856 -2.266 18797 7493 1 12 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.319 -0.189 18797 7494 1 12 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.960 -0.460 18797 7495 1 12 . 1 1 128 128 GLU H H 128 8.510 8.510 8.861 -0.351 18797 7496 1 12 . 1 1 129 129 GLN N N 129 128.670 128.670 126.974 1.696 18797 7497 1 12 . 1 1 129 129 GLN C C 129 173.690 173.690 174.678 -0.988 18797 7498 1 12 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.466 -1.256 18797 7499 1 12 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.569 -1.519 18797 7500 1 12 . 1 1 129 129 GLN H H 129 9.330 9.330 8.863 0.467 18797 7501 1 12 . 1 1 130 130 SER N N 130 118.630 118.630 122.382 -3.752 18797 7502 1 12 . 1 1 130 130 SER C C 130 174.210 174.210 174.124 0.086 18797 7503 1 12 . 1 1 130 130 SER CA C 130 56.450 56.450 57.159 -0.709 18797 7504 1 12 . 1 1 130 130 SER CB C 130 66.260 66.260 66.085 0.175 18797 7505 1 12 . 1 1 130 130 SER H H 130 8.580 8.580 8.164 0.416 18797 7506 1 12 . 1 1 131 131 ARG N N 131 126.850 126.850 123.361 3.489 18797 7507 1 12 . 1 1 131 131 ARG C C 131 174.740 174.740 176.266 -1.526 18797 7508 1 12 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.742 -0.402 18797 7509 1 12 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.595 -0.685 18797 7510 1 12 . 1 1 131 131 ARG H H 131 7.690 7.690 8.959 -1.269 18797 7511 1 12 . 1 1 132 132 ILE N N 132 129.470 129.470 125.403 4.067 18797 7512 1 12 . 1 1 132 132 ILE C C 132 175.500 175.500 175.464 0.036 18797 7513 1 12 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.097 -2.207 18797 7514 1 12 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.741 0.579 18797 7515 1 12 . 1 1 132 132 ILE H H 132 8.730 8.730 8.646 0.084 18797 7516 1 12 . 1 1 133 133 ARG N N 133 127.220 127.220 128.357 -1.137 18797 7517 1 12 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.420 2.690 18797 7518 1 12 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.881 -3.562 18797 7519 1 12 . 1 1 133 133 ARG H H 133 9.400 9.400 8.205 1.195 18797 7520 1 12 . 1 1 134 134 SER C C 134 173.290 173.290 173.363 -0.073 18797 7521 1 12 . 1 1 134 134 SER CA C 134 58.490 58.490 60.387 -1.897 18797 7522 1 12 . 1 1 134 134 SER CB C 134 62.860 62.860 63.139 -0.279 18797 7523 1 12 . 1 1 135 135 VAL N N 135 124.810 124.810 119.968 4.842 18797 7524 1 12 . 1 1 135 135 VAL C C 135 174.650 174.650 174.081 0.569 18797 7525 1 12 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.298 0.572 18797 7526 1 12 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.423 -2.363 18797 7527 1 12 . 1 1 135 135 VAL H H 135 8.270 8.270 7.321 0.949 18797 7528 1 12 . 1 1 136 136 ASP N N 136 127.750 127.750 126.024 1.726 18797 7529 1 12 . 1 1 136 136 ASP C C 136 175.130 175.130 175.470 -0.340 18797 7530 1 12 . 1 1 136 136 ASP CA C 136 54.220 54.220 53.011 1.209 18797 7531 1 12 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.657 -1.907 18797 7532 1 12 . 1 1 136 136 ASP H H 136 8.010 8.010 8.515 -0.505 18797 7533 1 12 . 1 1 137 137 VAL N N 137 124.520 124.520 124.436 0.084 18797 7534 1 12 . 1 1 137 137 VAL C C 137 174.690 174.690 174.908 -0.218 18797 7535 1 12 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.366 -0.916 18797 7536 1 12 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.306 -0.506 18797 7537 1 12 . 1 1 137 137 VAL H H 137 8.720 8.720 7.776 0.944 18797 7538 1 12 . 1 1 138 138 GLY N N 138 116.920 116.920 115.312 1.608 18797 7539 1 12 . 1 1 138 138 GLY C C 138 172.930 172.930 173.061 -0.131 18797 7540 1 12 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.479 0.001 18797 7541 1 12 . 1 1 138 138 GLY H H 138 8.240 8.240 8.651 -0.411 18797 7542 1 12 . 1 1 139 139 THR N N 139 125.070 125.070 123.080 1.990 18797 7543 1 12 . 1 1 139 139 THR C C 139 171.920 171.920 173.383 -1.463 18797 7544 1 12 . 1 1 139 139 THR CA C 139 60.890 60.890 61.214 -0.324 18797 7545 1 12 . 1 1 139 139 THR CB C 139 70.290 70.290 71.688 -1.397 18797 7546 1 12 . 1 1 139 139 THR H H 139 8.710 8.710 8.044 0.666 18797 7547 1 12 . 1 1 140 140 TRP N N 140 125.840 125.840 125.922 -0.082 18797 7548 1 12 . 1 1 140 140 TRP C C 140 175.070 175.070 173.791 1.279 18797 7549 1 12 . 1 1 140 140 TRP CA C 140 55.130 55.130 54.911 0.219 18797 7550 1 12 . 1 1 140 140 TRP CB C 140 32.100 32.100 31.668 0.432 18797 7551 1 12 . 1 1 140 140 TRP H H 140 8.330 8.330 7.866 0.464 18797 7552 1 12 . 1 1 141 141 ILE N N 141 123.240 123.240 123.225 0.015 18797 7553 1 12 . 1 1 141 141 ILE C C 141 174.870 174.870 173.444 1.426 18797 7554 1 12 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.737 1.653 18797 7555 1 12 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.429 -1.799 18797 7556 1 12 . 1 1 141 141 ILE H H 141 8.980 8.980 8.829 0.151 18797 7557 1 12 . 1 1 142 142 ALA N N 142 127.680 127.680 128.795 -1.115 18797 7558 1 12 . 1 1 142 142 ALA C C 142 175.700 175.700 175.490 0.210 18797 7559 1 12 . 1 1 142 142 ALA CA C 142 50.530 50.530 49.675 0.855 18797 7560 1 12 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.226 -0.016 18797 7561 1 12 . 1 1 142 142 ALA H H 142 8.350 8.350 8.140 0.210 18797 7562 1 12 . 1 1 143 143 GLY N N 143 109.030 109.030 109.444 -0.414 18797 7563 1 12 . 1 1 143 143 GLY C C 143 172.090 172.090 171.337 0.753 18797 7564 1 12 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.055 1.375 18797 7565 1 12 . 1 1 143 143 GLY H H 143 9.520 9.520 8.072 1.448 18797 7566 1 12 . 1 1 144 144 VAL N N 144 114.110 114.110 120.660 -6.550 18797 7567 1 12 . 1 1 144 144 VAL C C 144 174.010 174.010 174.170 -0.160 18797 7568 1 12 . 1 1 144 144 VAL CA C 144 58.270 58.270 59.282 -1.012 18797 7569 1 12 . 1 1 144 144 VAL CB C 144 35.490 35.490 35.804 -0.314 18797 7570 1 12 . 1 1 144 144 VAL H H 144 8.750 8.750 8.323 0.427 18797 7571 1 12 . 1 1 145 145 GLY N N 145 107.360 107.360 114.345 -6.985 18797 7572 1 12 . 1 1 145 145 GLY C C 145 171.210 171.210 171.687 -0.477 18797 7573 1 12 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.903 1.867 18797 7574 1 12 . 1 1 145 145 GLY H H 145 8.590 8.590 8.564 0.026 18797 7575 1 12 . 1 1 146 146 TYR N N 146 121.960 121.960 115.000 6.960 18797 7576 1 12 . 1 1 146 146 TYR C C 146 172.440 172.440 173.400 -0.960 18797 7577 1 12 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.341 -0.091 18797 7578 1 12 . 1 1 146 146 TYR CB C 146 44.270 44.270 40.932 3.337 18797 7579 1 12 . 1 1 146 146 TYR H H 146 8.370 8.370 7.913 0.457 18797 7580 1 12 . 1 1 147 147 ARG N N 147 129.590 129.590 118.982 10.608 18797 7581 1 12 . 1 1 147 147 ARG C C 147 173.850 173.850 176.020 -2.170 18797 7582 1 12 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.425 -1.065 18797 7583 1 12 . 1 1 147 147 ARG CB C 147 32.420 32.420 32.884 -0.464 18797 7584 1 12 . 1 1 147 147 ARG H H 147 7.690 7.690 8.411 -0.721 18797 7585 1 13 . 1 1 2 2 THR N N 2 114.280 114.280 113.363 0.917 18797 7586 1 13 . 1 1 2 2 THR C C 2 173.570 173.570 172.691 0.879 18797 7587 1 13 . 1 1 2 2 THR CA C 2 61.040 61.040 60.946 0.094 18797 7588 1 13 . 1 1 2 2 THR CB C 2 71.930 71.930 71.771 0.159 18797 7589 1 13 . 1 1 2 2 THR H H 2 8.490 8.490 7.996 0.494 18797 7590 1 13 . 1 1 3 3 SER N N 3 122.430 122.430 116.452 5.978 18797 7591 1 13 . 1 1 3 3 SER C C 3 172.590 172.590 172.968 -0.378 18797 7592 1 13 . 1 1 3 3 SER CA C 3 56.760 56.760 57.655 -0.895 18797 7593 1 13 . 1 1 3 3 SER CB C 3 65.480 65.480 66.560 -1.080 18797 7594 1 13 . 1 1 3 3 SER H H 3 9.000 9.000 8.381 0.619 18797 7595 1 13 . 1 1 4 4 THR N N 4 117.240 117.240 116.546 0.694 18797 7596 1 13 . 1 1 4 4 THR C C 4 174.640 174.640 172.991 1.649 18797 7597 1 13 . 1 1 4 4 THR CA C 4 61.390 61.390 61.397 -0.007 18797 7598 1 13 . 1 1 4 4 THR CB C 4 70.680 70.680 71.572 -0.892 18797 7599 1 13 . 1 1 4 4 THR H H 4 8.610 8.610 8.156 0.454 18797 7600 1 13 . 1 1 5 5 VAL N N 5 129.440 129.440 124.235 5.205 18797 7601 1 13 . 1 1 5 5 VAL C C 5 174.770 174.770 174.591 0.179 18797 7602 1 13 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.362 -0.602 18797 7603 1 13 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.811 -0.321 18797 7604 1 13 . 1 1 5 5 VAL H H 5 8.750 8.750 7.930 0.820 18797 7605 1 13 . 1 1 6 6 THR N N 6 116.430 116.430 121.383 -4.953 18797 7606 1 13 . 1 1 6 6 THR C C 6 172.930 172.930 173.037 -0.107 18797 7607 1 13 . 1 1 6 6 THR CA C 6 58.590 58.590 59.407 -0.817 18797 7608 1 13 . 1 1 6 6 THR CB C 6 70.930 70.930 70.806 0.124 18797 7609 1 13 . 1 1 6 6 THR H H 6 8.890 8.890 8.585 0.305 18797 7610 1 13 . 1 1 7 7 GLY N N 7 105.590 105.590 112.753 -7.163 18797 7611 1 13 . 1 1 7 7 GLY C C 7 172.430 172.430 172.186 0.244 18797 7612 1 13 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.785 0.535 18797 7613 1 13 . 1 1 7 7 GLY H H 7 8.760 8.760 8.474 0.286 18797 7614 1 13 . 1 1 8 8 GLY N N 8 106.530 106.530 110.021 -3.491 18797 7615 1 13 . 1 1 8 8 GLY C C 8 173.030 173.030 171.543 1.487 18797 7616 1 13 . 1 1 8 8 GLY CA C 8 45.930 45.930 45.118 0.812 18797 7617 1 13 . 1 1 8 8 GLY H H 8 9.100 9.100 8.155 0.945 18797 7618 1 13 . 1 1 9 9 TYR N N 9 121.730 121.730 120.578 1.152 18797 7619 1 13 . 1 1 9 9 TYR C C 9 172.390 172.390 173.230 -0.840 18797 7620 1 13 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.019 0.821 18797 7621 1 13 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.666 -1.586 18797 7622 1 13 . 1 1 9 9 TYR H H 9 8.410 8.410 8.256 0.154 18797 7623 1 13 . 1 1 10 10 ALA N N 10 128.460 128.460 127.117 1.343 18797 7624 1 13 . 1 1 10 10 ALA C C 10 174.020 174.020 174.804 -0.784 18797 7625 1 13 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.482 -1.272 18797 7626 1 13 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.819 -0.599 18797 7627 1 13 . 1 1 10 10 ALA H H 10 6.910 6.910 8.123 -1.213 18797 7628 1 13 . 1 1 11 11 GLN N N 11 118.830 118.830 120.397 -1.567 18797 7629 1 13 . 1 1 11 11 GLN C C 11 175.650 175.650 174.943 0.707 18797 7630 1 13 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.487 0.343 18797 7631 1 13 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.519 -0.459 18797 7632 1 13 . 1 1 11 11 GLN H H 11 8.100 8.100 8.509 -0.409 18797 7633 1 13 . 1 1 12 12 SER N N 12 124.200 124.200 118.224 5.976 18797 7634 1 13 . 1 1 12 12 SER C C 12 172.710 172.710 174.017 -1.307 18797 7635 1 13 . 1 1 12 12 SER CA C 12 57.190 57.190 56.288 0.902 18797 7636 1 13 . 1 1 12 12 SER CB C 12 64.180 64.180 65.648 -1.468 18797 7637 1 13 . 1 1 12 12 SER H H 12 9.160 9.160 8.407 0.753 18797 7638 1 13 . 1 1 13 13 ASP N N 13 124.950 124.950 127.923 -2.973 18797 7639 1 13 . 1 1 13 13 ASP C C 13 174.860 174.860 175.090 -0.230 18797 7640 1 13 . 1 1 13 13 ASP CA C 13 52.960 52.960 54.437 -1.477 18797 7641 1 13 . 1 1 13 13 ASP CB C 13 42.920 42.920 41.828 1.092 18797 7642 1 13 . 1 1 13 13 ASP H H 13 9.070 9.070 8.139 0.931 18797 7643 1 13 . 1 1 14 14 ALA N N 14 128.730 128.730 126.556 2.174 18797 7644 1 13 . 1 1 14 14 ALA C C 14 176.230 176.230 176.714 -0.484 18797 7645 1 13 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.515 -1.705 18797 7646 1 13 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.692 -1.192 18797 7647 1 13 . 1 1 14 14 ALA H H 14 8.560 8.560 8.075 0.485 18797 7648 1 13 . 1 1 15 15 GLN N N 15 122.750 122.750 122.234 0.516 18797 7649 1 13 . 1 1 15 15 GLN C C 15 176.660 176.660 176.561 0.099 18797 7650 1 13 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.602 2.518 18797 7651 1 13 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.544 -2.384 18797 7652 1 13 . 1 1 15 15 GLN H H 15 8.340 8.340 8.592 -0.252 18797 7653 1 13 . 1 1 16 16 GLY N N 16 112.800 112.800 109.073 3.727 18797 7654 1 13 . 1 1 16 16 GLY C C 16 174.400 174.400 174.312 0.088 18797 7655 1 13 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.636 -0.456 18797 7656 1 13 . 1 1 16 16 GLY H H 16 8.650 8.650 8.541 0.109 18797 7657 1 13 . 1 1 17 17 GLN N N 17 119.300 119.300 118.585 0.715 18797 7658 1 13 . 1 1 17 17 GLN C C 17 175.720 175.720 174.457 1.263 18797 7659 1 13 . 1 1 17 17 GLN CA C 17 54.600 54.600 57.188 -2.588 18797 7660 1 13 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.839 4.961 18797 7661 1 13 . 1 1 17 17 GLN H H 17 8.080 8.080 8.661 -0.581 18797 7662 1 13 . 1 1 18 18 MET N N 18 120.170 120.170 115.264 4.906 18797 7663 1 13 . 1 1 18 18 MET C C 18 175.400 175.400 173.915 1.485 18797 7664 1 13 . 1 1 18 18 MET CA C 18 55.980 55.980 54.670 1.310 18797 7665 1 13 . 1 1 18 18 MET CB C 18 35.590 35.590 36.228 -0.638 18797 7666 1 13 . 1 1 18 18 MET H H 18 8.370 8.370 7.622 0.748 18797 7667 1 13 . 1 1 19 19 ASN N N 19 117.900 117.900 119.233 -1.333 18797 7668 1 13 . 1 1 19 19 ASN C C 19 174.400 174.400 174.430 -0.030 18797 7669 1 13 . 1 1 19 19 ASN CA C 19 52.300 52.300 51.936 0.364 18797 7670 1 13 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.547 -0.147 18797 7671 1 13 . 1 1 19 19 ASN H H 19 7.990 7.990 8.493 -0.503 18797 7672 1 13 . 1 1 20 20 LYS N N 20 120.800 120.800 119.978 0.822 18797 7673 1 13 . 1 1 20 20 LYS C C 20 176.410 176.410 176.134 0.276 18797 7674 1 13 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.093 -1.393 18797 7675 1 13 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.502 -1.602 18797 7676 1 13 . 1 1 20 20 LYS H H 20 8.340 8.340 8.447 -0.107 18797 7677 1 13 . 1 1 21 21 MET N N 21 120.500 120.500 117.972 2.528 18797 7678 1 13 . 1 1 21 21 MET C C 21 175.270 175.270 175.463 -0.193 18797 7679 1 13 . 1 1 21 21 MET CA C 21 54.800 54.800 54.599 0.201 18797 7680 1 13 . 1 1 21 21 MET CB C 21 34.730 34.730 37.145 -2.415 18797 7681 1 13 . 1 1 21 21 MET H H 21 8.580 8.580 7.878 0.702 18797 7682 1 13 . 1 1 22 22 GLY N N 22 111.280 111.280 107.966 3.314 18797 7683 1 13 . 1 1 22 22 GLY C C 22 174.030 174.030 172.096 1.934 18797 7684 1 13 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.861 -0.051 18797 7685 1 13 . 1 1 22 22 GLY H H 22 8.430 8.430 8.339 0.091 18797 7686 1 13 . 1 1 23 23 GLY N N 23 120.170 120.170 109.128 11.042 18797 7687 1 13 . 1 1 23 23 GLY C C 23 171.850 171.850 171.760 0.090 18797 7688 1 13 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.730 2.420 18797 7689 1 13 . 1 1 23 23 GLY H H 23 8.180 8.180 7.543 0.637 18797 7690 1 13 . 1 1 24 24 PHE N N 24 121.370 121.370 120.490 0.880 18797 7691 1 13 . 1 1 24 24 PHE C C 24 171.570 171.570 174.550 -2.980 18797 7692 1 13 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.736 -2.006 18797 7693 1 13 . 1 1 24 24 PHE CB C 24 43.510 43.510 41.989 1.522 18797 7694 1 13 . 1 1 24 24 PHE H H 24 9.230 9.230 8.419 0.811 18797 7695 1 13 . 1 1 25 25 ASN N N 25 118.950 118.950 120.871 -1.921 18797 7696 1 13 . 1 1 25 25 ASN C C 25 172.080 172.080 173.297 -1.217 18797 7697 1 13 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.898 -1.028 18797 7698 1 13 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.239 4.210 18797 7699 1 13 . 1 1 25 25 ASN H H 25 8.520 8.520 8.512 0.008 18797 7700 1 13 . 1 1 26 26 LEU N N 26 126.150 126.150 124.564 1.586 18797 7701 1 13 . 1 1 26 26 LEU C C 26 175.620 175.620 174.336 1.284 18797 7702 1 13 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.138 0.352 18797 7703 1 13 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.752 0.878 18797 7704 1 13 . 1 1 26 26 LEU H H 26 9.340 9.340 7.752 1.588 18797 7705 1 13 . 1 1 27 27 LYS N N 27 117.980 117.980 125.607 -7.627 18797 7706 1 13 . 1 1 27 27 LYS C C 27 175.120 175.120 174.563 0.557 18797 7707 1 13 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.263 0.927 18797 7708 1 13 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.599 -0.029 18797 7709 1 13 . 1 1 27 27 LYS H H 27 8.850 8.850 8.560 0.290 18797 7710 1 13 . 1 1 28 28 TYR N N 28 120.820 120.820 121.064 -0.244 18797 7711 1 13 . 1 1 28 28 TYR C C 28 172.480 172.480 173.273 -0.793 18797 7712 1 13 . 1 1 28 28 TYR CA C 28 56.280 56.280 54.928 1.352 18797 7713 1 13 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.550 -0.649 18797 7714 1 13 . 1 1 28 28 TYR H H 28 8.430 8.430 8.449 -0.019 18797 7715 1 13 . 1 1 29 29 ARG N N 29 129.660 129.660 118.174 11.486 18797 7716 1 13 . 1 1 29 29 ARG C C 29 172.780 172.780 173.979 -1.199 18797 7717 1 13 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.545 -1.545 18797 7718 1 13 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.222 -0.212 18797 7719 1 13 . 1 1 29 29 ARG H H 29 8.670 8.670 8.086 0.584 18797 7720 1 13 . 1 1 30 30 TYR N N 30 127.210 127.210 121.181 6.029 18797 7721 1 13 . 1 1 30 30 TYR C C 30 175.000 175.000 175.609 -0.609 18797 7722 1 13 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.685 0.145 18797 7723 1 13 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.957 1.183 18797 7724 1 13 . 1 1 30 30 TYR H H 30 8.930 8.930 8.334 0.596 18797 7725 1 13 . 1 1 31 31 GLU N N 31 128.090 128.090 123.497 4.593 18797 7726 1 13 . 1 1 31 31 GLU C C 31 174.250 174.250 175.952 -1.702 18797 7727 1 13 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.993 -1.363 18797 7728 1 13 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.957 1.533 18797 7729 1 13 . 1 1 31 31 GLU H H 31 8.170 8.170 8.310 -0.140 18797 7730 1 13 . 1 1 32 32 GLU N N 32 122.610 122.610 125.099 -2.489 18797 7731 1 13 . 1 1 32 32 GLU C C 32 176.920 176.920 176.154 0.766 18797 7732 1 13 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.489 0.081 18797 7733 1 13 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.891 -2.121 18797 7734 1 13 . 1 1 32 32 GLU H H 32 9.120 9.120 8.640 0.480 18797 7735 1 13 . 1 1 33 33 ASP N N 33 121.920 121.920 121.338 0.582 18797 7736 1 13 . 1 1 33 33 ASP C C 33 176.990 176.990 176.086 0.904 18797 7737 1 13 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.466 2.404 18797 7738 1 13 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.696 -1.426 18797 7739 1 13 . 1 1 33 33 ASP H H 33 8.600 8.600 8.474 0.126 18797 7740 1 13 . 1 1 34 34 ASN N N 34 115.300 115.300 116.296 -0.996 18797 7741 1 13 . 1 1 34 34 ASN C C 34 174.280 174.280 176.365 -2.085 18797 7742 1 13 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.530 -2.170 18797 7743 1 13 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.704 -0.754 18797 7744 1 13 . 1 1 34 34 ASN H H 34 8.420 8.420 8.656 -0.236 18797 7745 1 13 . 1 1 35 35 SER N N 35 112.970 112.970 113.292 -0.322 18797 7746 1 13 . 1 1 35 35 SER CA C 35 54.260 54.260 58.382 -4.122 18797 7747 1 13 . 1 1 35 35 SER CB C 35 64.920 64.920 63.071 1.849 18797 7748 1 13 . 1 1 35 35 SER H H 35 7.270 7.270 8.059 -0.789 18797 7749 1 13 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.405 0.955 18797 7750 1 13 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.888 -1.418 18797 7751 1 13 . 1 1 37 37 LEU N N 37 123.000 123.000 122.252 0.748 18797 7752 1 13 . 1 1 37 37 LEU C C 37 176.300 176.300 177.494 -1.194 18797 7753 1 13 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.380 -0.540 18797 7754 1 13 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.673 1.017 18797 7755 1 13 . 1 1 37 37 LEU H H 37 7.910 7.910 8.348 -0.438 18797 7756 1 13 . 1 1 38 38 GLY N N 38 117.320 117.320 108.042 9.278 18797 7757 1 13 . 1 1 38 38 GLY C C 38 172.340 172.340 173.684 -1.344 18797 7758 1 13 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.585 -0.155 18797 7759 1 13 . 1 1 38 38 GLY H H 38 9.110 9.110 8.172 0.938 18797 7760 1 13 . 1 1 39 39 VAL N N 39 116.550 116.550 125.882 -9.332 18797 7761 1 13 . 1 1 39 39 VAL C C 39 171.720 171.720 175.614 -3.894 18797 7762 1 13 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.650 -2.650 18797 7763 1 13 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.545 3.064 18797 7764 1 13 . 1 1 39 39 VAL H H 39 7.980 7.980 7.954 0.026 18797 7765 1 13 . 1 1 40 40 ILE N N 40 125.640 125.640 121.991 3.649 18797 7766 1 13 . 1 1 40 40 ILE C C 40 171.600 171.600 174.478 -2.878 18797 7767 1 13 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.410 0.130 18797 7768 1 13 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.140 2.990 18797 7769 1 13 . 1 1 40 40 ILE H H 40 9.160 9.160 8.395 0.765 18797 7770 1 13 . 1 1 41 41 GLY N N 41 111.830 111.830 110.923 0.907 18797 7771 1 13 . 1 1 41 41 GLY C C 41 172.000 172.000 172.209 -0.209 18797 7772 1 13 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.447 -1.297 18797 7773 1 13 . 1 1 41 41 GLY H H 41 8.930 8.930 7.996 0.934 18797 7774 1 13 . 1 1 42 42 SER N N 42 116.940 116.940 117.484 -0.544 18797 7775 1 13 . 1 1 42 42 SER C C 42 172.100 172.100 172.598 -0.498 18797 7776 1 13 . 1 1 42 42 SER CA C 42 56.220 56.220 56.487 -0.267 18797 7777 1 13 . 1 1 42 42 SER CB C 42 62.920 62.920 66.878 -3.958 18797 7778 1 13 . 1 1 42 42 SER H H 42 9.190 9.190 8.400 0.790 18797 7779 1 13 . 1 1 43 43 PHE N N 43 129.230 129.230 116.530 12.700 18797 7780 1 13 . 1 1 43 43 PHE C C 43 172.920 172.920 174.049 -1.129 18797 7781 1 13 . 1 1 43 43 PHE CA C 43 55.960 55.960 55.522 0.438 18797 7782 1 13 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.217 0.213 18797 7783 1 13 . 1 1 43 43 PHE H H 43 9.300 9.300 8.178 1.122 18797 7784 1 13 . 1 1 44 44 THR N N 44 126.530 126.530 116.985 9.545 18797 7785 1 13 . 1 1 44 44 THR C C 44 171.340 171.340 173.131 -1.791 18797 7786 1 13 . 1 1 44 44 THR CA C 44 60.410 60.410 61.115 -0.705 18797 7787 1 13 . 1 1 44 44 THR CB C 44 70.220 70.220 71.927 -1.707 18797 7788 1 13 . 1 1 44 44 THR H H 44 8.820 8.820 8.265 0.555 18797 7789 1 13 . 1 1 45 45 TYR N N 45 125.840 125.840 124.490 1.350 18797 7790 1 13 . 1 1 45 45 TYR C C 45 174.000 174.000 175.735 -1.735 18797 7791 1 13 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.798 -1.128 18797 7792 1 13 . 1 1 45 45 TYR CB C 45 41.000 41.000 41.785 -0.785 18797 7793 1 13 . 1 1 45 45 TYR H H 45 8.210 8.210 8.743 -0.533 18797 7794 1 13 . 1 1 46 46 THR N N 46 117.670 117.670 119.674 -2.004 18797 7795 1 13 . 1 1 46 46 THR C C 46 171.910 171.910 174.336 -2.426 18797 7796 1 13 . 1 1 46 46 THR CA C 46 58.720 58.720 61.094 -2.374 18797 7797 1 13 . 1 1 46 46 THR CB C 46 71.710 71.710 70.798 0.912 18797 7798 1 13 . 1 1 46 46 THR H H 46 8.550 8.550 8.805 -0.255 18797 7799 1 13 . 1 1 47 47 GLU N N 47 112.160 112.160 124.111 -11.951 18797 7800 1 13 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.652 -1.072 18797 7801 1 13 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.313 -1.643 18797 7802 1 13 . 1 1 47 47 GLU H H 47 8.170 8.170 9.027 -0.857 18797 7803 1 13 . 1 1 49 49 SER CA C 49 58.210 58.210 57.945 0.265 18797 7804 1 13 . 1 1 49 49 SER CB C 49 64.070 64.070 64.147 -0.077 18797 7805 1 13 . 1 1 49 49 SER H H 49 174.130 174.130 8.881 165.249 18797 7806 1 13 . 1 1 50 50 ARG N N 50 124.000 124.000 125.753 -1.753 18797 7807 1 13 . 1 1 50 50 ARG C C 50 176.270 176.270 176.245 0.025 18797 7808 1 13 . 1 1 50 50 ARG CA C 50 55.960 55.960 57.389 -1.429 18797 7809 1 13 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.646 0.334 18797 7810 1 13 . 1 1 50 50 ARG H H 50 8.600 8.600 8.869 -0.269 18797 7811 1 13 . 1 1 51 51 THR N N 51 115.720 115.720 111.423 4.297 18797 7812 1 13 . 1 1 51 51 THR C C 51 174.400 174.400 173.332 1.068 18797 7813 1 13 . 1 1 51 51 THR CA C 51 61.820 61.820 60.429 1.391 18797 7814 1 13 . 1 1 51 51 THR H H 51 8.240 8.240 7.625 0.615 18797 7815 1 13 . 1 1 52 52 ALA CA C 52 52.000 52.000 51.728 0.272 18797 7816 1 13 . 1 1 52 52 ALA CB C 52 18.800 18.800 19.077 -0.277 18797 7817 1 13 . 1 1 52 52 ALA H H 52 175.230 175.230 8.329 166.901 18797 7818 1 13 . 1 1 53 53 SER N N 53 113.990 113.990 119.802 -5.812 18797 7819 1 13 . 1 1 53 53 SER C C 53 175.360 175.360 174.069 1.291 18797 7820 1 13 . 1 1 53 53 SER CA C 53 58.350 58.350 57.437 0.913 18797 7821 1 13 . 1 1 53 53 SER CB C 53 62.930 62.930 65.800 -2.870 18797 7822 1 13 . 1 1 53 53 SER H H 53 8.000 8.000 8.034 -0.034 18797 7823 1 13 . 1 1 54 54 SER N N 54 113.510 113.510 118.417 -4.907 18797 7824 1 13 . 1 1 54 54 SER C C 54 173.880 173.880 176.030 -2.150 18797 7825 1 13 . 1 1 54 54 SER CA C 54 58.500 58.500 60.493 -1.993 18797 7826 1 13 . 1 1 54 54 SER CB C 54 62.960 62.960 63.554 -0.594 18797 7827 1 13 . 1 1 54 54 SER H H 54 8.050 8.050 8.580 -0.530 18797 7828 1 13 . 1 1 55 55 GLY N N 55 112.640 112.640 107.794 4.846 18797 7829 1 13 . 1 1 55 55 GLY CA C 55 44.200 44.200 45.030 -0.830 18797 7830 1 13 . 1 1 55 55 GLY H H 55 8.140 8.140 7.852 0.288 18797 7831 1 13 . 1 1 56 56 ASP CA C 56 54.100 54.100 53.434 0.666 18797 7832 1 13 . 1 1 56 56 ASP CB C 56 41.000 41.000 40.313 0.687 18797 7833 1 13 . 1 1 56 56 ASP H H 56 175.600 175.600 7.902 167.698 18797 7834 1 13 . 1 1 57 57 TYR N N 57 121.140 121.140 121.682 -0.542 18797 7835 1 13 . 1 1 57 57 TYR CA C 57 57.280 57.280 57.498 -0.218 18797 7836 1 13 . 1 1 57 57 TYR CB C 57 38.400 38.400 40.781 -2.381 18797 7837 1 13 . 1 1 57 57 TYR H H 57 8.150 8.150 8.133 0.017 18797 7838 1 13 . 1 1 59 59 LYS CA C 59 55.410 55.410 58.000 -2.590 18797 7839 1 13 . 1 1 59 59 LYS CB C 59 34.220 34.220 32.825 1.395 18797 7840 1 13 . 1 1 60 60 ASN N N 60 122.740 122.740 115.196 7.544 18797 7841 1 13 . 1 1 60 60 ASN C C 60 175.260 175.260 173.221 2.039 18797 7842 1 13 . 1 1 60 60 ASN CA C 60 52.200 52.200 51.564 0.636 18797 7843 1 13 . 1 1 60 60 ASN CB C 60 40.230 40.230 41.422 -1.192 18797 7844 1 13 . 1 1 60 60 ASN H H 60 8.360 8.360 7.477 0.883 18797 7845 1 13 . 1 1 61 61 GLN N N 61 120.450 120.450 118.068 2.382 18797 7846 1 13 . 1 1 61 61 GLN C C 61 172.500 172.500 174.111 -1.611 18797 7847 1 13 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.322 0.418 18797 7848 1 13 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.700 1.140 18797 7849 1 13 . 1 1 61 61 GLN H H 61 8.530 8.530 8.024 0.506 18797 7850 1 13 . 1 1 62 62 TYR N N 62 123.620 123.620 119.686 3.934 18797 7851 1 13 . 1 1 62 62 TYR C C 62 171.430 171.430 174.838 -3.408 18797 7852 1 13 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.314 0.526 18797 7853 1 13 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.987 -2.057 18797 7854 1 13 . 1 1 62 62 TYR H H 62 8.610 8.610 8.599 0.011 18797 7855 1 13 . 1 1 63 63 TYR N N 63 123.920 123.920 123.828 0.092 18797 7856 1 13 . 1 1 63 63 TYR C C 63 174.280 174.280 173.902 0.378 18797 7857 1 13 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.717 -1.137 18797 7858 1 13 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.832 -1.512 18797 7859 1 13 . 1 1 63 63 TYR H H 63 8.400 8.400 8.930 -0.530 18797 7860 1 13 . 1 1 64 64 GLY N N 64 107.510 107.510 113.907 -6.397 18797 7861 1 13 . 1 1 64 64 GLY C C 64 174.090 174.090 171.120 2.970 18797 7862 1 13 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.575 0.995 18797 7863 1 13 . 1 1 64 64 GLY H H 64 8.760 8.760 8.003 0.757 18797 7864 1 13 . 1 1 65 65 ILE N N 65 128.470 128.470 125.119 3.351 18797 7865 1 13 . 1 1 65 65 ILE C C 65 174.350 174.350 173.825 0.525 18797 7866 1 13 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.071 0.889 18797 7867 1 13 . 1 1 65 65 ILE CB C 65 39.740 39.740 41.347 -1.607 18797 7868 1 13 . 1 1 65 65 ILE H H 65 8.900 8.900 8.059 0.841 18797 7869 1 13 . 1 1 66 66 THR N N 66 115.890 115.890 119.557 -3.667 18797 7870 1 13 . 1 1 66 66 THR C C 66 172.600 172.600 173.085 -0.485 18797 7871 1 13 . 1 1 66 66 THR CA C 66 58.670 58.670 59.612 -0.943 18797 7872 1 13 . 1 1 66 66 THR CB C 66 73.100 73.100 71.798 1.302 18797 7873 1 13 . 1 1 66 66 THR H H 66 8.900 8.900 8.496 0.404 18797 7874 1 13 . 1 1 67 67 ALA N N 67 119.730 119.730 123.136 -3.406 18797 7875 1 13 . 1 1 67 67 ALA C C 67 176.670 176.670 175.522 1.148 18797 7876 1 13 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.338 1.162 18797 7877 1 13 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.794 -0.734 18797 7878 1 13 . 1 1 67 67 ALA H H 67 9.370 9.370 8.477 0.893 18797 7879 1 13 . 1 1 68 68 GLY N N 68 104.240 104.240 106.509 -2.269 18797 7880 1 13 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.163 1.757 18797 7881 1 13 . 1 1 68 68 GLY H H 68 8.900 8.900 8.062 0.838 18797 7882 1 13 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.145 -0.105 18797 7883 1 13 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.835 -0.145 18797 7884 1 13 . 1 1 70 70 ALA N N 70 120.220 120.220 127.514 -7.294 18797 7885 1 13 . 1 1 70 70 ALA C C 70 175.590 175.590 175.979 -0.389 18797 7886 1 13 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.137 -1.647 18797 7887 1 13 . 1 1 70 70 ALA CB C 70 20.980 20.980 21.050 -0.070 18797 7888 1 13 . 1 1 70 70 ALA H H 70 7.870 7.870 8.805 -0.935 18797 7889 1 13 . 1 1 71 71 TYR N N 71 126.080 126.080 123.967 2.113 18797 7890 1 13 . 1 1 71 71 TYR C C 71 174.090 174.090 174.491 -0.401 18797 7891 1 13 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.833 -0.713 18797 7892 1 13 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.863 -0.943 18797 7893 1 13 . 1 1 71 71 TYR H H 71 9.780 9.780 8.590 1.190 18797 7894 1 13 . 1 1 72 72 ARG N N 72 131.410 131.410 123.773 7.637 18797 7895 1 13 . 1 1 72 72 ARG C C 72 174.160 174.160 175.334 -1.174 18797 7896 1 13 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.748 1.272 18797 7897 1 13 . 1 1 72 72 ARG CB C 72 29.620 29.620 31.155 -1.535 18797 7898 1 13 . 1 1 72 72 ARG H H 72 8.770 8.770 7.368 1.402 18797 7899 1 13 . 1 1 73 73 ILE N N 73 129.550 129.550 123.925 5.625 18797 7900 1 13 . 1 1 73 73 ILE C C 73 175.730 175.730 174.946 0.784 18797 7901 1 13 . 1 1 73 73 ILE CA C 73 62.950 62.950 61.643 1.307 18797 7902 1 13 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.775 -0.265 18797 7903 1 13 . 1 1 73 73 ILE H H 73 8.400 8.400 8.528 -0.128 18797 7904 1 13 . 1 1 74 74 ASN N N 74 114.870 114.870 124.941 -10.071 18797 7905 1 13 . 1 1 74 74 ASN C C 74 174.860 174.860 174.624 0.236 18797 7906 1 13 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.138 -2.308 18797 7907 1 13 . 1 1 74 74 ASN CB C 74 36.840 36.840 39.490 -2.650 18797 7908 1 13 . 1 1 74 74 ASN H H 74 7.920 7.920 8.642 -0.722 18797 7909 1 13 . 1 1 75 75 ASP N N 75 113.980 113.980 118.564 -4.584 18797 7910 1 13 . 1 1 75 75 ASP C C 75 175.820 175.820 175.724 0.096 18797 7911 1 13 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.710 3.210 18797 7912 1 13 . 1 1 75 75 ASP CB C 75 40.230 40.230 40.997 -0.767 18797 7913 1 13 . 1 1 75 75 ASP H H 75 8.320 8.320 8.056 0.264 18797 7914 1 13 . 1 1 76 76 TRP N N 76 113.600 113.600 124.393 -10.793 18797 7915 1 13 . 1 1 76 76 TRP C C 76 176.310 176.310 174.974 1.336 18797 7916 1 13 . 1 1 76 76 TRP CA C 76 55.410 55.410 58.553 -3.143 18797 7917 1 13 . 1 1 76 76 TRP CB C 76 31.160 31.160 27.654 3.506 18797 7918 1 13 . 1 1 76 76 TRP H H 76 7.970 7.970 8.676 -0.706 18797 7919 1 13 . 1 1 77 77 ALA N N 77 125.520 125.520 119.713 5.807 18797 7920 1 13 . 1 1 77 77 ALA C C 77 175.620 175.620 176.426 -0.806 18797 7921 1 13 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.617 0.453 18797 7922 1 13 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.430 1.710 18797 7923 1 13 . 1 1 77 77 ALA H H 77 7.740 7.740 7.911 -0.171 18797 7924 1 13 . 1 1 78 78 SER N N 78 114.140 114.140 116.091 -1.951 18797 7925 1 13 . 1 1 78 78 SER C C 78 170.060 170.060 173.393 -3.333 18797 7926 1 13 . 1 1 78 78 SER CA C 78 57.250 57.250 59.599 -2.349 18797 7927 1 13 . 1 1 78 78 SER CB C 78 65.320 65.320 64.072 1.248 18797 7928 1 13 . 1 1 78 78 SER H H 78 8.100 8.100 7.814 0.286 18797 7929 1 13 . 1 1 79 79 ILE N N 79 120.650 120.650 124.206 -3.556 18797 7930 1 13 . 1 1 79 79 ILE C C 79 172.470 172.470 174.148 -1.678 18797 7931 1 13 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.425 -1.975 18797 7932 1 13 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.118 0.981 18797 7933 1 13 . 1 1 79 79 ILE H H 79 8.960 8.960 7.651 1.309 18797 7934 1 13 . 1 1 80 80 TYR N N 80 120.580 120.580 124.661 -4.081 18797 7935 1 13 . 1 1 80 80 TYR C C 80 173.000 173.000 175.279 -2.279 18797 7936 1 13 . 1 1 80 80 TYR CA C 80 55.980 55.980 56.079 -0.099 18797 7937 1 13 . 1 1 80 80 TYR CB C 80 41.030 41.030 42.192 -1.162 18797 7938 1 13 . 1 1 80 80 TYR H H 80 8.360 8.360 8.608 -0.248 18797 7939 1 13 . 1 1 81 81 GLY N N 81 106.140 106.140 109.582 -3.442 18797 7940 1 13 . 1 1 81 81 GLY C C 81 170.920 170.920 172.081 -1.161 18797 7941 1 13 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.926 0.074 18797 7942 1 13 . 1 1 81 81 GLY H H 81 8.050 8.050 8.328 -0.278 18797 7943 1 13 . 1 1 82 82 VAL N N 82 111.380 111.380 117.938 -6.558 18797 7944 1 13 . 1 1 82 82 VAL C C 82 174.370 174.370 174.167 0.203 18797 7945 1 13 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.282 -1.102 18797 7946 1 13 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.696 -0.256 18797 7947 1 13 . 1 1 82 82 VAL H H 82 8.490 8.490 8.551 -0.061 18797 7948 1 13 . 1 1 83 83 VAL N N 83 113.660 113.660 117.531 -3.871 18797 7949 1 13 . 1 1 83 83 VAL C C 83 174.680 174.680 174.764 -0.084 18797 7950 1 13 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.212 -0.122 18797 7951 1 13 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.679 1.341 18797 7952 1 13 . 1 1 83 83 VAL H H 83 8.970 8.970 8.402 0.568 18797 7953 1 13 . 1 1 84 84 GLY N N 84 108.310 108.310 110.811 -2.501 18797 7954 1 13 . 1 1 84 84 GLY C C 84 171.440 171.440 171.876 -0.436 18797 7955 1 13 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.574 2.196 18797 7956 1 13 . 1 1 84 84 GLY H H 84 8.480 8.480 8.935 -0.455 18797 7957 1 13 . 1 1 85 85 VAL N N 85 122.520 122.520 116.096 6.424 18797 7958 1 13 . 1 1 85 85 VAL C C 85 172.560 172.560 174.718 -2.158 18797 7959 1 13 . 1 1 85 85 VAL CA C 85 59.170 59.170 59.213 -0.043 18797 7960 1 13 . 1 1 85 85 VAL CB C 85 35.810 35.810 33.817 1.993 18797 7961 1 13 . 1 1 85 85 VAL H H 85 8.920 8.920 8.008 0.912 18797 7962 1 13 . 1 1 86 86 GLY N N 86 113.360 113.360 112.262 1.098 18797 7963 1 13 . 1 1 86 86 GLY C C 86 172.210 172.210 172.168 0.042 18797 7964 1 13 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.499 -0.219 18797 7965 1 13 . 1 1 86 86 GLY H H 86 8.880 8.880 7.769 1.111 18797 7966 1 13 . 1 1 87 87 TYR N N 87 123.830 123.830 122.466 1.364 18797 7967 1 13 . 1 1 87 87 TYR C C 87 174.030 174.030 175.368 -1.338 18797 7968 1 13 . 1 1 87 87 TYR CA C 87 55.930 55.930 56.154 -0.224 18797 7969 1 13 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.250 -0.220 18797 7970 1 13 . 1 1 87 87 TYR H H 87 9.310 9.310 8.912 0.398 18797 7971 1 13 . 1 1 88 88 GLY N N 88 112.300 112.300 109.833 2.467 18797 7972 1 13 . 1 1 88 88 GLY C C 88 170.620 170.620 172.341 -1.721 18797 7973 1 13 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.709 0.691 18797 7974 1 13 . 1 1 88 88 GLY H H 88 8.000 8.000 8.819 -0.819 18797 7975 1 13 . 1 1 89 89 LYS N N 89 122.410 122.410 123.647 -1.237 18797 7976 1 13 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.540 -0.060 18797 7977 1 13 . 1 1 89 89 LYS H H 89 8.230 8.230 8.354 -0.124 18797 7978 1 13 . 1 1 90 90 PHE C C 90 175.190 175.190 174.285 0.905 18797 7979 1 13 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.695 -1.665 18797 7980 1 13 . 1 1 90 90 PHE CB C 90 40.510 40.510 42.181 -1.671 18797 7981 1 13 . 1 1 91 91 GLN N N 91 122.380 122.380 127.720 -5.340 18797 7982 1 13 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.356 0.974 18797 7983 1 13 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.495 -1.796 18797 7984 1 13 . 1 1 91 91 GLN H H 91 8.370 8.370 7.576 0.794 18797 7985 1 13 . 1 1 94 94 GLU N N 94 175.780 175.780 120.762 55.018 18797 7986 1 13 . 1 1 94 94 GLU CA C 94 57.030 57.030 55.478 1.552 18797 7987 1 13 . 1 1 94 94 GLU CB C 94 29.460 29.460 30.372 -0.912 18797 7988 1 13 . 1 1 95 95 TYR N N 95 120.240 120.240 121.699 -1.459 18797 7989 1 13 . 1 1 95 95 TYR CA C 95 55.290 55.290 57.233 -1.943 18797 7990 1 13 . 1 1 95 95 TYR CB C 95 37.730 37.730 36.936 0.794 18797 7991 1 13 . 1 1 95 95 TYR H H 95 7.830 7.830 9.125 -1.295 18797 7992 1 13 . 1 1 97 97 THR CA C 97 62.210 62.210 59.685 2.525 18797 7993 1 13 . 1 1 97 97 THR H H 97 174.320 174.320 7.816 166.504 18797 7994 1 13 . 1 1 98 98 TYR N N 98 122.540 122.540 122.883 -0.343 18797 7995 1 13 . 1 1 98 98 TYR C C 98 175.000 175.000 176.770 -1.770 18797 7996 1 13 . 1 1 98 98 TYR CA C 98 57.530 57.530 60.540 -3.010 18797 7997 1 13 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.811 -0.461 18797 7998 1 13 . 1 1 98 98 TYR H H 98 8.040 8.040 8.614 -0.574 18797 7999 1 13 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.190 0.830 18797 8000 1 13 . 1 1 101 101 ASP CB C 101 39.700 39.700 42.714 -3.014 18797 8001 1 13 . 1 1 101 101 ASP H H 101 176.040 176.040 8.005 168.035 18797 8002 1 13 . 1 1 102 102 THR N N 102 117.650 117.650 115.866 1.784 18797 8003 1 13 . 1 1 102 102 THR C C 102 173.840 173.840 173.377 0.463 18797 8004 1 13 . 1 1 102 102 THR CA C 102 61.590 61.590 62.103 -0.513 18797 8005 1 13 . 1 1 102 102 THR CB C 102 69.970 69.970 70.535 -0.565 18797 8006 1 13 . 1 1 102 102 THR H H 102 8.520 8.520 8.438 0.082 18797 8007 1 13 . 1 1 103 103 SER N N 103 119.470 119.470 119.212 0.258 18797 8008 1 13 . 1 1 103 103 SER C C 103 173.580 173.580 173.239 0.341 18797 8009 1 13 . 1 1 103 103 SER CA C 103 57.310 57.310 57.292 0.018 18797 8010 1 13 . 1 1 103 103 SER H H 103 8.240 8.240 8.552 -0.312 18797 8011 1 13 . 1 1 104 104 ASP N N 104 122.250 122.250 127.027 -4.777 18797 8012 1 13 . 1 1 104 104 ASP C C 104 173.100 173.100 174.142 -1.042 18797 8013 1 13 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.083 -0.483 18797 8014 1 13 . 1 1 104 104 ASP CB C 104 44.060 44.060 44.380 -0.320 18797 8015 1 13 . 1 1 104 104 ASP H H 104 8.270 8.270 8.351 -0.081 18797 8016 1 13 . 1 1 105 105 TYR N N 105 116.040 116.040 124.137 -8.097 18797 8017 1 13 . 1 1 105 105 TYR C C 105 175.860 175.860 175.028 0.832 18797 8018 1 13 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.534 -0.984 18797 8019 1 13 . 1 1 105 105 TYR CB C 105 41.630 41.630 40.289 1.341 18797 8020 1 13 . 1 1 105 105 TYR H H 105 8.560 8.560 8.639 -0.079 18797 8021 1 13 . 1 1 106 106 GLY N N 106 108.500 108.500 111.217 -2.717 18797 8022 1 13 . 1 1 106 106 GLY C C 106 172.030 172.030 171.074 0.956 18797 8023 1 13 . 1 1 106 106 GLY CA C 106 44.490 44.490 43.974 0.516 18797 8024 1 13 . 1 1 106 106 GLY H H 106 9.190 9.190 7.614 1.576 18797 8025 1 13 . 1 1 107 107 PHE N N 107 121.420 121.420 119.399 2.021 18797 8026 1 13 . 1 1 107 107 PHE C C 107 175.430 175.430 175.264 0.166 18797 8027 1 13 . 1 1 107 107 PHE CA C 107 57.540 57.540 57.325 0.215 18797 8028 1 13 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.242 -1.042 18797 8029 1 13 . 1 1 107 107 PHE H H 107 8.860 8.860 8.567 0.293 18797 8030 1 13 . 1 1 108 108 SER N N 108 123.250 123.250 118.708 4.542 18797 8031 1 13 . 1 1 108 108 SER C C 108 171.430 171.430 173.227 -1.797 18797 8032 1 13 . 1 1 108 108 SER CA C 108 56.100 56.100 57.183 -1.083 18797 8033 1 13 . 1 1 108 108 SER CB C 108 65.720 65.720 65.862 -0.142 18797 8034 1 13 . 1 1 108 108 SER H H 108 8.110 8.110 8.543 -0.433 18797 8035 1 13 . 1 1 109 109 TYR N N 109 117.840 117.840 119.412 -1.572 18797 8036 1 13 . 1 1 109 109 TYR C C 109 173.560 173.560 173.430 0.130 18797 8037 1 13 . 1 1 109 109 TYR CA C 109 55.320 55.320 55.715 -0.395 18797 8038 1 13 . 1 1 109 109 TYR CB C 109 39.560 39.560 41.779 -2.219 18797 8039 1 13 . 1 1 109 109 TYR H H 109 8.480 8.480 8.295 0.185 18797 8040 1 13 . 1 1 110 110 GLY N N 110 106.400 106.400 106.483 -0.083 18797 8041 1 13 . 1 1 110 110 GLY C C 110 171.350 171.350 171.324 0.026 18797 8042 1 13 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.280 1.880 18797 8043 1 13 . 1 1 110 110 GLY H H 110 8.980 8.980 8.498 0.482 18797 8044 1 13 . 1 1 111 111 ALA N N 111 119.140 119.140 119.836 -0.696 18797 8045 1 13 . 1 1 111 111 ALA C C 111 174.640 174.640 174.974 -0.334 18797 8046 1 13 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.541 0.429 18797 8047 1 13 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.720 -0.570 18797 8048 1 13 . 1 1 111 111 ALA H H 111 8.390 8.390 7.449 0.941 18797 8049 1 13 . 1 1 112 112 GLY N N 112 106.070 106.070 107.015 -0.945 18797 8050 1 13 . 1 1 112 112 GLY C C 112 169.770 169.770 171.738 -1.968 18797 8051 1 13 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.569 0.701 18797 8052 1 13 . 1 1 112 112 GLY H H 112 7.820 7.820 8.362 -0.542 18797 8053 1 13 . 1 1 113 113 LEU N N 113 116.370 116.370 120.129 -3.759 18797 8054 1 13 . 1 1 113 113 LEU C C 113 175.090 175.090 175.517 -0.427 18797 8055 1 13 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.962 -1.272 18797 8056 1 13 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.726 -0.166 18797 8057 1 13 . 1 1 113 113 LEU H H 113 8.930 8.930 8.515 0.415 18797 8058 1 13 . 1 1 114 114 GLN N N 114 115.860 115.860 120.741 -4.881 18797 8059 1 13 . 1 1 114 114 GLN C C 114 176.910 176.910 174.079 2.831 18797 8060 1 13 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.598 -0.868 18797 8061 1 13 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.264 0.026 18797 8062 1 13 . 1 1 114 114 GLN H H 114 7.860 7.860 8.398 -0.538 18797 8063 1 13 . 1 1 115 115 PHE N N 115 126.580 126.580 125.524 1.056 18797 8064 1 13 . 1 1 115 115 PHE C C 115 175.740 175.740 172.466 3.274 18797 8065 1 13 . 1 1 115 115 PHE CA C 115 55.200 55.200 55.805 -0.605 18797 8066 1 13 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.376 1.994 18797 8067 1 13 . 1 1 115 115 PHE H H 115 9.750 9.750 8.518 1.232 18797 8068 1 13 . 1 1 116 116 ASN N N 116 119.920 119.920 123.955 -4.035 18797 8069 1 13 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.088 1.112 18797 8070 1 13 . 1 1 116 116 ASN CB C 116 40.650 40.650 39.821 0.829 18797 8071 1 13 . 1 1 116 116 ASN H H 116 9.450 9.450 7.855 1.595 18797 8072 1 13 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.520 2.180 18797 8073 1 13 . 1 1 118 118 MET N N 118 110.530 110.530 118.390 -7.860 18797 8074 1 13 . 1 1 118 118 MET C C 118 176.130 176.130 176.940 -0.810 18797 8075 1 13 . 1 1 118 118 MET CA C 118 53.980 53.980 57.039 -3.059 18797 8076 1 13 . 1 1 118 118 MET CB C 118 36.310 36.310 32.858 3.451 18797 8077 1 13 . 1 1 118 118 MET H H 118 7.310 7.310 8.123 -0.813 18797 8078 1 13 . 1 1 119 119 GLU N N 119 120.320 120.320 116.147 4.173 18797 8079 1 13 . 1 1 119 119 GLU C C 119 176.810 176.810 176.824 -0.014 18797 8080 1 13 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.194 2.406 18797 8081 1 13 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.114 0.036 18797 8082 1 13 . 1 1 119 119 GLU H H 119 9.120 9.120 8.852 0.268 18797 8083 1 13 . 1 1 120 120 ASN N N 120 112.490 112.490 118.039 -5.549 18797 8084 1 13 . 1 1 120 120 ASN C C 120 174.080 174.080 176.373 -2.293 18797 8085 1 13 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.251 -1.851 18797 8086 1 13 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.009 0.821 18797 8087 1 13 . 1 1 120 120 ASN H H 120 8.430 8.430 8.676 -0.246 18797 8088 1 13 . 1 1 121 121 VAL N N 121 117.760 117.760 114.075 3.685 18797 8089 1 13 . 1 1 121 121 VAL C C 121 174.750 174.750 175.297 -0.547 18797 8090 1 13 . 1 1 121 121 VAL CA C 121 60.690 60.690 61.999 -1.309 18797 8091 1 13 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.891 5.009 18797 8092 1 13 . 1 1 121 121 VAL H H 121 7.500 7.500 7.286 0.214 18797 8093 1 13 . 1 1 122 122 ALA N N 122 127.190 127.190 123.642 3.548 18797 8094 1 13 . 1 1 122 122 ALA C C 122 175.140 175.140 175.479 -0.339 18797 8095 1 13 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.718 -1.329 18797 8096 1 13 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.849 0.971 18797 8097 1 13 . 1 1 122 122 ALA H H 122 8.230 8.230 7.304 0.926 18797 8098 1 13 . 1 1 123 123 LEU N N 123 120.270 120.270 122.817 -2.547 18797 8099 1 13 . 1 1 123 123 LEU C C 123 174.310 174.310 175.468 -1.158 18797 8100 1 13 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.357 0.303 18797 8101 1 13 . 1 1 123 123 LEU CB C 123 44.510 44.510 45.267 -0.757 18797 8102 1 13 . 1 1 123 123 LEU H H 123 8.910 8.910 8.246 0.664 18797 8103 1 13 . 1 1 124 124 ASP N N 124 127.350 127.350 120.954 6.396 18797 8104 1 13 . 1 1 124 124 ASP C C 124 171.830 171.830 174.287 -2.457 18797 8105 1 13 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.450 1.370 18797 8106 1 13 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.768 2.722 18797 8107 1 13 . 1 1 124 124 ASP H H 124 8.580 8.580 8.055 0.525 18797 8108 1 13 . 1 1 125 125 PHE N N 125 123.390 123.390 123.494 -0.104 18797 8109 1 13 . 1 1 125 125 PHE C C 125 174.130 174.130 174.697 -0.567 18797 8110 1 13 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.258 -0.598 18797 8111 1 13 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.954 -0.254 18797 8112 1 13 . 1 1 125 125 PHE H H 125 8.670 8.670 8.425 0.245 18797 8113 1 13 . 1 1 126 126 SER N N 126 118.680 118.680 116.020 2.660 18797 8114 1 13 . 1 1 126 126 SER C C 126 169.980 169.980 172.312 -2.332 18797 8115 1 13 . 1 1 126 126 SER CA C 126 58.120 58.120 57.146 0.974 18797 8116 1 13 . 1 1 126 126 SER CB C 126 66.950 66.950 67.052 -0.102 18797 8117 1 13 . 1 1 126 126 SER H H 126 9.390 9.390 8.271 1.119 18797 8118 1 13 . 1 1 127 127 TYR N N 127 119.080 119.080 119.075 0.005 18797 8119 1 13 . 1 1 127 127 TYR C C 127 174.390 174.390 173.528 0.862 18797 8120 1 13 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.057 0.383 18797 8121 1 13 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.843 1.257 18797 8122 1 13 . 1 1 127 127 TYR H H 127 8.610 8.610 8.363 0.247 18797 8123 1 13 . 1 1 128 128 GLU N N 128 130.070 130.070 122.108 7.962 18797 8124 1 13 . 1 1 128 128 GLU C C 128 172.590 172.590 174.869 -2.279 18797 8125 1 13 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.105 0.025 18797 8126 1 13 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.697 -0.197 18797 8127 1 13 . 1 1 128 128 GLU H H 128 8.510 8.510 8.712 -0.202 18797 8128 1 13 . 1 1 129 129 GLN N N 129 128.670 128.670 123.646 5.024 18797 8129 1 13 . 1 1 129 129 GLN C C 129 173.690 173.690 174.964 -1.274 18797 8130 1 13 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.381 -0.171 18797 8131 1 13 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.892 -1.842 18797 8132 1 13 . 1 1 129 129 GLN H H 129 9.330 9.330 8.557 0.773 18797 8133 1 13 . 1 1 130 130 SER N N 130 118.630 118.630 118.386 0.244 18797 8134 1 13 . 1 1 130 130 SER C C 130 174.210 174.210 174.056 0.154 18797 8135 1 13 . 1 1 130 130 SER CA C 130 56.450 56.450 57.412 -0.962 18797 8136 1 13 . 1 1 130 130 SER CB C 130 66.260 66.260 64.870 1.390 18797 8137 1 13 . 1 1 130 130 SER H H 130 8.580 8.580 8.085 0.495 18797 8138 1 13 . 1 1 131 131 ARG N N 131 126.850 126.850 124.836 2.014 18797 8139 1 13 . 1 1 131 131 ARG C C 131 174.740 174.740 176.166 -1.426 18797 8140 1 13 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.708 -0.368 18797 8141 1 13 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.889 -0.979 18797 8142 1 13 . 1 1 131 131 ARG H H 131 7.690 7.690 8.667 -0.977 18797 8143 1 13 . 1 1 132 132 ILE N N 132 129.470 129.470 126.574 2.896 18797 8144 1 13 . 1 1 132 132 ILE C C 132 175.500 175.500 176.397 -0.897 18797 8145 1 13 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.562 -2.672 18797 8146 1 13 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.343 0.977 18797 8147 1 13 . 1 1 132 132 ILE H H 132 8.730 8.730 8.741 -0.011 18797 8148 1 13 . 1 1 133 133 ARG N N 133 127.220 127.220 128.772 -1.552 18797 8149 1 13 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.694 2.416 18797 8150 1 13 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.503 -4.183 18797 8151 1 13 . 1 1 133 133 ARG H H 133 9.400 9.400 8.279 1.121 18797 8152 1 13 . 1 1 134 134 SER C C 134 173.290 173.290 173.609 -0.319 18797 8153 1 13 . 1 1 134 134 SER CA C 134 58.490 58.490 59.801 -1.311 18797 8154 1 13 . 1 1 134 134 SER CB C 134 62.860 62.860 63.027 -0.167 18797 8155 1 13 . 1 1 135 135 VAL N N 135 124.810 124.810 115.299 9.511 18797 8156 1 13 . 1 1 135 135 VAL C C 135 174.650 174.650 174.231 0.419 18797 8157 1 13 . 1 1 135 135 VAL CA C 135 61.870 61.870 60.487 1.383 18797 8158 1 13 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.433 -2.373 18797 8159 1 13 . 1 1 135 135 VAL H H 135 8.270 8.270 7.238 1.032 18797 8160 1 13 . 1 1 136 136 ASP N N 136 127.750 127.750 124.584 3.166 18797 8161 1 13 . 1 1 136 136 ASP C C 136 175.130 175.130 175.661 -0.531 18797 8162 1 13 . 1 1 136 136 ASP CA C 136 54.220 54.220 53.020 1.200 18797 8163 1 13 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.309 -1.559 18797 8164 1 13 . 1 1 136 136 ASP H H 136 8.010 8.010 8.377 -0.367 18797 8165 1 13 . 1 1 137 137 VAL N N 137 124.520 124.520 124.081 0.439 18797 8166 1 13 . 1 1 137 137 VAL C C 137 174.690 174.690 175.462 -0.772 18797 8167 1 13 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.096 -0.646 18797 8168 1 13 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.520 -0.720 18797 8169 1 13 . 1 1 137 137 VAL H H 137 8.720 8.720 7.756 0.964 18797 8170 1 13 . 1 1 138 138 GLY N N 138 116.920 116.920 114.308 2.612 18797 8171 1 13 . 1 1 138 138 GLY C C 138 172.930 172.930 173.015 -0.085 18797 8172 1 13 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.273 0.207 18797 8173 1 13 . 1 1 138 138 GLY H H 138 8.240 8.240 8.456 -0.216 18797 8174 1 13 . 1 1 139 139 THR N N 139 125.070 125.070 121.877 3.193 18797 8175 1 13 . 1 1 139 139 THR C C 139 171.920 171.920 173.045 -1.125 18797 8176 1 13 . 1 1 139 139 THR CA C 139 60.890 60.890 61.243 -0.353 18797 8177 1 13 . 1 1 139 139 THR CB C 139 70.290 70.290 71.659 -1.369 18797 8178 1 13 . 1 1 139 139 THR H H 139 8.710 8.710 8.417 0.293 18797 8179 1 13 . 1 1 140 140 TRP N N 140 125.840 125.840 129.757 -3.917 18797 8180 1 13 . 1 1 140 140 TRP C C 140 175.070 175.070 173.749 1.321 18797 8181 1 13 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.927 -0.797 18797 8182 1 13 . 1 1 140 140 TRP CB C 140 32.100 32.100 33.132 -1.032 18797 8183 1 13 . 1 1 140 140 TRP H H 140 8.330 8.330 8.703 -0.373 18797 8184 1 13 . 1 1 141 141 ILE N N 141 123.240 123.240 127.143 -3.903 18797 8185 1 13 . 1 1 141 141 ILE C C 141 174.870 174.870 172.787 2.083 18797 8186 1 13 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.013 1.377 18797 8187 1 13 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.226 -1.596 18797 8188 1 13 . 1 1 141 141 ILE H H 141 8.980 8.980 8.208 0.772 18797 8189 1 13 . 1 1 142 142 ALA N N 142 127.680 127.680 128.733 -1.053 18797 8190 1 13 . 1 1 142 142 ALA C C 142 175.700 175.700 175.479 0.221 18797 8191 1 13 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.012 0.518 18797 8192 1 13 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.692 -0.482 18797 8193 1 13 . 1 1 142 142 ALA H H 142 8.350 8.350 8.483 -0.133 18797 8194 1 13 . 1 1 143 143 GLY N N 143 109.030 109.030 109.209 -0.179 18797 8195 1 13 . 1 1 143 143 GLY C C 143 172.090 172.090 171.869 0.221 18797 8196 1 13 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.143 1.287 18797 8197 1 13 . 1 1 143 143 GLY H H 143 9.520 9.520 8.127 1.393 18797 8198 1 13 . 1 1 144 144 VAL N N 144 114.110 114.110 116.287 -2.177 18797 8199 1 13 . 1 1 144 144 VAL C C 144 174.010 174.010 174.718 -0.708 18797 8200 1 13 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.627 -0.357 18797 8201 1 13 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.412 1.078 18797 8202 1 13 . 1 1 144 144 VAL H H 144 8.750 8.750 8.546 0.204 18797 8203 1 13 . 1 1 145 145 GLY N N 145 107.360 107.360 111.363 -4.003 18797 8204 1 13 . 1 1 145 145 GLY C C 145 171.210 171.210 171.751 -0.541 18797 8205 1 13 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.731 2.039 18797 8206 1 13 . 1 1 145 145 GLY H H 145 8.590 8.590 8.292 0.298 18797 8207 1 13 . 1 1 146 146 TYR N N 146 121.960 121.960 114.644 7.316 18797 8208 1 13 . 1 1 146 146 TYR C C 146 172.440 172.440 173.544 -1.104 18797 8209 1 13 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.371 -0.121 18797 8210 1 13 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.827 2.443 18797 8211 1 13 . 1 1 146 146 TYR H H 146 8.370 8.370 7.850 0.520 18797 8212 1 13 . 1 1 147 147 ARG N N 147 129.590 129.590 120.921 8.669 18797 8213 1 13 . 1 1 147 147 ARG C C 147 173.850 173.850 175.159 -1.309 18797 8214 1 13 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.239 -0.879 18797 8215 1 13 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.897 -1.477 18797 8216 1 13 . 1 1 147 147 ARG H H 147 7.690 7.690 8.420 -0.730 18797 8217 1 14 . 1 1 2 2 THR N N 2 114.280 114.280 120.320 -6.040 18797 8218 1 14 . 1 1 2 2 THR C C 2 173.570 173.570 173.835 -0.265 18797 8219 1 14 . 1 1 2 2 THR CA C 2 61.040 61.040 62.773 -1.733 18797 8220 1 14 . 1 1 2 2 THR CB C 2 71.930 71.930 69.972 1.958 18797 8221 1 14 . 1 1 2 2 THR H H 2 8.490 8.490 8.475 0.015 18797 8222 1 14 . 1 1 3 3 SER N N 3 122.430 122.430 118.983 3.447 18797 8223 1 14 . 1 1 3 3 SER C C 3 172.590 172.590 173.228 -0.638 18797 8224 1 14 . 1 1 3 3 SER CA C 3 56.760 56.760 57.557 -0.798 18797 8225 1 14 . 1 1 3 3 SER CB C 3 65.480 65.480 66.994 -1.514 18797 8226 1 14 . 1 1 3 3 SER H H 3 9.000 9.000 8.516 0.484 18797 8227 1 14 . 1 1 4 4 THR N N 4 117.240 117.240 118.871 -1.631 18797 8228 1 14 . 1 1 4 4 THR C C 4 174.640 174.640 173.144 1.496 18797 8229 1 14 . 1 1 4 4 THR CA C 4 61.390 61.390 61.027 0.363 18797 8230 1 14 . 1 1 4 4 THR CB C 4 70.680 70.680 70.827 -0.147 18797 8231 1 14 . 1 1 4 4 THR H H 4 8.610 8.610 8.296 0.314 18797 8232 1 14 . 1 1 5 5 VAL N N 5 129.440 129.440 126.542 2.898 18797 8233 1 14 . 1 1 5 5 VAL C C 5 174.770 174.770 174.779 -0.009 18797 8234 1 14 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.804 -1.044 18797 8235 1 14 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.747 -0.257 18797 8236 1 14 . 1 1 5 5 VAL H H 5 8.750 8.750 7.964 0.786 18797 8237 1 14 . 1 1 6 6 THR N N 6 116.430 116.430 122.889 -6.459 18797 8238 1 14 . 1 1 6 6 THR C C 6 172.930 172.930 173.208 -0.278 18797 8239 1 14 . 1 1 6 6 THR CA C 6 58.590 58.590 61.190 -2.600 18797 8240 1 14 . 1 1 6 6 THR CB C 6 70.930 70.930 71.947 -1.017 18797 8241 1 14 . 1 1 6 6 THR H H 6 8.890 8.890 8.159 0.731 18797 8242 1 14 . 1 1 7 7 GLY N N 7 105.590 105.590 110.952 -5.362 18797 8243 1 14 . 1 1 7 7 GLY C C 7 172.430 172.430 172.148 0.282 18797 8244 1 14 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.728 0.592 18797 8245 1 14 . 1 1 7 7 GLY H H 7 8.760 8.760 8.391 0.369 18797 8246 1 14 . 1 1 8 8 GLY N N 8 106.530 106.530 109.890 -3.360 18797 8247 1 14 . 1 1 8 8 GLY C C 8 173.030 173.030 171.583 1.447 18797 8248 1 14 . 1 1 8 8 GLY CA C 8 45.930 45.930 45.012 0.918 18797 8249 1 14 . 1 1 8 8 GLY H H 8 9.100 9.100 8.203 0.897 18797 8250 1 14 . 1 1 9 9 TYR N N 9 121.730 121.730 120.727 1.003 18797 8251 1 14 . 1 1 9 9 TYR C C 9 172.390 172.390 173.285 -0.895 18797 8252 1 14 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.044 0.796 18797 8253 1 14 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.562 -1.482 18797 8254 1 14 . 1 1 9 9 TYR H H 9 8.410 8.410 8.274 0.136 18797 8255 1 14 . 1 1 10 10 ALA N N 10 128.460 128.460 127.885 0.575 18797 8256 1 14 . 1 1 10 10 ALA C C 10 174.020 174.020 174.951 -0.931 18797 8257 1 14 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.364 -1.154 18797 8258 1 14 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.323 -0.103 18797 8259 1 14 . 1 1 10 10 ALA H H 10 6.910 6.910 8.223 -1.313 18797 8260 1 14 . 1 1 11 11 GLN N N 11 118.830 118.830 123.559 -4.729 18797 8261 1 14 . 1 1 11 11 GLN C C 11 175.650 175.650 174.844 0.806 18797 8262 1 14 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.806 0.024 18797 8263 1 14 . 1 1 11 11 GLN CB C 11 32.060 32.060 33.005 -0.945 18797 8264 1 14 . 1 1 11 11 GLN H H 11 8.100 8.100 8.352 -0.252 18797 8265 1 14 . 1 1 12 12 SER N N 12 124.200 124.200 120.839 3.361 18797 8266 1 14 . 1 1 12 12 SER C C 12 172.710 172.710 173.765 -1.055 18797 8267 1 14 . 1 1 12 12 SER CA C 12 57.190 57.190 55.903 1.287 18797 8268 1 14 . 1 1 12 12 SER CB C 12 64.180 64.180 65.844 -1.664 18797 8269 1 14 . 1 1 12 12 SER H H 12 9.160 9.160 8.671 0.488 18797 8270 1 14 . 1 1 13 13 ASP N N 13 124.950 124.950 124.335 0.615 18797 8271 1 14 . 1 1 13 13 ASP C C 13 174.860 174.860 175.075 -0.215 18797 8272 1 14 . 1 1 13 13 ASP CA C 13 52.960 52.960 54.101 -1.141 18797 8273 1 14 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.601 0.319 18797 8274 1 14 . 1 1 13 13 ASP H H 13 9.070 9.070 8.054 1.016 18797 8275 1 14 . 1 1 14 14 ALA N N 14 128.730 128.730 127.709 1.021 18797 8276 1 14 . 1 1 14 14 ALA C C 14 176.230 176.230 176.788 -0.558 18797 8277 1 14 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.655 -1.845 18797 8278 1 14 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.703 -1.203 18797 8279 1 14 . 1 1 14 14 ALA H H 14 8.560 8.560 8.249 0.311 18797 8280 1 14 . 1 1 15 15 GLN N N 15 122.750 122.750 121.798 0.952 18797 8281 1 14 . 1 1 15 15 GLN C C 15 176.660 176.660 176.747 -0.087 18797 8282 1 14 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.549 2.571 18797 8283 1 14 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.422 -2.262 18797 8284 1 14 . 1 1 15 15 GLN H H 15 8.340 8.340 8.502 -0.162 18797 8285 1 14 . 1 1 16 16 GLY N N 16 112.800 112.800 108.896 3.904 18797 8286 1 14 . 1 1 16 16 GLY C C 16 174.400 174.400 174.638 -0.238 18797 8287 1 14 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.882 -0.702 18797 8288 1 14 . 1 1 16 16 GLY H H 16 8.650 8.650 8.626 0.024 18797 8289 1 14 . 1 1 17 17 GLN N N 17 119.300 119.300 119.947 -0.647 18797 8290 1 14 . 1 1 17 17 GLN C C 17 175.720 175.720 175.064 0.656 18797 8291 1 14 . 1 1 17 17 GLN CA C 17 54.600 54.600 57.063 -2.463 18797 8292 1 14 . 1 1 17 17 GLN CB C 17 32.800 32.800 28.446 4.354 18797 8293 1 14 . 1 1 17 17 GLN H H 17 8.080 8.080 8.773 -0.693 18797 8294 1 14 . 1 1 18 18 MET N N 18 120.170 120.170 118.115 2.055 18797 8295 1 14 . 1 1 18 18 MET C C 18 175.400 175.400 174.323 1.077 18797 8296 1 14 . 1 1 18 18 MET CA C 18 55.980 55.980 54.516 1.464 18797 8297 1 14 . 1 1 18 18 MET CB C 18 35.590 35.590 34.578 1.012 18797 8298 1 14 . 1 1 18 18 MET H H 18 8.370 8.370 7.687 0.683 18797 8299 1 14 . 1 1 19 19 ASN N N 19 117.900 117.900 118.971 -1.071 18797 8300 1 14 . 1 1 19 19 ASN C C 19 174.400 174.400 174.987 -0.587 18797 8301 1 14 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.122 0.178 18797 8302 1 14 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.522 -0.122 18797 8303 1 14 . 1 1 19 19 ASN H H 19 7.990 7.990 8.397 -0.407 18797 8304 1 14 . 1 1 20 20 LYS N N 20 120.800 120.800 118.989 1.811 18797 8305 1 14 . 1 1 20 20 LYS C C 20 176.410 176.410 175.735 0.675 18797 8306 1 14 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.841 -1.141 18797 8307 1 14 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.499 -1.599 18797 8308 1 14 . 1 1 20 20 LYS H H 20 8.340 8.340 8.383 -0.043 18797 8309 1 14 . 1 1 21 21 MET N N 21 120.500 120.500 116.783 3.717 18797 8310 1 14 . 1 1 21 21 MET C C 21 175.270 175.270 174.994 0.276 18797 8311 1 14 . 1 1 21 21 MET CA C 21 54.800 54.800 54.463 0.337 18797 8312 1 14 . 1 1 21 21 MET CB C 21 34.730 34.730 37.693 -2.963 18797 8313 1 14 . 1 1 21 21 MET H H 21 8.580 8.580 7.780 0.800 18797 8314 1 14 . 1 1 22 22 GLY N N 22 111.280 111.280 107.496 3.784 18797 8315 1 14 . 1 1 22 22 GLY C C 22 174.030 174.030 171.972 2.058 18797 8316 1 14 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.622 0.188 18797 8317 1 14 . 1 1 22 22 GLY H H 22 8.430 8.430 8.279 0.151 18797 8318 1 14 . 1 1 23 23 GLY N N 23 120.170 120.170 108.027 12.143 18797 8319 1 14 . 1 1 23 23 GLY C C 23 171.850 171.850 171.680 0.170 18797 8320 1 14 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.039 2.111 18797 8321 1 14 . 1 1 23 23 GLY H H 23 8.180 8.180 7.540 0.640 18797 8322 1 14 . 1 1 24 24 PHE N N 24 121.370 121.370 120.296 1.074 18797 8323 1 14 . 1 1 24 24 PHE C C 24 171.570 171.570 174.485 -2.915 18797 8324 1 14 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.766 -2.036 18797 8325 1 14 . 1 1 24 24 PHE CB C 24 43.510 43.510 41.955 1.555 18797 8326 1 14 . 1 1 24 24 PHE H H 24 9.230 9.230 8.471 0.759 18797 8327 1 14 . 1 1 25 25 ASN N N 25 118.950 118.950 120.993 -2.043 18797 8328 1 14 . 1 1 25 25 ASN C C 25 172.080 172.080 173.267 -1.187 18797 8329 1 14 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.056 -1.186 18797 8330 1 14 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.344 4.106 18797 8331 1 14 . 1 1 25 25 ASN H H 25 8.520 8.520 8.484 0.036 18797 8332 1 14 . 1 1 26 26 LEU N N 26 126.150 126.150 125.459 0.691 18797 8333 1 14 . 1 1 26 26 LEU C C 26 175.620 175.620 173.849 1.771 18797 8334 1 14 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.225 0.265 18797 8335 1 14 . 1 1 26 26 LEU CB C 26 46.630 46.630 46.184 0.447 18797 8336 1 14 . 1 1 26 26 LEU H H 26 9.340 9.340 7.674 1.666 18797 8337 1 14 . 1 1 27 27 LYS N N 27 117.980 117.980 121.725 -3.745 18797 8338 1 14 . 1 1 27 27 LYS C C 27 175.120 175.120 174.311 0.809 18797 8339 1 14 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.058 1.132 18797 8340 1 14 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.239 0.331 18797 8341 1 14 . 1 1 27 27 LYS H H 27 8.850 8.850 8.284 0.566 18797 8342 1 14 . 1 1 28 28 TYR N N 28 120.820 120.820 119.141 1.679 18797 8343 1 14 . 1 1 28 28 TYR C C 28 172.480 172.480 175.010 -2.530 18797 8344 1 14 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.414 -0.134 18797 8345 1 14 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.149 -0.249 18797 8346 1 14 . 1 1 28 28 TYR H H 28 8.430 8.430 8.535 -0.105 18797 8347 1 14 . 1 1 29 29 ARG N N 29 129.660 129.660 119.080 10.580 18797 8348 1 14 . 1 1 29 29 ARG C C 29 172.780 172.780 175.191 -2.411 18797 8349 1 14 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.100 -1.100 18797 8350 1 14 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.833 -0.823 18797 8351 1 14 . 1 1 29 29 ARG H H 29 8.670 8.670 8.467 0.203 18797 8352 1 14 . 1 1 30 30 TYR N N 30 127.210 127.210 121.794 5.416 18797 8353 1 14 . 1 1 30 30 TYR C C 30 175.000 175.000 174.774 0.226 18797 8354 1 14 . 1 1 30 30 TYR CA C 30 56.830 56.830 57.387 -0.557 18797 8355 1 14 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.811 1.329 18797 8356 1 14 . 1 1 30 30 TYR H H 30 8.930 8.930 8.318 0.612 18797 8357 1 14 . 1 1 31 31 GLU N N 31 128.090 128.090 123.019 5.071 18797 8358 1 14 . 1 1 31 31 GLU C C 31 174.250 174.250 175.998 -1.748 18797 8359 1 14 . 1 1 31 31 GLU CA C 31 54.630 54.630 56.042 -1.412 18797 8360 1 14 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.794 1.696 18797 8361 1 14 . 1 1 31 31 GLU H H 31 8.170 8.170 8.270 -0.100 18797 8362 1 14 . 1 1 32 32 GLU N N 32 122.610 122.610 124.716 -2.106 18797 8363 1 14 . 1 1 32 32 GLU C C 32 176.920 176.920 174.860 2.060 18797 8364 1 14 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.144 -0.574 18797 8365 1 14 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.501 -1.731 18797 8366 1 14 . 1 1 32 32 GLU H H 32 9.120 9.120 8.489 0.631 18797 8367 1 14 . 1 1 33 33 ASP N N 33 121.920 121.920 121.030 0.890 18797 8368 1 14 . 1 1 33 33 ASP C C 33 176.990 176.990 176.315 0.675 18797 8369 1 14 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.922 1.948 18797 8370 1 14 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.553 -1.283 18797 8371 1 14 . 1 1 33 33 ASP H H 33 8.600 8.600 8.451 0.149 18797 8372 1 14 . 1 1 34 34 ASN N N 34 115.300 115.300 117.026 -1.726 18797 8373 1 14 . 1 1 34 34 ASN C C 34 174.280 174.280 176.419 -2.139 18797 8374 1 14 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.475 -2.115 18797 8375 1 14 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.856 -0.906 18797 8376 1 14 . 1 1 34 34 ASN H H 34 8.420 8.420 8.588 -0.168 18797 8377 1 14 . 1 1 35 35 SER N N 35 112.970 112.970 113.248 -0.278 18797 8378 1 14 . 1 1 35 35 SER CA C 35 54.260 54.260 59.172 -4.912 18797 8379 1 14 . 1 1 35 35 SER CB C 35 64.920 64.920 62.952 1.968 18797 8380 1 14 . 1 1 35 35 SER H H 35 7.270 7.270 8.167 -0.897 18797 8381 1 14 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.210 1.150 18797 8382 1 14 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.592 -1.122 18797 8383 1 14 . 1 1 37 37 LEU N N 37 123.000 123.000 123.410 -0.410 18797 8384 1 14 . 1 1 37 37 LEU C C 37 176.300 176.300 177.499 -1.199 18797 8385 1 14 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.298 -0.458 18797 8386 1 14 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.913 0.777 18797 8387 1 14 . 1 1 37 37 LEU H H 37 7.910 7.910 8.485 -0.575 18797 8388 1 14 . 1 1 38 38 GLY N N 38 117.320 117.320 109.764 7.556 18797 8389 1 14 . 1 1 38 38 GLY C C 38 172.340 172.340 173.367 -1.027 18797 8390 1 14 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.146 0.284 18797 8391 1 14 . 1 1 38 38 GLY H H 38 9.110 9.110 8.115 0.995 18797 8392 1 14 . 1 1 39 39 VAL N N 39 116.550 116.550 125.111 -8.561 18797 8393 1 14 . 1 1 39 39 VAL C C 39 171.720 171.720 175.094 -3.374 18797 8394 1 14 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.446 -2.446 18797 8395 1 14 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.645 2.965 18797 8396 1 14 . 1 1 39 39 VAL H H 39 7.980 7.980 8.401 -0.421 18797 8397 1 14 . 1 1 40 40 ILE N N 40 125.640 125.640 128.650 -3.010 18797 8398 1 14 . 1 1 40 40 ILE C C 40 171.600 171.600 173.934 -2.334 18797 8399 1 14 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.314 0.226 18797 8400 1 14 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.752 2.378 18797 8401 1 14 . 1 1 40 40 ILE H H 40 9.160 9.160 8.397 0.763 18797 8402 1 14 . 1 1 41 41 GLY N N 41 111.830 111.830 114.984 -3.154 18797 8403 1 14 . 1 1 41 41 GLY C C 41 172.000 172.000 172.024 -0.024 18797 8404 1 14 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.509 -1.359 18797 8405 1 14 . 1 1 41 41 GLY H H 41 8.930 8.930 8.466 0.464 18797 8406 1 14 . 1 1 42 42 SER N N 42 116.940 116.940 117.802 -0.862 18797 8407 1 14 . 1 1 42 42 SER C C 42 172.100 172.100 172.910 -0.810 18797 8408 1 14 . 1 1 42 42 SER CA C 42 56.220 56.220 56.245 -0.025 18797 8409 1 14 . 1 1 42 42 SER CB C 42 62.920 62.920 66.743 -3.823 18797 8410 1 14 . 1 1 42 42 SER H H 42 9.190 9.190 8.679 0.511 18797 8411 1 14 . 1 1 43 43 PHE N N 43 129.230 129.230 117.280 11.950 18797 8412 1 14 . 1 1 43 43 PHE C C 43 172.920 172.920 174.221 -1.301 18797 8413 1 14 . 1 1 43 43 PHE CA C 43 55.960 55.960 55.671 0.289 18797 8414 1 14 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.629 -0.199 18797 8415 1 14 . 1 1 43 43 PHE H H 43 9.300 9.300 8.285 1.015 18797 8416 1 14 . 1 1 44 44 THR N N 44 126.530 126.530 113.397 13.133 18797 8417 1 14 . 1 1 44 44 THR C C 44 171.340 171.340 173.411 -2.071 18797 8418 1 14 . 1 1 44 44 THR CA C 44 60.410 60.410 59.770 0.640 18797 8419 1 14 . 1 1 44 44 THR CB C 44 70.220 70.220 72.136 -1.917 18797 8420 1 14 . 1 1 44 44 THR H H 44 8.820 8.820 8.550 0.270 18797 8421 1 14 . 1 1 45 45 TYR N N 45 125.840 125.840 122.828 3.012 18797 8422 1 14 . 1 1 45 45 TYR C C 45 174.000 174.000 175.779 -1.779 18797 8423 1 14 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.230 -0.560 18797 8424 1 14 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.263 -1.263 18797 8425 1 14 . 1 1 45 45 TYR H H 45 8.210 8.210 8.463 -0.253 18797 8426 1 14 . 1 1 46 46 THR N N 46 117.670 117.670 119.444 -1.774 18797 8427 1 14 . 1 1 46 46 THR C C 46 171.910 171.910 173.806 -1.896 18797 8428 1 14 . 1 1 46 46 THR CA C 46 58.720 58.720 60.825 -2.105 18797 8429 1 14 . 1 1 46 46 THR CB C 46 71.710 71.710 71.024 0.686 18797 8430 1 14 . 1 1 46 46 THR H H 46 8.550 8.550 8.430 0.120 18797 8431 1 14 . 1 1 47 47 GLU N N 47 112.160 112.160 123.146 -10.986 18797 8432 1 14 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.175 -0.595 18797 8433 1 14 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.245 -1.575 18797 8434 1 14 . 1 1 47 47 GLU H H 47 8.170 8.170 8.852 -0.682 18797 8435 1 14 . 1 1 49 49 SER CA C 49 58.210 58.210 58.321 -0.111 18797 8436 1 14 . 1 1 49 49 SER CB C 49 64.070 64.070 64.074 -0.004 18797 8437 1 14 . 1 1 49 49 SER H H 49 174.130 174.130 8.599 165.531 18797 8438 1 14 . 1 1 50 50 ARG N N 50 124.000 124.000 126.539 -2.539 18797 8439 1 14 . 1 1 50 50 ARG C C 50 176.270 176.270 175.197 1.073 18797 8440 1 14 . 1 1 50 50 ARG CA C 50 55.960 55.960 55.368 0.592 18797 8441 1 14 . 1 1 50 50 ARG CB C 50 30.980 30.980 33.248 -2.268 18797 8442 1 14 . 1 1 50 50 ARG H H 50 8.600 8.600 8.637 -0.037 18797 8443 1 14 . 1 1 51 51 THR N N 51 115.720 115.720 119.039 -3.319 18797 8444 1 14 . 1 1 51 51 THR C C 51 174.400 174.400 174.786 -0.386 18797 8445 1 14 . 1 1 51 51 THR CA C 51 61.820 61.820 62.924 -1.104 18797 8446 1 14 . 1 1 51 51 THR H H 51 8.240 8.240 8.442 -0.202 18797 8447 1 14 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.846 -0.846 18797 8448 1 14 . 1 1 52 52 ALA CB C 52 18.800 18.800 19.495 -0.695 18797 8449 1 14 . 1 1 52 52 ALA H H 52 175.230 175.230 8.588 166.642 18797 8450 1 14 . 1 1 53 53 SER N N 53 113.990 113.990 117.702 -3.712 18797 8451 1 14 . 1 1 53 53 SER C C 53 175.360 175.360 175.194 0.166 18797 8452 1 14 . 1 1 53 53 SER CA C 53 58.350 58.350 57.527 0.823 18797 8453 1 14 . 1 1 53 53 SER CB C 53 62.930 62.930 64.447 -1.517 18797 8454 1 14 . 1 1 53 53 SER H H 53 8.000 8.000 7.326 0.674 18797 8455 1 14 . 1 1 54 54 SER N N 54 113.510 113.510 117.575 -4.065 18797 8456 1 14 . 1 1 54 54 SER C C 54 173.880 173.880 175.457 -1.577 18797 8457 1 14 . 1 1 54 54 SER CA C 54 58.500 58.500 59.780 -1.280 18797 8458 1 14 . 1 1 54 54 SER CB C 54 62.960 62.960 62.851 0.109 18797 8459 1 14 . 1 1 54 54 SER H H 54 8.050 8.050 8.670 -0.620 18797 8460 1 14 . 1 1 55 55 GLY N N 55 112.640 112.640 107.292 5.348 18797 8461 1 14 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.491 -0.291 18797 8462 1 14 . 1 1 55 55 GLY H H 55 8.140 8.140 7.862 0.278 18797 8463 1 14 . 1 1 56 56 ASP CA C 56 54.100 54.100 55.540 -1.440 18797 8464 1 14 . 1 1 56 56 ASP CB C 56 41.000 41.000 40.563 0.437 18797 8465 1 14 . 1 1 56 56 ASP H H 56 175.600 175.600 7.538 168.062 18797 8466 1 14 . 1 1 57 57 TYR N N 57 121.140 121.140 120.249 0.891 18797 8467 1 14 . 1 1 57 57 TYR CA C 57 57.280 57.280 59.745 -2.465 18797 8468 1 14 . 1 1 57 57 TYR CB C 57 38.400 38.400 38.995 -0.595 18797 8469 1 14 . 1 1 57 57 TYR H H 57 8.150 8.150 8.397 -0.247 18797 8470 1 14 . 1 1 59 59 LYS CA C 59 55.410 55.410 58.764 -3.354 18797 8471 1 14 . 1 1 59 59 LYS CB C 59 34.220 34.220 32.635 1.585 18797 8472 1 14 . 1 1 60 60 ASN N N 60 122.740 122.740 115.914 6.826 18797 8473 1 14 . 1 1 60 60 ASN C C 60 175.260 175.260 174.466 0.794 18797 8474 1 14 . 1 1 60 60 ASN CA C 60 52.200 52.200 52.017 0.183 18797 8475 1 14 . 1 1 60 60 ASN CB C 60 40.230 40.230 40.259 -0.029 18797 8476 1 14 . 1 1 60 60 ASN H H 60 8.360 8.360 7.764 0.596 18797 8477 1 14 . 1 1 61 61 GLN N N 61 120.450 120.450 119.733 0.717 18797 8478 1 14 . 1 1 61 61 GLN C C 61 172.500 172.500 174.047 -1.547 18797 8479 1 14 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.498 0.242 18797 8480 1 14 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.397 1.443 18797 8481 1 14 . 1 1 61 61 GLN H H 61 8.530 8.530 8.365 0.165 18797 8482 1 14 . 1 1 62 62 TYR N N 62 123.620 123.620 123.166 0.454 18797 8483 1 14 . 1 1 62 62 TYR C C 62 171.430 171.430 173.497 -2.067 18797 8484 1 14 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.871 0.969 18797 8485 1 14 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.209 -2.279 18797 8486 1 14 . 1 1 62 62 TYR H H 62 8.610 8.610 8.564 0.046 18797 8487 1 14 . 1 1 63 63 TYR N N 63 123.920 123.920 124.954 -1.034 18797 8488 1 14 . 1 1 63 63 TYR C C 63 174.280 174.280 174.456 -0.176 18797 8489 1 14 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.836 -1.256 18797 8490 1 14 . 1 1 63 63 TYR CB C 63 41.320 41.320 41.108 0.212 18797 8491 1 14 . 1 1 63 63 TYR H H 63 8.400 8.400 8.220 0.180 18797 8492 1 14 . 1 1 64 64 GLY N N 64 107.510 107.510 110.620 -3.110 18797 8493 1 14 . 1 1 64 64 GLY C C 64 174.090 174.090 171.697 2.393 18797 8494 1 14 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.616 0.954 18797 8495 1 14 . 1 1 64 64 GLY H H 64 8.760 8.760 8.516 0.244 18797 8496 1 14 . 1 1 65 65 ILE N N 65 128.470 128.470 125.805 2.665 18797 8497 1 14 . 1 1 65 65 ILE C C 65 174.350 174.350 173.841 0.509 18797 8498 1 14 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.107 0.853 18797 8499 1 14 . 1 1 65 65 ILE CB C 65 39.740 39.740 41.393 -1.653 18797 8500 1 14 . 1 1 65 65 ILE H H 65 8.900 8.900 8.255 0.645 18797 8501 1 14 . 1 1 66 66 THR N N 66 115.890 115.890 121.411 -5.521 18797 8502 1 14 . 1 1 66 66 THR C C 66 172.600 172.600 172.878 -0.278 18797 8503 1 14 . 1 1 66 66 THR CA C 66 58.670 58.670 59.242 -0.572 18797 8504 1 14 . 1 1 66 66 THR CB C 66 73.100 73.100 71.917 1.183 18797 8505 1 14 . 1 1 66 66 THR H H 66 8.900 8.900 8.556 0.344 18797 8506 1 14 . 1 1 67 67 ALA N N 67 119.730 119.730 123.185 -3.455 18797 8507 1 14 . 1 1 67 67 ALA C C 67 176.670 176.670 175.562 1.108 18797 8508 1 14 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.763 0.737 18797 8509 1 14 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.514 -0.454 18797 8510 1 14 . 1 1 67 67 ALA H H 67 9.370 9.370 8.668 0.702 18797 8511 1 14 . 1 1 68 68 GLY N N 68 104.240 104.240 106.800 -2.560 18797 8512 1 14 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.669 1.250 18797 8513 1 14 . 1 1 68 68 GLY H H 68 8.900 8.900 8.219 0.681 18797 8514 1 14 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.041 -0.000 18797 8515 1 14 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.693 -0.003 18797 8516 1 14 . 1 1 70 70 ALA N N 70 120.220 120.220 127.048 -6.828 18797 8517 1 14 . 1 1 70 70 ALA C C 70 175.590 175.590 175.911 -0.321 18797 8518 1 14 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.061 -1.571 18797 8519 1 14 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.689 0.291 18797 8520 1 14 . 1 1 70 70 ALA H H 70 7.870 7.870 8.497 -0.627 18797 8521 1 14 . 1 1 71 71 TYR N N 71 126.080 126.080 121.363 4.717 18797 8522 1 14 . 1 1 71 71 TYR C C 71 174.090 174.090 175.131 -1.041 18797 8523 1 14 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.043 -0.923 18797 8524 1 14 . 1 1 71 71 TYR CB C 71 41.920 41.920 41.695 0.225 18797 8525 1 14 . 1 1 71 71 TYR H H 71 9.780 9.780 8.889 0.891 18797 8526 1 14 . 1 1 72 72 ARG N N 72 131.410 131.410 125.169 6.241 18797 8527 1 14 . 1 1 72 72 ARG C C 72 174.160 174.160 174.584 -0.424 18797 8528 1 14 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.644 0.376 18797 8529 1 14 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.827 -1.207 18797 8530 1 14 . 1 1 72 72 ARG H H 72 8.770 8.770 8.765 0.005 18797 8531 1 14 . 1 1 73 73 ILE N N 73 129.550 129.550 126.736 2.814 18797 8532 1 14 . 1 1 73 73 ILE C C 73 175.730 175.730 176.017 -0.287 18797 8533 1 14 . 1 1 73 73 ILE CA C 73 62.950 62.950 59.327 3.623 18797 8534 1 14 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.487 0.023 18797 8535 1 14 . 1 1 73 73 ILE H H 73 8.400 8.400 8.274 0.126 18797 8536 1 14 . 1 1 74 74 ASN N N 74 114.870 114.870 123.529 -8.659 18797 8537 1 14 . 1 1 74 74 ASN C C 74 174.860 174.860 175.410 -0.550 18797 8538 1 14 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.693 -2.863 18797 8539 1 14 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.726 -1.886 18797 8540 1 14 . 1 1 74 74 ASN H H 74 7.920 7.920 8.744 -0.824 18797 8541 1 14 . 1 1 75 75 ASP N N 75 113.980 113.980 118.764 -4.784 18797 8542 1 14 . 1 1 75 75 ASP C C 75 175.820 175.820 177.448 -1.628 18797 8543 1 14 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.358 3.562 18797 8544 1 14 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.666 -1.436 18797 8545 1 14 . 1 1 75 75 ASP H H 75 8.320 8.320 7.969 0.351 18797 8546 1 14 . 1 1 76 76 TRP N N 76 113.600 113.600 121.176 -7.576 18797 8547 1 14 . 1 1 76 76 TRP C C 76 176.310 176.310 176.308 0.002 18797 8548 1 14 . 1 1 76 76 TRP CA C 76 55.410 55.410 59.376 -3.966 18797 8549 1 14 . 1 1 76 76 TRP CB C 76 31.160 31.160 29.788 1.372 18797 8550 1 14 . 1 1 76 76 TRP H H 76 7.970 7.970 8.659 -0.689 18797 8551 1 14 . 1 1 77 77 ALA N N 77 125.520 125.520 121.646 3.874 18797 8552 1 14 . 1 1 77 77 ALA C C 77 175.620 175.620 176.948 -1.328 18797 8553 1 14 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.925 0.145 18797 8554 1 14 . 1 1 77 77 ALA CB C 77 21.140 21.140 17.947 3.193 18797 8555 1 14 . 1 1 77 77 ALA H H 77 7.740 7.740 7.975 -0.235 18797 8556 1 14 . 1 1 78 78 SER N N 78 114.140 114.140 114.733 -0.593 18797 8557 1 14 . 1 1 78 78 SER C C 78 170.060 170.060 173.743 -3.683 18797 8558 1 14 . 1 1 78 78 SER CA C 78 57.250 57.250 58.712 -1.462 18797 8559 1 14 . 1 1 78 78 SER CB C 78 65.320 65.320 64.264 1.056 18797 8560 1 14 . 1 1 78 78 SER H H 78 8.100 8.100 7.403 0.697 18797 8561 1 14 . 1 1 79 79 ILE N N 79 120.650 120.650 120.435 0.215 18797 8562 1 14 . 1 1 79 79 ILE C C 79 172.470 172.470 174.545 -2.075 18797 8563 1 14 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.803 -2.353 18797 8564 1 14 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.687 0.413 18797 8565 1 14 . 1 1 79 79 ILE H H 79 8.960 8.960 8.149 0.811 18797 8566 1 14 . 1 1 80 80 TYR N N 80 120.580 120.580 124.543 -3.963 18797 8567 1 14 . 1 1 80 80 TYR C C 80 173.000 173.000 173.661 -0.661 18797 8568 1 14 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.313 0.667 18797 8569 1 14 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.527 -0.497 18797 8570 1 14 . 1 1 80 80 TYR H H 80 8.360 8.360 8.535 -0.175 18797 8571 1 14 . 1 1 81 81 GLY N N 81 106.140 106.140 109.350 -3.210 18797 8572 1 14 . 1 1 81 81 GLY C C 81 170.920 170.920 171.730 -0.810 18797 8573 1 14 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.764 0.236 18797 8574 1 14 . 1 1 81 81 GLY H H 81 8.050 8.050 8.311 -0.261 18797 8575 1 14 . 1 1 82 82 VAL N N 82 111.380 111.380 123.910 -12.530 18797 8576 1 14 . 1 1 82 82 VAL C C 82 174.370 174.370 173.686 0.684 18797 8577 1 14 . 1 1 82 82 VAL CA C 82 58.180 58.180 60.494 -2.314 18797 8578 1 14 . 1 1 82 82 VAL CB C 82 35.440 35.440 36.650 -1.210 18797 8579 1 14 . 1 1 82 82 VAL H H 82 8.490 8.490 8.481 0.009 18797 8580 1 14 . 1 1 83 83 VAL N N 83 113.660 113.660 122.668 -9.008 18797 8581 1 14 . 1 1 83 83 VAL C C 83 174.680 174.680 174.530 0.150 18797 8582 1 14 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.153 -0.063 18797 8583 1 14 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.860 1.160 18797 8584 1 14 . 1 1 83 83 VAL H H 83 8.970 8.970 8.435 0.535 18797 8585 1 14 . 1 1 84 84 GLY N N 84 108.310 108.310 111.061 -2.751 18797 8586 1 14 . 1 1 84 84 GLY C C 84 171.440 171.440 172.272 -0.832 18797 8587 1 14 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.459 2.311 18797 8588 1 14 . 1 1 84 84 GLY H H 84 8.480 8.480 8.336 0.144 18797 8589 1 14 . 1 1 85 85 VAL N N 85 122.520 122.520 119.290 3.230 18797 8590 1 14 . 1 1 85 85 VAL C C 85 172.560 172.560 174.880 -2.320 18797 8591 1 14 . 1 1 85 85 VAL CA C 85 59.170 59.170 59.782 -0.613 18797 8592 1 14 . 1 1 85 85 VAL CB C 85 35.810 35.810 33.724 2.086 18797 8593 1 14 . 1 1 85 85 VAL H H 85 8.920 8.920 8.062 0.858 18797 8594 1 14 . 1 1 86 86 GLY N N 86 113.360 113.360 113.915 -0.555 18797 8595 1 14 . 1 1 86 86 GLY C C 86 172.210 172.210 171.799 0.411 18797 8596 1 14 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.471 -0.191 18797 8597 1 14 . 1 1 86 86 GLY H H 86 8.880 8.880 8.329 0.551 18797 8598 1 14 . 1 1 87 87 TYR N N 87 123.830 123.830 121.818 2.012 18797 8599 1 14 . 1 1 87 87 TYR C C 87 174.030 174.030 175.011 -0.981 18797 8600 1 14 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.959 -0.029 18797 8601 1 14 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.286 -0.256 18797 8602 1 14 . 1 1 87 87 TYR H H 87 9.310 9.310 8.450 0.860 18797 8603 1 14 . 1 1 88 88 GLY N N 88 112.300 112.300 109.826 2.474 18797 8604 1 14 . 1 1 88 88 GLY C C 88 170.620 170.620 172.087 -1.467 18797 8605 1 14 . 1 1 88 88 GLY CA C 88 44.400 44.400 44.199 0.201 18797 8606 1 14 . 1 1 88 88 GLY H H 88 8.000 8.000 8.740 -0.740 18797 8607 1 14 . 1 1 89 89 LYS N N 89 122.410 122.410 123.376 -0.966 18797 8608 1 14 . 1 1 89 89 LYS CA C 89 54.480 54.480 53.911 0.569 18797 8609 1 14 . 1 1 89 89 LYS H H 89 8.230 8.230 8.451 -0.221 18797 8610 1 14 . 1 1 90 90 PHE C C 90 175.190 175.190 174.278 0.912 18797 8611 1 14 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.908 -1.878 18797 8612 1 14 . 1 1 90 90 PHE CB C 90 40.510 40.510 42.003 -1.493 18797 8613 1 14 . 1 1 91 91 GLN N N 91 122.380 122.380 126.071 -3.691 18797 8614 1 14 . 1 1 91 91 GLN CA C 91 55.330 55.330 55.335 -0.005 18797 8615 1 14 . 1 1 91 91 GLN CB C 91 29.700 29.700 30.468 -0.768 18797 8616 1 14 . 1 1 91 91 GLN H H 91 8.370 8.370 7.678 0.692 18797 8617 1 14 . 1 1 94 94 GLU N N 94 175.780 175.780 121.443 54.337 18797 8618 1 14 . 1 1 94 94 GLU CA C 94 57.030 57.030 59.034 -2.004 18797 8619 1 14 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.697 -0.237 18797 8620 1 14 . 1 1 95 95 TYR N N 95 120.240 120.240 119.226 1.014 18797 8621 1 14 . 1 1 95 95 TYR CA C 95 55.290 55.290 55.532 -0.242 18797 8622 1 14 . 1 1 95 95 TYR CB C 95 37.730 37.730 39.142 -1.412 18797 8623 1 14 . 1 1 95 95 TYR H H 95 7.830 7.830 7.789 0.041 18797 8624 1 14 . 1 1 97 97 THR CA C 97 62.210 62.210 61.192 1.018 18797 8625 1 14 . 1 1 97 97 THR H H 97 174.320 174.320 8.065 166.255 18797 8626 1 14 . 1 1 98 98 TYR N N 98 122.540 122.540 121.924 0.616 18797 8627 1 14 . 1 1 98 98 TYR C C 98 175.000 175.000 176.426 -1.426 18797 8628 1 14 . 1 1 98 98 TYR CA C 98 57.530 57.530 59.671 -2.141 18797 8629 1 14 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.548 -0.199 18797 8630 1 14 . 1 1 98 98 TYR H H 98 8.040 8.040 8.351 -0.311 18797 8631 1 14 . 1 1 101 101 ASP CA C 101 54.020 54.020 54.326 -0.306 18797 8632 1 14 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.316 -1.615 18797 8633 1 14 . 1 1 101 101 ASP H H 101 176.040 176.040 8.565 167.475 18797 8634 1 14 . 1 1 102 102 THR N N 102 117.650 117.650 119.811 -2.161 18797 8635 1 14 . 1 1 102 102 THR C C 102 173.840 173.840 173.419 0.421 18797 8636 1 14 . 1 1 102 102 THR CA C 102 61.590 61.590 61.582 0.008 18797 8637 1 14 . 1 1 102 102 THR CB C 102 69.970 69.970 71.615 -1.645 18797 8638 1 14 . 1 1 102 102 THR H H 102 8.520 8.520 8.474 0.046 18797 8639 1 14 . 1 1 103 103 SER N N 103 119.470 119.470 118.683 0.787 18797 8640 1 14 . 1 1 103 103 SER C C 103 173.580 173.580 172.798 0.782 18797 8641 1 14 . 1 1 103 103 SER CA C 103 57.310 57.310 57.202 0.108 18797 8642 1 14 . 1 1 103 103 SER H H 103 8.240 8.240 8.566 -0.326 18797 8643 1 14 . 1 1 104 104 ASP N N 104 122.250 122.250 119.909 2.341 18797 8644 1 14 . 1 1 104 104 ASP C C 104 173.100 173.100 174.288 -1.188 18797 8645 1 14 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.905 -0.305 18797 8646 1 14 . 1 1 104 104 ASP CB C 104 44.060 44.060 44.318 -0.258 18797 8647 1 14 . 1 1 104 104 ASP H H 104 8.270 8.270 8.324 -0.054 18797 8648 1 14 . 1 1 105 105 TYR N N 105 116.040 116.040 119.802 -3.762 18797 8649 1 14 . 1 1 105 105 TYR C C 105 175.860 175.860 174.872 0.988 18797 8650 1 14 . 1 1 105 105 TYR CA C 105 55.550 55.550 55.028 0.522 18797 8651 1 14 . 1 1 105 105 TYR CB C 105 41.630 41.630 40.572 1.058 18797 8652 1 14 . 1 1 105 105 TYR H H 105 8.560 8.560 8.285 0.275 18797 8653 1 14 . 1 1 106 106 GLY N N 106 108.500 108.500 108.743 -0.243 18797 8654 1 14 . 1 1 106 106 GLY C C 106 172.030 172.030 171.783 0.247 18797 8655 1 14 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.155 0.335 18797 8656 1 14 . 1 1 106 106 GLY H H 106 9.190 9.190 8.256 0.934 18797 8657 1 14 . 1 1 107 107 PHE N N 107 121.420 121.420 118.369 3.051 18797 8658 1 14 . 1 1 107 107 PHE C C 107 175.430 175.430 175.054 0.376 18797 8659 1 14 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.907 0.633 18797 8660 1 14 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.077 -0.876 18797 8661 1 14 . 1 1 107 107 PHE H H 107 8.860 8.860 8.573 0.287 18797 8662 1 14 . 1 1 108 108 SER N N 108 123.250 123.250 117.776 5.474 18797 8663 1 14 . 1 1 108 108 SER C C 108 171.430 171.430 173.109 -1.679 18797 8664 1 14 . 1 1 108 108 SER CA C 108 56.100 56.100 56.159 -0.059 18797 8665 1 14 . 1 1 108 108 SER CB C 108 65.720 65.720 65.068 0.652 18797 8666 1 14 . 1 1 108 108 SER H H 108 8.110 8.110 8.451 -0.341 18797 8667 1 14 . 1 1 109 109 TYR N N 109 117.840 117.840 126.066 -8.226 18797 8668 1 14 . 1 1 109 109 TYR C C 109 173.560 173.560 175.064 -1.504 18797 8669 1 14 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.157 -0.838 18797 8670 1 14 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.546 -2.986 18797 8671 1 14 . 1 1 109 109 TYR H H 109 8.480 8.480 8.327 0.153 18797 8672 1 14 . 1 1 110 110 GLY N N 110 106.400 106.400 108.501 -2.101 18797 8673 1 14 . 1 1 110 110 GLY C C 110 171.350 171.350 171.272 0.078 18797 8674 1 14 . 1 1 110 110 GLY CA C 110 46.160 46.160 43.802 2.358 18797 8675 1 14 . 1 1 110 110 GLY H H 110 8.980 8.980 8.748 0.232 18797 8676 1 14 . 1 1 111 111 ALA N N 111 119.140 119.140 121.114 -1.974 18797 8677 1 14 . 1 1 111 111 ALA C C 111 174.640 174.640 174.701 -0.061 18797 8678 1 14 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.051 0.919 18797 8679 1 14 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.618 -0.468 18797 8680 1 14 . 1 1 111 111 ALA H H 111 8.390 8.390 7.393 0.997 18797 8681 1 14 . 1 1 112 112 GLY N N 112 106.070 106.070 106.428 -0.358 18797 8682 1 14 . 1 1 112 112 GLY C C 112 169.770 169.770 171.503 -1.733 18797 8683 1 14 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.595 0.675 18797 8684 1 14 . 1 1 112 112 GLY H H 112 7.820 7.820 7.444 0.376 18797 8685 1 14 . 1 1 113 113 LEU N N 113 116.370 116.370 119.871 -3.501 18797 8686 1 14 . 1 1 113 113 LEU C C 113 175.090 175.090 175.158 -0.068 18797 8687 1 14 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.543 -0.853 18797 8688 1 14 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.421 1.139 18797 8689 1 14 . 1 1 113 113 LEU H H 113 8.930 8.930 8.287 0.643 18797 8690 1 14 . 1 1 114 114 GLN N N 114 115.860 115.860 120.014 -4.154 18797 8691 1 14 . 1 1 114 114 GLN C C 114 176.910 176.910 174.271 2.639 18797 8692 1 14 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.483 -0.753 18797 8693 1 14 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.116 0.174 18797 8694 1 14 . 1 1 114 114 GLN H H 114 7.860 7.860 8.542 -0.682 18797 8695 1 14 . 1 1 115 115 PHE N N 115 126.580 126.580 126.432 0.148 18797 8696 1 14 . 1 1 115 115 PHE C C 115 175.740 175.740 172.642 3.098 18797 8697 1 14 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.158 -1.958 18797 8698 1 14 . 1 1 115 115 PHE CB C 115 43.370 43.370 43.223 0.147 18797 8699 1 14 . 1 1 115 115 PHE H H 115 9.750 9.750 8.848 0.902 18797 8700 1 14 . 1 1 116 116 ASN N N 116 119.920 119.920 123.032 -3.112 18797 8701 1 14 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.739 0.461 18797 8702 1 14 . 1 1 116 116 ASN CB C 116 40.650 40.650 38.919 1.731 18797 8703 1 14 . 1 1 116 116 ASN H H 116 9.450 9.450 8.139 1.311 18797 8704 1 14 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.688 2.012 18797 8705 1 14 . 1 1 118 118 MET N N 118 110.530 110.530 119.497 -8.967 18797 8706 1 14 . 1 1 118 118 MET C C 118 176.130 176.130 176.892 -0.762 18797 8707 1 14 . 1 1 118 118 MET CA C 118 53.980 53.980 56.972 -2.992 18797 8708 1 14 . 1 1 118 118 MET CB C 118 36.310 36.310 33.397 2.913 18797 8709 1 14 . 1 1 118 118 MET H H 118 7.310 7.310 8.336 -1.026 18797 8710 1 14 . 1 1 119 119 GLU N N 119 120.320 120.320 122.467 -2.147 18797 8711 1 14 . 1 1 119 119 GLU C C 119 176.810 176.810 177.431 -0.621 18797 8712 1 14 . 1 1 119 119 GLU CA C 119 59.600 59.600 58.345 1.255 18797 8713 1 14 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.140 0.010 18797 8714 1 14 . 1 1 119 119 GLU H H 119 9.120 9.120 8.802 0.318 18797 8715 1 14 . 1 1 120 120 ASN N N 120 112.490 112.490 118.979 -6.489 18797 8716 1 14 . 1 1 120 120 ASN C C 120 174.080 174.080 176.368 -2.288 18797 8717 1 14 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.218 -1.818 18797 8718 1 14 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.142 0.688 18797 8719 1 14 . 1 1 120 120 ASN H H 120 8.430 8.430 8.672 -0.242 18797 8720 1 14 . 1 1 121 121 VAL N N 121 117.760 117.760 118.230 -0.470 18797 8721 1 14 . 1 1 121 121 VAL C C 121 174.750 174.750 175.350 -0.600 18797 8722 1 14 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.644 -1.954 18797 8723 1 14 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.974 4.926 18797 8724 1 14 . 1 1 121 121 VAL H H 121 7.500 7.500 7.302 0.198 18797 8725 1 14 . 1 1 122 122 ALA N N 122 127.190 127.190 123.384 3.806 18797 8726 1 14 . 1 1 122 122 ALA C C 122 175.140 175.140 175.470 -0.330 18797 8727 1 14 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.785 -1.395 18797 8728 1 14 . 1 1 122 122 ALA CB C 122 22.820 22.820 22.001 0.819 18797 8729 1 14 . 1 1 122 122 ALA H H 122 8.230 8.230 7.316 0.914 18797 8730 1 14 . 1 1 123 123 LEU N N 123 120.270 120.270 117.259 3.011 18797 8731 1 14 . 1 1 123 123 LEU C C 123 174.310 174.310 174.766 -0.456 18797 8732 1 14 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.271 0.389 18797 8733 1 14 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.141 -1.631 18797 8734 1 14 . 1 1 123 123 LEU H H 123 8.910 8.910 8.658 0.252 18797 8735 1 14 . 1 1 124 124 ASP N N 124 127.350 127.350 117.359 9.991 18797 8736 1 14 . 1 1 124 124 ASP C C 124 171.830 171.830 174.634 -2.804 18797 8737 1 14 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.096 1.724 18797 8738 1 14 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.391 3.099 18797 8739 1 14 . 1 1 124 124 ASP H H 124 8.580 8.580 8.305 0.275 18797 8740 1 14 . 1 1 125 125 PHE N N 125 123.390 123.390 119.003 4.387 18797 8741 1 14 . 1 1 125 125 PHE C C 125 174.130 174.130 175.444 -1.314 18797 8742 1 14 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.731 -1.071 18797 8743 1 14 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.646 0.054 18797 8744 1 14 . 1 1 125 125 PHE H H 125 8.670 8.670 8.389 0.281 18797 8745 1 14 . 1 1 126 126 SER N N 126 118.680 118.680 116.752 1.928 18797 8746 1 14 . 1 1 126 126 SER C C 126 169.980 169.980 172.699 -2.719 18797 8747 1 14 . 1 1 126 126 SER CA C 126 58.120 58.120 57.344 0.775 18797 8748 1 14 . 1 1 126 126 SER CB C 126 66.950 66.950 67.046 -0.096 18797 8749 1 14 . 1 1 126 126 SER H H 126 9.390 9.390 8.888 0.502 18797 8750 1 14 . 1 1 127 127 TYR N N 127 119.080 119.080 119.619 -0.539 18797 8751 1 14 . 1 1 127 127 TYR C C 127 174.390 174.390 173.825 0.565 18797 8752 1 14 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.056 0.384 18797 8753 1 14 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.611 1.489 18797 8754 1 14 . 1 1 127 127 TYR H H 127 8.610 8.610 8.527 0.083 18797 8755 1 14 . 1 1 128 128 GLU N N 128 130.070 130.070 122.411 7.659 18797 8756 1 14 . 1 1 128 128 GLU C C 128 172.590 172.590 174.833 -2.243 18797 8757 1 14 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.066 0.064 18797 8758 1 14 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.842 -0.342 18797 8759 1 14 . 1 1 128 128 GLU H H 128 8.510 8.510 8.564 -0.054 18797 8760 1 14 . 1 1 129 129 GLN N N 129 128.670 128.670 125.517 3.153 18797 8761 1 14 . 1 1 129 129 GLN C C 129 173.690 173.690 174.431 -0.741 18797 8762 1 14 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.576 -1.366 18797 8763 1 14 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.572 -1.522 18797 8764 1 14 . 1 1 129 129 GLN H H 129 9.330 9.330 8.878 0.452 18797 8765 1 14 . 1 1 130 130 SER N N 130 118.630 118.630 120.332 -1.702 18797 8766 1 14 . 1 1 130 130 SER C C 130 174.210 174.210 173.926 0.284 18797 8767 1 14 . 1 1 130 130 SER CA C 130 56.450 56.450 56.386 0.064 18797 8768 1 14 . 1 1 130 130 SER CB C 130 66.260 66.260 65.241 1.019 18797 8769 1 14 . 1 1 130 130 SER H H 130 8.580 8.580 8.086 0.494 18797 8770 1 14 . 1 1 131 131 ARG N N 131 126.850 126.850 126.441 0.409 18797 8771 1 14 . 1 1 131 131 ARG C C 131 174.740 174.740 175.860 -1.120 18797 8772 1 14 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.741 -0.401 18797 8773 1 14 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.788 -0.878 18797 8774 1 14 . 1 1 131 131 ARG H H 131 7.690 7.690 8.860 -1.170 18797 8775 1 14 . 1 1 132 132 ILE N N 132 129.470 129.470 126.851 2.619 18797 8776 1 14 . 1 1 132 132 ILE C C 132 175.500 175.500 176.357 -0.857 18797 8777 1 14 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.677 -2.787 18797 8778 1 14 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.389 0.931 18797 8779 1 14 . 1 1 132 132 ILE H H 132 8.730 8.730 8.739 -0.009 18797 8780 1 14 . 1 1 133 133 ARG N N 133 127.220 127.220 128.355 -1.135 18797 8781 1 14 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.483 2.627 18797 8782 1 14 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.976 -3.656 18797 8783 1 14 . 1 1 133 133 ARG H H 133 9.400 9.400 8.200 1.200 18797 8784 1 14 . 1 1 134 134 SER C C 134 173.290 173.290 173.262 0.028 18797 8785 1 14 . 1 1 134 134 SER CA C 134 58.490 58.490 60.359 -1.869 18797 8786 1 14 . 1 1 134 134 SER CB C 134 62.860 62.860 63.118 -0.258 18797 8787 1 14 . 1 1 135 135 VAL N N 135 124.810 124.810 120.786 4.024 18797 8788 1 14 . 1 1 135 135 VAL C C 135 174.650 174.650 174.633 0.017 18797 8789 1 14 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.587 0.284 18797 8790 1 14 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.635 -2.575 18797 8791 1 14 . 1 1 135 135 VAL H H 135 8.270 8.270 7.395 0.875 18797 8792 1 14 . 1 1 136 136 ASP N N 136 127.750 127.750 126.123 1.627 18797 8793 1 14 . 1 1 136 136 ASP C C 136 175.130 175.130 175.417 -0.287 18797 8794 1 14 . 1 1 136 136 ASP CA C 136 54.220 54.220 53.296 0.924 18797 8795 1 14 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.501 -0.751 18797 8796 1 14 . 1 1 136 136 ASP H H 136 8.010 8.010 8.453 -0.443 18797 8797 1 14 . 1 1 137 137 VAL N N 137 124.520 124.520 122.258 2.262 18797 8798 1 14 . 1 1 137 137 VAL C C 137 174.690 174.690 175.438 -0.748 18797 8799 1 14 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.707 -0.257 18797 8800 1 14 . 1 1 137 137 VAL CB C 137 32.800 32.800 32.847 -0.047 18797 8801 1 14 . 1 1 137 137 VAL H H 137 8.720 8.720 7.817 0.903 18797 8802 1 14 . 1 1 138 138 GLY N N 138 116.920 116.920 114.663 2.257 18797 8803 1 14 . 1 1 138 138 GLY C C 138 172.930 172.930 172.381 0.549 18797 8804 1 14 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.228 0.252 18797 8805 1 14 . 1 1 138 138 GLY H H 138 8.240 8.240 8.489 -0.249 18797 8806 1 14 . 1 1 139 139 THR N N 139 125.070 125.070 121.981 3.089 18797 8807 1 14 . 1 1 139 139 THR C C 139 171.920 171.920 173.419 -1.499 18797 8808 1 14 . 1 1 139 139 THR CA C 139 60.890 60.890 61.233 -0.343 18797 8809 1 14 . 1 1 139 139 THR CB C 139 70.290 70.290 71.529 -1.239 18797 8810 1 14 . 1 1 139 139 THR H H 139 8.710 8.710 7.827 0.883 18797 8811 1 14 . 1 1 140 140 TRP N N 140 125.840 125.840 126.096 -0.256 18797 8812 1 14 . 1 1 140 140 TRP C C 140 175.070 175.070 175.260 -0.190 18797 8813 1 14 . 1 1 140 140 TRP CA C 140 55.130 55.130 56.368 -1.238 18797 8814 1 14 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.050 0.050 18797 8815 1 14 . 1 1 140 140 TRP H H 140 8.330 8.330 8.617 -0.287 18797 8816 1 14 . 1 1 141 141 ILE N N 141 123.240 123.240 122.726 0.514 18797 8817 1 14 . 1 1 141 141 ILE C C 141 174.870 174.870 174.565 0.305 18797 8818 1 14 . 1 1 141 141 ILE CA C 141 60.390 60.390 60.006 0.384 18797 8819 1 14 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.556 -0.926 18797 8820 1 14 . 1 1 141 141 ILE H H 141 8.980 8.980 9.036 -0.056 18797 8821 1 14 . 1 1 142 142 ALA N N 142 127.680 127.680 128.535 -0.855 18797 8822 1 14 . 1 1 142 142 ALA C C 142 175.700 175.700 175.855 -0.155 18797 8823 1 14 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.157 0.373 18797 8824 1 14 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.469 -0.259 18797 8825 1 14 . 1 1 142 142 ALA H H 142 8.350 8.350 8.579 -0.229 18797 8826 1 14 . 1 1 143 143 GLY N N 143 109.030 109.030 109.604 -0.574 18797 8827 1 14 . 1 1 143 143 GLY C C 143 172.090 172.090 171.774 0.316 18797 8828 1 14 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.353 1.077 18797 8829 1 14 . 1 1 143 143 GLY H H 143 9.520 9.520 8.264 1.256 18797 8830 1 14 . 1 1 144 144 VAL N N 144 114.110 114.110 119.806 -5.696 18797 8831 1 14 . 1 1 144 144 VAL C C 144 174.010 174.010 175.020 -1.010 18797 8832 1 14 . 1 1 144 144 VAL CA C 144 58.270 58.270 59.615 -1.345 18797 8833 1 14 . 1 1 144 144 VAL CB C 144 35.490 35.490 35.472 0.018 18797 8834 1 14 . 1 1 144 144 VAL H H 144 8.750 8.750 8.422 0.328 18797 8835 1 14 . 1 1 145 145 GLY N N 145 107.360 107.360 111.681 -4.321 18797 8836 1 14 . 1 1 145 145 GLY C C 145 171.210 171.210 171.633 -0.423 18797 8837 1 14 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.782 1.988 18797 8838 1 14 . 1 1 145 145 GLY H H 145 8.590 8.590 8.813 -0.223 18797 8839 1 14 . 1 1 146 146 TYR N N 146 121.960 121.960 114.934 7.026 18797 8840 1 14 . 1 1 146 146 TYR C C 146 172.440 172.440 173.334 -0.894 18797 8841 1 14 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.014 0.235 18797 8842 1 14 . 1 1 146 146 TYR CB C 146 44.270 44.270 40.901 3.369 18797 8843 1 14 . 1 1 146 146 TYR H H 146 8.370 8.370 7.838 0.532 18797 8844 1 14 . 1 1 147 147 ARG N N 147 129.590 129.590 119.733 9.857 18797 8845 1 14 . 1 1 147 147 ARG C C 147 173.850 173.850 176.012 -2.162 18797 8846 1 14 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.371 -1.011 18797 8847 1 14 . 1 1 147 147 ARG CB C 147 32.420 32.420 32.763 -0.343 18797 8848 1 14 . 1 1 147 147 ARG H H 147 7.690 7.690 8.251 -0.561 18797 8849 1 15 . 1 1 2 2 THR N N 2 114.280 114.280 113.177 1.103 18797 8850 1 15 . 1 1 2 2 THR C C 2 173.570 173.570 173.956 -0.386 18797 8851 1 15 . 1 1 2 2 THR CA C 2 61.040 61.040 61.245 -0.205 18797 8852 1 15 . 1 1 2 2 THR CB C 2 71.930 71.930 69.933 1.997 18797 8853 1 15 . 1 1 2 2 THR H H 2 8.490 8.490 8.272 0.218 18797 8854 1 15 . 1 1 3 3 SER N N 3 122.430 122.430 114.974 7.456 18797 8855 1 15 . 1 1 3 3 SER C C 3 172.590 172.590 172.983 -0.393 18797 8856 1 15 . 1 1 3 3 SER CA C 3 56.760 56.760 57.218 -0.458 18797 8857 1 15 . 1 1 3 3 SER CB C 3 65.480 65.480 66.113 -0.633 18797 8858 1 15 . 1 1 3 3 SER H H 3 9.000 9.000 8.187 0.813 18797 8859 1 15 . 1 1 4 4 THR N N 4 117.240 117.240 112.321 4.919 18797 8860 1 15 . 1 1 4 4 THR C C 4 174.640 174.640 173.467 1.173 18797 8861 1 15 . 1 1 4 4 THR CA C 4 61.390 61.390 60.159 1.231 18797 8862 1 15 . 1 1 4 4 THR CB C 4 70.680 70.680 71.891 -1.211 18797 8863 1 15 . 1 1 4 4 THR H H 4 8.610 8.610 8.141 0.469 18797 8864 1 15 . 1 1 5 5 VAL N N 5 129.440 129.440 122.163 7.277 18797 8865 1 15 . 1 1 5 5 VAL C C 5 174.770 174.770 174.806 -0.036 18797 8866 1 15 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.770 -1.010 18797 8867 1 15 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.886 -0.396 18797 8868 1 15 . 1 1 5 5 VAL H H 5 8.750 8.750 7.706 1.044 18797 8869 1 15 . 1 1 6 6 THR N N 6 116.430 116.430 122.318 -5.888 18797 8870 1 15 . 1 1 6 6 THR C C 6 172.930 172.930 173.318 -0.388 18797 8871 1 15 . 1 1 6 6 THR CA C 6 58.590 58.590 60.654 -2.064 18797 8872 1 15 . 1 1 6 6 THR CB C 6 70.930 70.930 71.799 -0.869 18797 8873 1 15 . 1 1 6 6 THR H H 6 8.890 8.890 8.156 0.734 18797 8874 1 15 . 1 1 7 7 GLY N N 7 105.590 105.590 110.950 -5.360 18797 8875 1 15 . 1 1 7 7 GLY C C 7 172.430 172.430 171.965 0.465 18797 8876 1 15 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.774 0.546 18797 8877 1 15 . 1 1 7 7 GLY H H 7 8.760 8.760 8.349 0.411 18797 8878 1 15 . 1 1 8 8 GLY N N 8 106.530 106.530 109.406 -2.876 18797 8879 1 15 . 1 1 8 8 GLY C C 8 173.030 173.030 171.784 1.246 18797 8880 1 15 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.821 1.109 18797 8881 1 15 . 1 1 8 8 GLY H H 8 9.100 9.100 8.072 1.028 18797 8882 1 15 . 1 1 9 9 TYR N N 9 121.730 121.730 118.193 3.537 18797 8883 1 15 . 1 1 9 9 TYR C C 9 172.390 172.390 174.235 -1.845 18797 8884 1 15 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.213 0.627 18797 8885 1 15 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.796 -1.716 18797 8886 1 15 . 1 1 9 9 TYR H H 9 8.410 8.410 8.224 0.186 18797 8887 1 15 . 1 1 10 10 ALA N N 10 128.460 128.460 122.071 6.389 18797 8888 1 15 . 1 1 10 10 ALA C C 10 174.020 174.020 175.877 -1.857 18797 8889 1 15 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.762 -1.552 18797 8890 1 15 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.616 -0.396 18797 8891 1 15 . 1 1 10 10 ALA H H 10 6.910 6.910 9.275 -2.365 18797 8892 1 15 . 1 1 11 11 GLN N N 11 118.830 118.830 121.633 -2.803 18797 8893 1 15 . 1 1 11 11 GLN C C 11 175.650 175.650 175.466 0.184 18797 8894 1 15 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.538 0.292 18797 8895 1 15 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.739 -0.679 18797 8896 1 15 . 1 1 11 11 GLN H H 11 8.100 8.100 8.409 -0.309 18797 8897 1 15 . 1 1 12 12 SER N N 12 124.200 124.200 118.289 5.911 18797 8898 1 15 . 1 1 12 12 SER C C 12 172.710 172.710 174.358 -1.648 18797 8899 1 15 . 1 1 12 12 SER CA C 12 57.190 57.190 55.868 1.322 18797 8900 1 15 . 1 1 12 12 SER CB C 12 64.180 64.180 65.801 -1.621 18797 8901 1 15 . 1 1 12 12 SER H H 12 9.160 9.160 8.608 0.552 18797 8902 1 15 . 1 1 13 13 ASP N N 13 124.950 124.950 123.022 1.928 18797 8903 1 15 . 1 1 13 13 ASP C C 13 174.860 174.860 175.538 -0.678 18797 8904 1 15 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.843 -0.883 18797 8905 1 15 . 1 1 13 13 ASP CB C 13 42.920 42.920 41.831 1.089 18797 8906 1 15 . 1 1 13 13 ASP H H 13 9.070 9.070 8.063 1.007 18797 8907 1 15 . 1 1 14 14 ALA N N 14 128.730 128.730 125.682 3.048 18797 8908 1 15 . 1 1 14 14 ALA C C 14 176.230 176.230 177.474 -1.244 18797 8909 1 15 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.909 -2.099 18797 8910 1 15 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.104 -0.604 18797 8911 1 15 . 1 1 14 14 ALA H H 14 8.560 8.560 8.134 0.426 18797 8912 1 15 . 1 1 15 15 GLN N N 15 122.750 122.750 121.113 1.637 18797 8913 1 15 . 1 1 15 15 GLN C C 15 176.660 176.660 176.270 0.390 18797 8914 1 15 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.757 2.363 18797 8915 1 15 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.367 -2.207 18797 8916 1 15 . 1 1 15 15 GLN H H 15 8.340 8.340 8.427 -0.087 18797 8917 1 15 . 1 1 16 16 GLY N N 16 112.800 112.800 108.132 4.668 18797 8918 1 15 . 1 1 16 16 GLY C C 16 174.400 174.400 174.636 -0.236 18797 8919 1 15 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.679 -0.499 18797 8920 1 15 . 1 1 16 16 GLY H H 16 8.650 8.650 8.294 0.356 18797 8921 1 15 . 1 1 17 17 GLN N N 17 119.300 119.300 119.615 -0.315 18797 8922 1 15 . 1 1 17 17 GLN C C 17 175.720 175.720 174.699 1.021 18797 8923 1 15 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.806 -2.206 18797 8924 1 15 . 1 1 17 17 GLN CB C 17 32.800 32.800 28.390 4.410 18797 8925 1 15 . 1 1 17 17 GLN H H 17 8.080 8.080 8.796 -0.716 18797 8926 1 15 . 1 1 18 18 MET N N 18 120.170 120.170 116.198 3.972 18797 8927 1 15 . 1 1 18 18 MET C C 18 175.400 175.400 174.373 1.027 18797 8928 1 15 . 1 1 18 18 MET CA C 18 55.980 55.980 54.414 1.565 18797 8929 1 15 . 1 1 18 18 MET CB C 18 35.590 35.590 36.115 -0.525 18797 8930 1 15 . 1 1 18 18 MET H H 18 8.370 8.370 7.660 0.711 18797 8931 1 15 . 1 1 19 19 ASN N N 19 117.900 117.900 119.270 -1.370 18797 8932 1 15 . 1 1 19 19 ASN C C 19 174.400 174.400 174.394 0.006 18797 8933 1 15 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.207 0.093 18797 8934 1 15 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.684 -0.284 18797 8935 1 15 . 1 1 19 19 ASN H H 19 7.990 7.990 8.585 -0.595 18797 8936 1 15 . 1 1 20 20 LYS N N 20 120.800 120.800 119.699 1.101 18797 8937 1 15 . 1 1 20 20 LYS C C 20 176.410 176.410 175.510 0.900 18797 8938 1 15 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.712 -1.012 18797 8939 1 15 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.432 -1.532 18797 8940 1 15 . 1 1 20 20 LYS H H 20 8.340 8.340 8.452 -0.112 18797 8941 1 15 . 1 1 21 21 MET N N 21 120.500 120.500 120.194 0.306 18797 8942 1 15 . 1 1 21 21 MET C C 21 175.270 175.270 174.603 0.667 18797 8943 1 15 . 1 1 21 21 MET CA C 21 54.800 54.800 54.634 0.166 18797 8944 1 15 . 1 1 21 21 MET CB C 21 34.730 34.730 37.136 -2.406 18797 8945 1 15 . 1 1 21 21 MET H H 21 8.580 8.580 7.799 0.781 18797 8946 1 15 . 1 1 22 22 GLY N N 22 111.280 111.280 109.854 1.426 18797 8947 1 15 . 1 1 22 22 GLY C C 22 174.030 174.030 172.274 1.756 18797 8948 1 15 . 1 1 22 22 GLY CA C 22 43.810 43.810 44.171 -0.361 18797 8949 1 15 . 1 1 22 22 GLY H H 22 8.430 8.430 8.327 0.103 18797 8950 1 15 . 1 1 23 23 GLY N N 23 120.170 120.170 110.476 9.694 18797 8951 1 15 . 1 1 23 23 GLY C C 23 171.850 171.850 172.046 -0.196 18797 8952 1 15 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.175 1.975 18797 8953 1 15 . 1 1 23 23 GLY H H 23 8.180 8.180 8.394 -0.214 18797 8954 1 15 . 1 1 24 24 PHE N N 24 121.370 121.370 119.300 2.070 18797 8955 1 15 . 1 1 24 24 PHE C C 24 171.570 171.570 173.397 -1.827 18797 8956 1 15 . 1 1 24 24 PHE CA C 24 54.730 54.730 54.575 0.155 18797 8957 1 15 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.298 1.212 18797 8958 1 15 . 1 1 24 24 PHE H H 24 9.230 9.230 8.323 0.907 18797 8959 1 15 . 1 1 25 25 ASN N N 25 118.950 118.950 117.592 1.358 18797 8960 1 15 . 1 1 25 25 ASN C C 25 172.080 172.080 173.607 -1.527 18797 8961 1 15 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.231 -1.361 18797 8962 1 15 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.075 4.375 18797 8963 1 15 . 1 1 25 25 ASN H H 25 8.520 8.520 8.595 -0.075 18797 8964 1 15 . 1 1 26 26 LEU N N 26 126.150 126.150 119.926 6.224 18797 8965 1 15 . 1 1 26 26 LEU C C 26 175.620 175.620 175.464 0.156 18797 8966 1 15 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.715 -0.225 18797 8967 1 15 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.761 0.869 18797 8968 1 15 . 1 1 26 26 LEU H H 26 9.340 9.340 8.409 0.931 18797 8969 1 15 . 1 1 27 27 LYS N N 27 117.980 117.980 121.880 -3.900 18797 8970 1 15 . 1 1 27 27 LYS C C 27 175.120 175.120 174.555 0.565 18797 8971 1 15 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.589 0.601 18797 8972 1 15 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.557 0.013 18797 8973 1 15 . 1 1 27 27 LYS H H 27 8.850 8.850 8.206 0.644 18797 8974 1 15 . 1 1 28 28 TYR N N 28 120.820 120.820 122.925 -2.105 18797 8975 1 15 . 1 1 28 28 TYR C C 28 172.480 172.480 174.691 -2.211 18797 8976 1 15 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.047 0.233 18797 8977 1 15 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.189 -0.289 18797 8978 1 15 . 1 1 28 28 TYR H H 28 8.430 8.430 8.535 -0.105 18797 8979 1 15 . 1 1 29 29 ARG N N 29 129.660 129.660 120.997 8.663 18797 8980 1 15 . 1 1 29 29 ARG C C 29 172.780 172.780 174.542 -1.762 18797 8981 1 15 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.924 -0.924 18797 8982 1 15 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.942 -0.932 18797 8983 1 15 . 1 1 29 29 ARG H H 29 8.670 8.670 8.014 0.656 18797 8984 1 15 . 1 1 30 30 TYR N N 30 127.210 127.210 123.101 4.109 18797 8985 1 15 . 1 1 30 30 TYR C C 30 175.000 175.000 175.949 -0.949 18797 8986 1 15 . 1 1 30 30 TYR CA C 30 56.830 56.830 57.291 -0.461 18797 8987 1 15 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.171 1.969 18797 8988 1 15 . 1 1 30 30 TYR H H 30 8.930 8.930 8.298 0.632 18797 8989 1 15 . 1 1 31 31 GLU N N 31 128.090 128.090 123.926 4.164 18797 8990 1 15 . 1 1 31 31 GLU C C 31 174.250 174.250 176.211 -1.961 18797 8991 1 15 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.501 -0.871 18797 8992 1 15 . 1 1 31 31 GLU CB C 31 32.490 32.490 29.854 2.636 18797 8993 1 15 . 1 1 31 31 GLU H H 31 8.170 8.170 8.296 -0.126 18797 8994 1 15 . 1 1 32 32 GLU N N 32 122.610 122.610 124.417 -1.807 18797 8995 1 15 . 1 1 32 32 GLU C C 32 176.920 176.920 175.244 1.676 18797 8996 1 15 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.902 -0.332 18797 8997 1 15 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.238 -1.468 18797 8998 1 15 . 1 1 32 32 GLU H H 32 9.120 9.120 8.486 0.634 18797 8999 1 15 . 1 1 33 33 ASP N N 33 121.920 121.920 120.853 1.067 18797 9000 1 15 . 1 1 33 33 ASP C C 33 176.990 176.990 176.209 0.781 18797 9001 1 15 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.946 1.924 18797 9002 1 15 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.795 -1.525 18797 9003 1 15 . 1 1 33 33 ASP H H 33 8.600 8.600 8.381 0.219 18797 9004 1 15 . 1 1 34 34 ASN N N 34 115.300 115.300 117.461 -2.161 18797 9005 1 15 . 1 1 34 34 ASN C C 34 174.280 174.280 176.234 -1.954 18797 9006 1 15 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.332 -1.972 18797 9007 1 15 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.651 -0.701 18797 9008 1 15 . 1 1 34 34 ASN H H 34 8.420 8.420 8.508 -0.088 18797 9009 1 15 . 1 1 35 35 SER N N 35 112.970 112.970 113.261 -0.291 18797 9010 1 15 . 1 1 35 35 SER CA C 35 54.260 54.260 58.409 -4.149 18797 9011 1 15 . 1 1 35 35 SER CB C 35 64.920 64.920 63.345 1.575 18797 9012 1 15 . 1 1 35 35 SER H H 35 7.270 7.270 8.019 -0.749 18797 9013 1 15 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.041 1.319 18797 9014 1 15 . 1 1 36 36 PRO CB C 36 31.470 31.470 33.055 -1.585 18797 9015 1 15 . 1 1 37 37 LEU N N 37 123.000 123.000 121.759 1.241 18797 9016 1 15 . 1 1 37 37 LEU C C 37 176.300 176.300 177.478 -1.178 18797 9017 1 15 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.456 -0.616 18797 9018 1 15 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.956 0.734 18797 9019 1 15 . 1 1 37 37 LEU H H 37 7.910 7.910 8.328 -0.418 18797 9020 1 15 . 1 1 38 38 GLY N N 38 117.320 117.320 108.361 8.959 18797 9021 1 15 . 1 1 38 38 GLY C C 38 172.340 172.340 172.982 -0.642 18797 9022 1 15 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.064 0.366 18797 9023 1 15 . 1 1 38 38 GLY H H 38 9.110 9.110 8.119 0.991 18797 9024 1 15 . 1 1 39 39 VAL N N 39 116.550 116.550 125.389 -8.839 18797 9025 1 15 . 1 1 39 39 VAL C C 39 171.720 171.720 175.729 -4.009 18797 9026 1 15 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.589 -2.589 18797 9027 1 15 . 1 1 39 39 VAL CB C 39 35.610 35.610 33.254 2.356 18797 9028 1 15 . 1 1 39 39 VAL H H 39 7.980 7.980 8.349 -0.369 18797 9029 1 15 . 1 1 40 40 ILE N N 40 125.640 125.640 122.158 3.482 18797 9030 1 15 . 1 1 40 40 ILE C C 40 171.600 171.600 174.738 -3.138 18797 9031 1 15 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.203 0.337 18797 9032 1 15 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.641 2.489 18797 9033 1 15 . 1 1 40 40 ILE H H 40 9.160 9.160 8.517 0.643 18797 9034 1 15 . 1 1 41 41 GLY N N 41 111.830 111.830 110.539 1.291 18797 9035 1 15 . 1 1 41 41 GLY C C 41 172.000 172.000 172.084 -0.084 18797 9036 1 15 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.415 -1.265 18797 9037 1 15 . 1 1 41 41 GLY H H 41 8.930 8.930 8.334 0.596 18797 9038 1 15 . 1 1 42 42 SER N N 42 116.940 116.940 118.572 -1.632 18797 9039 1 15 . 1 1 42 42 SER C C 42 172.100 172.100 172.456 -0.356 18797 9040 1 15 . 1 1 42 42 SER CA C 42 56.220 56.220 56.843 -0.623 18797 9041 1 15 . 1 1 42 42 SER CB C 42 62.920 62.920 66.242 -3.322 18797 9042 1 15 . 1 1 42 42 SER H H 42 9.190 9.190 8.576 0.614 18797 9043 1 15 . 1 1 43 43 PHE N N 43 129.230 129.230 126.550 2.680 18797 9044 1 15 . 1 1 43 43 PHE C C 43 172.920 172.920 173.806 -0.886 18797 9045 1 15 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.347 -0.387 18797 9046 1 15 . 1 1 43 43 PHE CB C 43 42.430 42.430 43.447 -1.017 18797 9047 1 15 . 1 1 43 43 PHE H H 43 9.300 9.300 8.730 0.570 18797 9048 1 15 . 1 1 44 44 THR N N 44 126.530 126.530 122.769 3.761 18797 9049 1 15 . 1 1 44 44 THR C C 44 171.340 171.340 171.910 -0.570 18797 9050 1 15 . 1 1 44 44 THR CA C 44 60.410 60.410 59.912 0.498 18797 9051 1 15 . 1 1 44 44 THR CB C 44 70.220 70.220 71.330 -1.110 18797 9052 1 15 . 1 1 44 44 THR H H 44 8.820 8.820 8.037 0.783 18797 9053 1 15 . 1 1 45 45 TYR N N 45 125.840 125.840 128.339 -2.499 18797 9054 1 15 . 1 1 45 45 TYR C C 45 174.000 174.000 173.498 0.502 18797 9055 1 15 . 1 1 45 45 TYR CA C 45 55.670 55.670 55.214 0.456 18797 9056 1 15 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.433 -1.433 18797 9057 1 15 . 1 1 45 45 TYR H H 45 8.210 8.210 8.162 0.048 18797 9058 1 15 . 1 1 46 46 THR N N 46 117.670 117.670 118.120 -0.450 18797 9059 1 15 . 1 1 46 46 THR C C 46 171.910 171.910 173.501 -1.591 18797 9060 1 15 . 1 1 46 46 THR CA C 46 58.720 58.720 59.494 -0.774 18797 9061 1 15 . 1 1 46 46 THR CB C 46 71.710 71.710 71.803 -0.093 18797 9062 1 15 . 1 1 46 46 THR H H 46 8.550 8.550 7.440 1.110 18797 9063 1 15 . 1 1 47 47 GLU N N 47 112.160 112.160 121.461 -9.301 18797 9064 1 15 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.970 -0.390 18797 9065 1 15 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.921 -2.251 18797 9066 1 15 . 1 1 47 47 GLU H H 47 8.170 8.170 8.829 -0.659 18797 9067 1 15 . 1 1 49 49 SER CA C 49 58.210 58.210 57.659 0.551 18797 9068 1 15 . 1 1 49 49 SER CB C 49 64.070 64.070 63.737 0.333 18797 9069 1 15 . 1 1 49 49 SER H H 49 174.130 174.130 8.655 165.475 18797 9070 1 15 . 1 1 50 50 ARG N N 50 124.000 124.000 124.530 -0.530 18797 9071 1 15 . 1 1 50 50 ARG C C 50 176.270 176.270 175.860 0.410 18797 9072 1 15 . 1 1 50 50 ARG CA C 50 55.960 55.960 58.174 -2.214 18797 9073 1 15 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.198 0.782 18797 9074 1 15 . 1 1 50 50 ARG H H 50 8.600 8.600 8.576 0.024 18797 9075 1 15 . 1 1 51 51 THR N N 51 115.720 115.720 112.781 2.939 18797 9076 1 15 . 1 1 51 51 THR C C 51 174.400 174.400 173.249 1.151 18797 9077 1 15 . 1 1 51 51 THR CA C 51 61.820 61.820 61.501 0.319 18797 9078 1 15 . 1 1 51 51 THR H H 51 8.240 8.240 7.584 0.656 18797 9079 1 15 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.214 -0.214 18797 9080 1 15 . 1 1 52 52 ALA CB C 52 18.800 18.800 18.005 0.795 18797 9081 1 15 . 1 1 52 52 ALA H H 52 175.230 175.230 8.499 166.730 18797 9082 1 15 . 1 1 53 53 SER N N 53 113.990 113.990 118.618 -4.628 18797 9083 1 15 . 1 1 53 53 SER C C 53 175.360 175.360 175.233 0.127 18797 9084 1 15 . 1 1 53 53 SER CA C 53 58.350 58.350 57.180 1.170 18797 9085 1 15 . 1 1 53 53 SER CB C 53 62.930 62.930 65.305 -2.375 18797 9086 1 15 . 1 1 53 53 SER H H 53 8.000 8.000 8.095 -0.095 18797 9087 1 15 . 1 1 54 54 SER N N 54 113.510 113.510 117.657 -4.147 18797 9088 1 15 . 1 1 54 54 SER C C 54 173.880 173.880 175.917 -2.037 18797 9089 1 15 . 1 1 54 54 SER CA C 54 58.500 58.500 60.472 -1.972 18797 9090 1 15 . 1 1 54 54 SER CB C 54 62.960 62.960 63.115 -0.155 18797 9091 1 15 . 1 1 54 54 SER H H 54 8.050 8.050 8.793 -0.743 18797 9092 1 15 . 1 1 55 55 GLY N N 55 112.640 112.640 107.217 5.423 18797 9093 1 15 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.920 -0.720 18797 9094 1 15 . 1 1 55 55 GLY H H 55 8.140 8.140 7.901 0.239 18797 9095 1 15 . 1 1 56 56 ASP CA C 56 54.100 54.100 54.774 -0.674 18797 9096 1 15 . 1 1 56 56 ASP CB C 56 41.000 41.000 38.210 2.790 18797 9097 1 15 . 1 1 56 56 ASP H H 56 175.600 175.600 7.778 167.822 18797 9098 1 15 . 1 1 57 57 TYR N N 57 121.140 121.140 120.423 0.717 18797 9099 1 15 . 1 1 57 57 TYR CA C 57 57.280 57.280 60.591 -3.311 18797 9100 1 15 . 1 1 57 57 TYR CB C 57 38.400 38.400 39.334 -0.933 18797 9101 1 15 . 1 1 57 57 TYR H H 57 8.150 8.150 8.411 -0.261 18797 9102 1 15 . 1 1 59 59 LYS CA C 59 55.410 55.410 57.552 -2.142 18797 9103 1 15 . 1 1 59 59 LYS CB C 59 34.220 34.220 30.433 3.787 18797 9104 1 15 . 1 1 60 60 ASN N N 60 122.740 122.740 115.597 7.143 18797 9105 1 15 . 1 1 60 60 ASN C C 60 175.260 175.260 172.781 2.479 18797 9106 1 15 . 1 1 60 60 ASN CA C 60 52.200 52.200 52.951 -0.751 18797 9107 1 15 . 1 1 60 60 ASN CB C 60 40.230 40.230 40.432 -0.202 18797 9108 1 15 . 1 1 60 60 ASN H H 60 8.360 8.360 7.711 0.649 18797 9109 1 15 . 1 1 61 61 GLN N N 61 120.450 120.450 124.126 -3.676 18797 9110 1 15 . 1 1 61 61 GLN C C 61 172.500 172.500 173.517 -1.017 18797 9111 1 15 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.022 0.719 18797 9112 1 15 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.061 1.779 18797 9113 1 15 . 1 1 61 61 GLN H H 61 8.530 8.530 8.202 0.328 18797 9114 1 15 . 1 1 62 62 TYR N N 62 123.620 123.620 122.488 1.132 18797 9115 1 15 . 1 1 62 62 TYR C C 62 171.430 171.430 173.363 -1.933 18797 9116 1 15 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.092 0.748 18797 9117 1 15 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.503 -2.573 18797 9118 1 15 . 1 1 62 62 TYR H H 62 8.610 8.610 7.694 0.916 18797 9119 1 15 . 1 1 63 63 TYR N N 63 123.920 123.920 123.608 0.312 18797 9120 1 15 . 1 1 63 63 TYR C C 63 174.280 174.280 174.632 -0.352 18797 9121 1 15 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.383 -0.803 18797 9122 1 15 . 1 1 63 63 TYR CB C 63 41.320 41.320 41.693 -0.373 18797 9123 1 15 . 1 1 63 63 TYR H H 63 8.400 8.400 8.140 0.260 18797 9124 1 15 . 1 1 64 64 GLY N N 64 107.510 107.510 109.621 -2.111 18797 9125 1 15 . 1 1 64 64 GLY C C 64 174.090 174.090 171.994 2.096 18797 9126 1 15 . 1 1 64 64 GLY CA C 64 44.570 44.570 44.041 0.529 18797 9127 1 15 . 1 1 64 64 GLY H H 64 8.760 8.760 8.229 0.531 18797 9128 1 15 . 1 1 65 65 ILE N N 65 128.470 128.470 126.411 2.059 18797 9129 1 15 . 1 1 65 65 ILE C C 65 174.350 174.350 174.968 -0.618 18797 9130 1 15 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.935 0.025 18797 9131 1 15 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.550 -0.810 18797 9132 1 15 . 1 1 65 65 ILE H H 65 8.900 8.900 8.208 0.692 18797 9133 1 15 . 1 1 66 66 THR N N 66 115.890 115.890 119.280 -3.390 18797 9134 1 15 . 1 1 66 66 THR C C 66 172.600 172.600 173.218 -0.618 18797 9135 1 15 . 1 1 66 66 THR CA C 66 58.670 58.670 59.242 -0.573 18797 9136 1 15 . 1 1 66 66 THR CB C 66 73.100 73.100 71.646 1.454 18797 9137 1 15 . 1 1 66 66 THR H H 66 8.900 8.900 8.620 0.280 18797 9138 1 15 . 1 1 67 67 ALA N N 67 119.730 119.730 123.448 -3.718 18797 9139 1 15 . 1 1 67 67 ALA C C 67 176.670 176.670 175.496 1.174 18797 9140 1 15 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.815 0.685 18797 9141 1 15 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.535 -0.475 18797 9142 1 15 . 1 1 67 67 ALA H H 67 9.370 9.370 8.512 0.858 18797 9143 1 15 . 1 1 68 68 GLY N N 68 104.240 104.240 106.837 -2.597 18797 9144 1 15 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.670 1.250 18797 9145 1 15 . 1 1 68 68 GLY H H 68 8.900 8.900 8.147 0.753 18797 9146 1 15 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.216 -0.176 18797 9147 1 15 . 1 1 69 69 PRO CB C 69 32.690 32.690 33.030 -0.340 18797 9148 1 15 . 1 1 70 70 ALA N N 70 120.220 120.220 127.448 -7.228 18797 9149 1 15 . 1 1 70 70 ALA C C 70 175.590 175.590 175.848 -0.258 18797 9150 1 15 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.203 -1.713 18797 9151 1 15 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.841 0.139 18797 9152 1 15 . 1 1 70 70 ALA H H 70 7.870 7.870 8.798 -0.928 18797 9153 1 15 . 1 1 71 71 TYR N N 71 126.080 126.080 124.591 1.489 18797 9154 1 15 . 1 1 71 71 TYR C C 71 174.090 174.090 174.430 -0.340 18797 9155 1 15 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.266 -1.146 18797 9156 1 15 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.714 -0.794 18797 9157 1 15 . 1 1 71 71 TYR H H 71 9.780 9.780 9.016 0.764 18797 9158 1 15 . 1 1 72 72 ARG N N 72 131.410 131.410 126.515 4.895 18797 9159 1 15 . 1 1 72 72 ARG C C 72 174.160 174.160 174.717 -0.557 18797 9160 1 15 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.948 1.072 18797 9161 1 15 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.829 -1.209 18797 9162 1 15 . 1 1 72 72 ARG H H 72 8.770 8.770 7.973 0.797 18797 9163 1 15 . 1 1 73 73 ILE N N 73 129.550 129.550 125.304 4.246 18797 9164 1 15 . 1 1 73 73 ILE C C 73 175.730 175.730 176.457 -0.727 18797 9165 1 15 . 1 1 73 73 ILE CA C 73 62.950 62.950 58.583 4.367 18797 9166 1 15 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.186 0.324 18797 9167 1 15 . 1 1 73 73 ILE H H 73 8.400 8.400 7.899 0.501 18797 9168 1 15 . 1 1 74 74 ASN N N 74 114.870 114.870 125.444 -10.574 18797 9169 1 15 . 1 1 74 74 ASN C C 74 174.860 174.860 175.214 -0.354 18797 9170 1 15 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.205 -3.375 18797 9171 1 15 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.782 -1.942 18797 9172 1 15 . 1 1 74 74 ASN H H 74 7.920 7.920 8.669 -0.749 18797 9173 1 15 . 1 1 75 75 ASP N N 75 113.980 113.980 118.927 -4.947 18797 9174 1 15 . 1 1 75 75 ASP C C 75 175.820 175.820 177.159 -1.339 18797 9175 1 15 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.755 3.165 18797 9176 1 15 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.406 -1.176 18797 9177 1 15 . 1 1 75 75 ASP H H 75 8.320 8.320 7.816 0.504 18797 9178 1 15 . 1 1 76 76 TRP N N 76 113.600 113.600 120.305 -6.705 18797 9179 1 15 . 1 1 76 76 TRP C C 76 176.310 176.310 175.211 1.099 18797 9180 1 15 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.911 -1.501 18797 9181 1 15 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.354 2.806 18797 9182 1 15 . 1 1 76 76 TRP H H 76 7.970 7.970 8.368 -0.398 18797 9183 1 15 . 1 1 77 77 ALA N N 77 125.520 125.520 121.228 4.292 18797 9184 1 15 . 1 1 77 77 ALA C C 77 175.620 175.620 177.031 -1.411 18797 9185 1 15 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.030 1.040 18797 9186 1 15 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.704 1.436 18797 9187 1 15 . 1 1 77 77 ALA H H 77 7.740 7.740 7.399 0.341 18797 9188 1 15 . 1 1 78 78 SER N N 78 114.140 114.140 115.928 -1.788 18797 9189 1 15 . 1 1 78 78 SER C C 78 170.060 170.060 173.347 -3.287 18797 9190 1 15 . 1 1 78 78 SER CA C 78 57.250 57.250 59.931 -2.681 18797 9191 1 15 . 1 1 78 78 SER CB C 78 65.320 65.320 64.210 1.110 18797 9192 1 15 . 1 1 78 78 SER H H 78 8.100 8.100 7.390 0.710 18797 9193 1 15 . 1 1 79 79 ILE N N 79 120.650 120.650 123.709 -3.059 18797 9194 1 15 . 1 1 79 79 ILE C C 79 172.470 172.470 173.779 -1.309 18797 9195 1 15 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.305 -0.855 18797 9196 1 15 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.977 0.123 18797 9197 1 15 . 1 1 79 79 ILE H H 79 8.960 8.960 8.144 0.816 18797 9198 1 15 . 1 1 80 80 TYR N N 80 120.580 120.580 126.153 -5.573 18797 9199 1 15 . 1 1 80 80 TYR C C 80 173.000 173.000 173.656 -0.656 18797 9200 1 15 . 1 1 80 80 TYR CA C 80 55.980 55.980 54.980 1.000 18797 9201 1 15 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.306 -0.276 18797 9202 1 15 . 1 1 80 80 TYR H H 80 8.360 8.360 8.228 0.132 18797 9203 1 15 . 1 1 81 81 GLY N N 81 106.140 106.140 108.716 -2.576 18797 9204 1 15 . 1 1 81 81 GLY C C 81 170.920 170.920 172.474 -1.554 18797 9205 1 15 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.797 0.203 18797 9206 1 15 . 1 1 81 81 GLY H H 81 8.050 8.050 8.259 -0.209 18797 9207 1 15 . 1 1 82 82 VAL N N 82 111.380 111.380 118.655 -7.275 18797 9208 1 15 . 1 1 82 82 VAL C C 82 174.370 174.370 173.555 0.815 18797 9209 1 15 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.140 -0.960 18797 9210 1 15 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.312 0.128 18797 9211 1 15 . 1 1 82 82 VAL H H 82 8.490 8.490 8.384 0.106 18797 9212 1 15 . 1 1 83 83 VAL N N 83 113.660 113.660 120.197 -6.537 18797 9213 1 15 . 1 1 83 83 VAL C C 83 174.680 174.680 175.134 -0.454 18797 9214 1 15 . 1 1 83 83 VAL CA C 83 59.090 59.090 60.224 -1.134 18797 9215 1 15 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.021 0.999 18797 9216 1 15 . 1 1 83 83 VAL H H 83 8.970 8.970 8.330 0.640 18797 9217 1 15 . 1 1 84 84 GLY N N 84 108.310 108.310 112.439 -4.129 18797 9218 1 15 . 1 1 84 84 GLY C C 84 171.440 171.440 172.214 -0.774 18797 9219 1 15 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.436 2.334 18797 9220 1 15 . 1 1 84 84 GLY H H 84 8.480 8.480 8.734 -0.254 18797 9221 1 15 . 1 1 85 85 VAL N N 85 122.520 122.520 119.428 3.092 18797 9222 1 15 . 1 1 85 85 VAL C C 85 172.560 172.560 175.126 -2.566 18797 9223 1 15 . 1 1 85 85 VAL CA C 85 59.170 59.170 59.846 -0.677 18797 9224 1 15 . 1 1 85 85 VAL CB C 85 35.810 35.810 33.936 1.874 18797 9225 1 15 . 1 1 85 85 VAL H H 85 8.920 8.920 8.167 0.753 18797 9226 1 15 . 1 1 86 86 GLY N N 86 113.360 113.360 114.415 -1.055 18797 9227 1 15 . 1 1 86 86 GLY C C 86 172.210 172.210 171.379 0.831 18797 9228 1 15 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.482 -0.202 18797 9229 1 15 . 1 1 86 86 GLY H H 86 8.880 8.880 8.728 0.152 18797 9230 1 15 . 1 1 87 87 TYR N N 87 123.830 123.830 125.484 -1.654 18797 9231 1 15 . 1 1 87 87 TYR C C 87 174.030 174.030 173.244 0.786 18797 9232 1 15 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.346 0.584 18797 9233 1 15 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.198 -0.168 18797 9234 1 15 . 1 1 87 87 TYR H H 87 9.310 9.310 8.042 1.268 18797 9235 1 15 . 1 1 88 88 GLY N N 88 112.300 112.300 112.299 0.001 18797 9236 1 15 . 1 1 88 88 GLY C C 88 170.620 170.620 171.083 -0.463 18797 9237 1 15 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.399 1.001 18797 9238 1 15 . 1 1 88 88 GLY H H 88 8.000 8.000 7.784 0.216 18797 9239 1 15 . 1 1 89 89 LYS N N 89 122.410 122.410 123.452 -1.042 18797 9240 1 15 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.203 0.277 18797 9241 1 15 . 1 1 89 89 LYS H H 89 8.230 8.230 8.090 0.140 18797 9242 1 15 . 1 1 90 90 PHE C C 90 175.190 175.190 175.430 -0.240 18797 9243 1 15 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.982 -1.952 18797 9244 1 15 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.101 -0.591 18797 9245 1 15 . 1 1 91 91 GLN N N 91 122.380 122.380 120.819 1.561 18797 9246 1 15 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.507 0.823 18797 9247 1 15 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.551 -1.851 18797 9248 1 15 . 1 1 91 91 GLN H H 91 8.370 8.370 8.484 -0.114 18797 9249 1 15 . 1 1 94 94 GLU N N 94 175.780 175.780 118.853 56.927 18797 9250 1 15 . 1 1 94 94 GLU CA C 94 57.030 57.030 55.665 1.365 18797 9251 1 15 . 1 1 94 94 GLU CB C 94 29.460 29.460 30.268 -0.808 18797 9252 1 15 . 1 1 95 95 TYR N N 95 120.240 120.240 119.446 0.794 18797 9253 1 15 . 1 1 95 95 TYR CA C 95 55.290 55.290 57.787 -2.497 18797 9254 1 15 . 1 1 95 95 TYR CB C 95 37.730 37.730 38.021 -0.291 18797 9255 1 15 . 1 1 95 95 TYR H H 95 7.830 7.830 8.575 -0.745 18797 9256 1 15 . 1 1 97 97 THR CA C 97 62.210 62.210 59.981 2.228 18797 9257 1 15 . 1 1 97 97 THR H H 97 174.320 174.320 7.908 166.412 18797 9258 1 15 . 1 1 98 98 TYR N N 98 122.540 122.540 120.284 2.256 18797 9259 1 15 . 1 1 98 98 TYR C C 98 175.000 175.000 176.625 -1.625 18797 9260 1 15 . 1 1 98 98 TYR CA C 98 57.530 57.530 60.187 -2.657 18797 9261 1 15 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.815 -0.465 18797 9262 1 15 . 1 1 98 98 TYR H H 98 8.040 8.040 8.539 -0.499 18797 9263 1 15 . 1 1 101 101 ASP CA C 101 54.020 54.020 54.503 -0.483 18797 9264 1 15 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.017 -1.317 18797 9265 1 15 . 1 1 101 101 ASP H H 101 176.040 176.040 7.939 168.101 18797 9266 1 15 . 1 1 102 102 THR N N 102 117.650 117.650 115.108 2.542 18797 9267 1 15 . 1 1 102 102 THR C C 102 173.840 173.840 173.247 0.593 18797 9268 1 15 . 1 1 102 102 THR CA C 102 61.590 61.590 60.128 1.462 18797 9269 1 15 . 1 1 102 102 THR CB C 102 69.970 69.970 71.595 -1.625 18797 9270 1 15 . 1 1 102 102 THR H H 102 8.520 8.520 8.035 0.485 18797 9271 1 15 . 1 1 103 103 SER N N 103 119.470 119.470 116.482 2.988 18797 9272 1 15 . 1 1 103 103 SER C C 103 173.580 173.580 173.066 0.514 18797 9273 1 15 . 1 1 103 103 SER CA C 103 57.310 57.310 56.723 0.587 18797 9274 1 15 . 1 1 103 103 SER H H 103 8.240 8.240 8.469 -0.229 18797 9275 1 15 . 1 1 104 104 ASP N N 104 122.250 122.250 120.909 1.341 18797 9276 1 15 . 1 1 104 104 ASP C C 104 173.100 173.100 173.824 -0.724 18797 9277 1 15 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.897 -0.297 18797 9278 1 15 . 1 1 104 104 ASP CB C 104 44.060 44.060 44.874 -0.814 18797 9279 1 15 . 1 1 104 104 ASP H H 104 8.270 8.270 7.663 0.607 18797 9280 1 15 . 1 1 105 105 TYR N N 105 116.040 116.040 119.886 -3.846 18797 9281 1 15 . 1 1 105 105 TYR C C 105 175.860 175.860 176.868 -1.008 18797 9282 1 15 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.615 -1.065 18797 9283 1 15 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.227 0.403 18797 9284 1 15 . 1 1 105 105 TYR H H 105 8.560 8.560 8.653 -0.093 18797 9285 1 15 . 1 1 106 106 GLY N N 106 108.500 108.500 108.683 -0.183 18797 9286 1 15 . 1 1 106 106 GLY C C 106 172.030 172.030 171.590 0.440 18797 9287 1 15 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.362 0.128 18797 9288 1 15 . 1 1 106 106 GLY H H 106 9.190 9.190 8.644 0.546 18797 9289 1 15 . 1 1 107 107 PHE N N 107 121.420 121.420 119.581 1.839 18797 9290 1 15 . 1 1 107 107 PHE C C 107 175.430 175.430 175.509 -0.079 18797 9291 1 15 . 1 1 107 107 PHE CA C 107 57.540 57.540 57.050 0.490 18797 9292 1 15 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.177 -0.977 18797 9293 1 15 . 1 1 107 107 PHE H H 107 8.860 8.860 8.687 0.173 18797 9294 1 15 . 1 1 108 108 SER N N 108 123.250 123.250 118.901 4.349 18797 9295 1 15 . 1 1 108 108 SER C C 108 171.430 171.430 172.923 -1.493 18797 9296 1 15 . 1 1 108 108 SER CA C 108 56.100 56.100 57.111 -1.011 18797 9297 1 15 . 1 1 108 108 SER CB C 108 65.720 65.720 65.724 -0.004 18797 9298 1 15 . 1 1 108 108 SER H H 108 8.110 8.110 8.811 -0.701 18797 9299 1 15 . 1 1 109 109 TYR N N 109 117.840 117.840 125.550 -7.710 18797 9300 1 15 . 1 1 109 109 TYR C C 109 173.560 173.560 173.679 -0.119 18797 9301 1 15 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.347 -1.027 18797 9302 1 15 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.789 -3.229 18797 9303 1 15 . 1 1 109 109 TYR H H 109 8.480 8.480 8.511 -0.031 18797 9304 1 15 . 1 1 110 110 GLY N N 110 106.400 106.400 111.446 -5.046 18797 9305 1 15 . 1 1 110 110 GLY C C 110 171.350 171.350 170.959 0.391 18797 9306 1 15 . 1 1 110 110 GLY CA C 110 46.160 46.160 43.684 2.476 18797 9307 1 15 . 1 1 110 110 GLY H H 110 8.980 8.980 7.980 1.000 18797 9308 1 15 . 1 1 111 111 ALA N N 111 119.140 119.140 120.749 -1.609 18797 9309 1 15 . 1 1 111 111 ALA C C 111 174.640 174.640 174.704 -0.064 18797 9310 1 15 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.351 0.619 18797 9311 1 15 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.620 -0.470 18797 9312 1 15 . 1 1 111 111 ALA H H 111 8.390 8.390 7.444 0.946 18797 9313 1 15 . 1 1 112 112 GLY N N 112 106.070 106.070 106.648 -0.578 18797 9314 1 15 . 1 1 112 112 GLY C C 112 169.770 169.770 171.808 -2.038 18797 9315 1 15 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.391 0.879 18797 9316 1 15 . 1 1 112 112 GLY H H 112 7.820 7.820 7.476 0.344 18797 9317 1 15 . 1 1 113 113 LEU N N 113 116.370 116.370 119.740 -3.370 18797 9318 1 15 . 1 1 113 113 LEU C C 113 175.090 175.090 175.601 -0.511 18797 9319 1 15 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.261 -0.571 18797 9320 1 15 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.840 0.720 18797 9321 1 15 . 1 1 113 113 LEU H H 113 8.930 8.930 8.477 0.453 18797 9322 1 15 . 1 1 114 114 GLN N N 114 115.860 115.860 120.151 -4.291 18797 9323 1 15 . 1 1 114 114 GLN C C 114 176.910 176.910 174.418 2.492 18797 9324 1 15 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.411 -0.681 18797 9325 1 15 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.771 0.519 18797 9326 1 15 . 1 1 114 114 GLN H H 114 7.860 7.860 8.377 -0.517 18797 9327 1 15 . 1 1 115 115 PHE N N 115 126.580 126.580 124.807 1.773 18797 9328 1 15 . 1 1 115 115 PHE C C 115 175.740 175.740 173.687 2.053 18797 9329 1 15 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.082 -1.882 18797 9330 1 15 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.066 2.304 18797 9331 1 15 . 1 1 115 115 PHE H H 115 9.750 9.750 8.951 0.799 18797 9332 1 15 . 1 1 116 116 ASN N N 116 119.920 119.920 120.781 -0.861 18797 9333 1 15 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.246 0.954 18797 9334 1 15 . 1 1 116 116 ASN CB C 116 40.650 40.650 39.462 1.188 18797 9335 1 15 . 1 1 116 116 ASN H H 116 9.450 9.450 8.450 1.000 18797 9336 1 15 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.824 1.876 18797 9337 1 15 . 1 1 118 118 MET N N 118 110.530 110.530 118.549 -8.019 18797 9338 1 15 . 1 1 118 118 MET C C 118 176.130 176.130 177.316 -1.186 18797 9339 1 15 . 1 1 118 118 MET CA C 118 53.980 53.980 55.505 -1.525 18797 9340 1 15 . 1 1 118 118 MET CB C 118 36.310 36.310 31.669 4.641 18797 9341 1 15 . 1 1 118 118 MET H H 118 7.310 7.310 8.284 -0.974 18797 9342 1 15 . 1 1 119 119 GLU N N 119 120.320 120.320 119.790 0.530 18797 9343 1 15 . 1 1 119 119 GLU C C 119 176.810 176.810 177.393 -0.583 18797 9344 1 15 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.427 2.173 18797 9345 1 15 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.440 -0.290 18797 9346 1 15 . 1 1 119 119 GLU H H 119 9.120 9.120 8.840 0.280 18797 9347 1 15 . 1 1 120 120 ASN N N 120 112.490 112.490 119.103 -6.613 18797 9348 1 15 . 1 1 120 120 ASN C C 120 174.080 174.080 175.658 -1.578 18797 9349 1 15 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.069 -1.669 18797 9350 1 15 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.380 0.450 18797 9351 1 15 . 1 1 120 120 ASN H H 120 8.430 8.430 8.682 -0.252 18797 9352 1 15 . 1 1 121 121 VAL N N 121 117.760 117.760 113.978 3.782 18797 9353 1 15 . 1 1 121 121 VAL C C 121 174.750 174.750 175.424 -0.674 18797 9354 1 15 . 1 1 121 121 VAL CA C 121 60.690 60.690 61.524 -0.834 18797 9355 1 15 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.882 5.018 18797 9356 1 15 . 1 1 121 121 VAL H H 121 7.500 7.500 7.413 0.087 18797 9357 1 15 . 1 1 122 122 ALA N N 122 127.190 127.190 123.430 3.760 18797 9358 1 15 . 1 1 122 122 ALA C C 122 175.140 175.140 175.106 0.034 18797 9359 1 15 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.691 -1.301 18797 9360 1 15 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.683 1.137 18797 9361 1 15 . 1 1 122 122 ALA H H 122 8.230 8.230 7.283 0.947 18797 9362 1 15 . 1 1 123 123 LEU N N 123 120.270 120.270 125.271 -5.001 18797 9363 1 15 . 1 1 123 123 LEU C C 123 174.310 174.310 174.705 -0.395 18797 9364 1 15 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.393 0.267 18797 9365 1 15 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.806 -2.296 18797 9366 1 15 . 1 1 123 123 LEU H H 123 8.910 8.910 8.533 0.377 18797 9367 1 15 . 1 1 124 124 ASP N N 124 127.350 127.350 123.194 4.156 18797 9368 1 15 . 1 1 124 124 ASP C C 124 171.830 171.830 174.502 -2.672 18797 9369 1 15 . 1 1 124 124 ASP CA C 124 53.820 53.820 51.812 2.008 18797 9370 1 15 . 1 1 124 124 ASP CB C 124 47.490 47.490 43.887 3.603 18797 9371 1 15 . 1 1 124 124 ASP H H 124 8.580 8.580 8.705 -0.125 18797 9372 1 15 . 1 1 125 125 PHE N N 125 123.390 123.390 122.106 1.284 18797 9373 1 15 . 1 1 125 125 PHE C C 125 174.130 174.130 173.673 0.457 18797 9374 1 15 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.638 -0.978 18797 9375 1 15 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.218 -0.518 18797 9376 1 15 . 1 1 125 125 PHE H H 125 8.670 8.670 8.473 0.197 18797 9377 1 15 . 1 1 126 126 SER N N 126 118.680 118.680 121.455 -2.775 18797 9378 1 15 . 1 1 126 126 SER C C 126 169.980 169.980 172.111 -2.131 18797 9379 1 15 . 1 1 126 126 SER CA C 126 58.120 58.120 56.040 2.080 18797 9380 1 15 . 1 1 126 126 SER CB C 126 66.950 66.950 65.893 1.057 18797 9381 1 15 . 1 1 126 126 SER H H 126 9.390 9.390 8.102 1.288 18797 9382 1 15 . 1 1 127 127 TYR N N 127 119.080 119.080 120.824 -1.744 18797 9383 1 15 . 1 1 127 127 TYR C C 127 174.390 174.390 173.474 0.916 18797 9384 1 15 . 1 1 127 127 TYR CA C 127 55.440 55.440 54.628 0.812 18797 9385 1 15 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.647 1.454 18797 9386 1 15 . 1 1 127 127 TYR H H 127 8.610 8.610 8.396 0.214 18797 9387 1 15 . 1 1 128 128 GLU N N 128 130.070 130.070 121.998 8.072 18797 9388 1 15 . 1 1 128 128 GLU C C 128 172.590 172.590 174.509 -1.919 18797 9389 1 15 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.394 -0.264 18797 9390 1 15 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.815 -0.315 18797 9391 1 15 . 1 1 128 128 GLU H H 128 8.510 8.510 8.594 -0.084 18797 9392 1 15 . 1 1 129 129 GLN N N 129 128.670 128.670 127.149 1.521 18797 9393 1 15 . 1 1 129 129 GLN C C 129 173.690 173.690 174.719 -1.029 18797 9394 1 15 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.075 -0.865 18797 9395 1 15 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.587 -1.537 18797 9396 1 15 . 1 1 129 129 GLN H H 129 9.330 9.330 8.771 0.559 18797 9397 1 15 . 1 1 130 130 SER N N 130 118.630 118.630 121.736 -3.106 18797 9398 1 15 . 1 1 130 130 SER C C 130 174.210 174.210 173.823 0.387 18797 9399 1 15 . 1 1 130 130 SER CA C 130 56.450 56.450 57.355 -0.905 18797 9400 1 15 . 1 1 130 130 SER CB C 130 66.260 66.260 65.783 0.477 18797 9401 1 15 . 1 1 130 130 SER H H 130 8.580 8.580 8.083 0.497 18797 9402 1 15 . 1 1 131 131 ARG N N 131 126.850 126.850 124.722 2.128 18797 9403 1 15 . 1 1 131 131 ARG C C 131 174.740 174.740 176.019 -1.279 18797 9404 1 15 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.653 -0.313 18797 9405 1 15 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.803 -0.893 18797 9406 1 15 . 1 1 131 131 ARG H H 131 7.690 7.690 8.864 -1.174 18797 9407 1 15 . 1 1 132 132 ILE N N 132 129.470 129.470 126.515 2.955 18797 9408 1 15 . 1 1 132 132 ILE C C 132 175.500 175.500 176.292 -0.792 18797 9409 1 15 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.477 -2.587 18797 9410 1 15 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.327 0.993 18797 9411 1 15 . 1 1 132 132 ILE H H 132 8.730 8.730 8.689 0.041 18797 9412 1 15 . 1 1 133 133 ARG N N 133 127.220 127.220 128.809 -1.589 18797 9413 1 15 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.676 2.433 18797 9414 1 15 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.048 -3.728 18797 9415 1 15 . 1 1 133 133 ARG H H 133 9.400 9.400 8.226 1.174 18797 9416 1 15 . 1 1 134 134 SER C C 134 173.290 173.290 173.513 -0.223 18797 9417 1 15 . 1 1 134 134 SER CA C 134 58.490 58.490 60.044 -1.554 18797 9418 1 15 . 1 1 134 134 SER CB C 134 62.860 62.860 63.125 -0.265 18797 9419 1 15 . 1 1 135 135 VAL N N 135 124.810 124.810 121.242 3.568 18797 9420 1 15 . 1 1 135 135 VAL C C 135 174.650 174.650 174.110 0.540 18797 9421 1 15 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.381 0.489 18797 9422 1 15 . 1 1 135 135 VAL CB C 135 32.060 32.060 33.817 -1.757 18797 9423 1 15 . 1 1 135 135 VAL H H 135 8.270 8.270 7.350 0.920 18797 9424 1 15 . 1 1 136 136 ASP N N 136 127.750 127.750 125.404 2.346 18797 9425 1 15 . 1 1 136 136 ASP C C 136 175.130 175.130 175.265 -0.135 18797 9426 1 15 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.660 1.560 18797 9427 1 15 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.417 -1.667 18797 9428 1 15 . 1 1 136 136 ASP H H 136 8.010 8.010 8.446 -0.436 18797 9429 1 15 . 1 1 137 137 VAL N N 137 124.520 124.520 123.814 0.706 18797 9430 1 15 . 1 1 137 137 VAL C C 137 174.690 174.690 175.188 -0.498 18797 9431 1 15 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.337 -0.887 18797 9432 1 15 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.428 -0.628 18797 9433 1 15 . 1 1 137 137 VAL H H 137 8.720 8.720 7.772 0.948 18797 9434 1 15 . 1 1 138 138 GLY N N 138 116.920 116.920 115.588 1.332 18797 9435 1 15 . 1 1 138 138 GLY C C 138 172.930 172.930 172.648 0.282 18797 9436 1 15 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.077 0.403 18797 9437 1 15 . 1 1 138 138 GLY H H 138 8.240 8.240 8.584 -0.344 18797 9438 1 15 . 1 1 139 139 THR N N 139 125.070 125.070 121.611 3.459 18797 9439 1 15 . 1 1 139 139 THR C C 139 171.920 171.920 172.999 -1.079 18797 9440 1 15 . 1 1 139 139 THR CA C 139 60.890 60.890 60.932 -0.042 18797 9441 1 15 . 1 1 139 139 THR CB C 139 70.290 70.290 71.270 -0.980 18797 9442 1 15 . 1 1 139 139 THR H H 139 8.710 8.710 7.861 0.849 18797 9443 1 15 . 1 1 140 140 TRP N N 140 125.840 125.840 126.037 -0.197 18797 9444 1 15 . 1 1 140 140 TRP C C 140 175.070 175.070 175.313 -0.243 18797 9445 1 15 . 1 1 140 140 TRP CA C 140 55.130 55.130 56.130 -1.000 18797 9446 1 15 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.662 -0.562 18797 9447 1 15 . 1 1 140 140 TRP H H 140 8.330 8.330 8.639 -0.309 18797 9448 1 15 . 1 1 141 141 ILE N N 141 123.240 123.240 115.042 8.198 18797 9449 1 15 . 1 1 141 141 ILE C C 141 174.870 174.870 173.528 1.342 18797 9450 1 15 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.782 1.608 18797 9451 1 15 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.450 -1.820 18797 9452 1 15 . 1 1 141 141 ILE H H 141 8.980 8.980 8.528 0.452 18797 9453 1 15 . 1 1 142 142 ALA N N 142 127.680 127.680 124.686 2.994 18797 9454 1 15 . 1 1 142 142 ALA C C 142 175.700 175.700 175.949 -0.249 18797 9455 1 15 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.668 -0.138 18797 9456 1 15 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.766 -0.556 18797 9457 1 15 . 1 1 142 142 ALA H H 142 8.350 8.350 8.501 -0.151 18797 9458 1 15 . 1 1 143 143 GLY N N 143 109.030 109.030 109.704 -0.674 18797 9459 1 15 . 1 1 143 143 GLY C C 143 172.090 172.090 171.951 0.139 18797 9460 1 15 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.380 1.050 18797 9461 1 15 . 1 1 143 143 GLY H H 143 9.520 9.520 8.538 0.982 18797 9462 1 15 . 1 1 144 144 VAL N N 144 114.110 114.110 115.742 -1.632 18797 9463 1 15 . 1 1 144 144 VAL C C 144 174.010 174.010 174.541 -0.531 18797 9464 1 15 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.283 -0.013 18797 9465 1 15 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.934 0.556 18797 9466 1 15 . 1 1 144 144 VAL H H 144 8.750 8.750 8.550 0.200 18797 9467 1 15 . 1 1 145 145 GLY N N 145 107.360 107.360 110.359 -2.999 18797 9468 1 15 . 1 1 145 145 GLY C C 145 171.210 171.210 171.750 -0.540 18797 9469 1 15 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.776 1.994 18797 9470 1 15 . 1 1 145 145 GLY H H 145 8.590 8.590 8.481 0.109 18797 9471 1 15 . 1 1 146 146 TYR N N 146 121.960 121.960 115.039 6.921 18797 9472 1 15 . 1 1 146 146 TYR C C 146 172.440 172.440 173.345 -0.905 18797 9473 1 15 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.303 -0.053 18797 9474 1 15 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.190 3.080 18797 9475 1 15 . 1 1 146 146 TYR H H 146 8.370 8.370 7.816 0.554 18797 9476 1 15 . 1 1 147 147 ARG N N 147 129.590 129.590 120.400 9.190 18797 9477 1 15 . 1 1 147 147 ARG C C 147 173.850 173.850 175.804 -1.954 18797 9478 1 15 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.181 -0.821 18797 9479 1 15 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.534 -1.114 18797 9480 1 15 . 1 1 147 147 ARG H H 147 7.690 7.690 8.387 -0.697 18797 9481 1 16 . 1 1 2 2 THR N N 2 114.280 114.280 111.512 2.768 18797 9482 1 16 . 1 1 2 2 THR C C 2 173.570 173.570 173.101 0.469 18797 9483 1 16 . 1 1 2 2 THR CA C 2 61.040 61.040 63.054 -2.014 18797 9484 1 16 . 1 1 2 2 THR CB C 2 71.930 71.930 66.951 4.979 18797 9485 1 16 . 1 1 2 2 THR H H 2 8.490 8.490 8.117 0.373 18797 9486 1 16 . 1 1 3 3 SER N N 3 122.430 122.430 113.587 8.843 18797 9487 1 16 . 1 1 3 3 SER C C 3 172.590 172.590 173.211 -0.621 18797 9488 1 16 . 1 1 3 3 SER CA C 3 56.760 56.760 57.130 -0.370 18797 9489 1 16 . 1 1 3 3 SER CB C 3 65.480 65.480 67.184 -1.704 18797 9490 1 16 . 1 1 3 3 SER H H 3 9.000 9.000 7.697 1.303 18797 9491 1 16 . 1 1 4 4 THR N N 4 117.240 117.240 112.277 4.963 18797 9492 1 16 . 1 1 4 4 THR C C 4 174.640 174.640 173.063 1.577 18797 9493 1 16 . 1 1 4 4 THR CA C 4 61.390 61.390 59.901 1.489 18797 9494 1 16 . 1 1 4 4 THR CB C 4 70.680 70.680 71.860 -1.180 18797 9495 1 16 . 1 1 4 4 THR H H 4 8.610 8.610 8.333 0.277 18797 9496 1 16 . 1 1 5 5 VAL N N 5 129.440 129.440 122.582 6.858 18797 9497 1 16 . 1 1 5 5 VAL C C 5 174.770 174.770 174.577 0.193 18797 9498 1 16 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.659 -0.899 18797 9499 1 16 . 1 1 5 5 VAL CB C 5 33.490 33.490 34.335 -0.845 18797 9500 1 16 . 1 1 5 5 VAL H H 5 8.750 8.750 7.721 1.029 18797 9501 1 16 . 1 1 6 6 THR N N 6 116.430 116.430 122.648 -6.218 18797 9502 1 16 . 1 1 6 6 THR C C 6 172.930 172.930 173.338 -0.408 18797 9503 1 16 . 1 1 6 6 THR CA C 6 58.590 58.590 60.985 -2.395 18797 9504 1 16 . 1 1 6 6 THR CB C 6 70.930 70.930 71.957 -1.027 18797 9505 1 16 . 1 1 6 6 THR H H 6 8.890 8.890 7.988 0.902 18797 9506 1 16 . 1 1 7 7 GLY N N 7 105.590 105.590 110.797 -5.207 18797 9507 1 16 . 1 1 7 7 GLY C C 7 172.430 172.430 171.762 0.668 18797 9508 1 16 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.630 0.690 18797 9509 1 16 . 1 1 7 7 GLY H H 7 8.760 8.760 8.279 0.481 18797 9510 1 16 . 1 1 8 8 GLY N N 8 106.530 106.530 109.064 -2.534 18797 9511 1 16 . 1 1 8 8 GLY C C 8 173.030 173.030 171.615 1.415 18797 9512 1 16 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.276 1.654 18797 9513 1 16 . 1 1 8 8 GLY H H 8 9.100 9.100 7.621 1.479 18797 9514 1 16 . 1 1 9 9 TYR N N 9 121.730 121.730 118.604 3.126 18797 9515 1 16 . 1 1 9 9 TYR C C 9 172.390 172.390 174.364 -1.974 18797 9516 1 16 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.238 0.602 18797 9517 1 16 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.393 -1.313 18797 9518 1 16 . 1 1 9 9 TYR H H 9 8.410 8.410 8.263 0.147 18797 9519 1 16 . 1 1 10 10 ALA N N 10 128.460 128.460 123.666 4.794 18797 9520 1 16 . 1 1 10 10 ALA C C 10 174.020 174.020 175.754 -1.734 18797 9521 1 16 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.884 -1.674 18797 9522 1 16 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.839 -0.619 18797 9523 1 16 . 1 1 10 10 ALA H H 10 6.910 6.910 9.067 -2.157 18797 9524 1 16 . 1 1 11 11 GLN N N 11 118.830 118.830 120.825 -1.995 18797 9525 1 16 . 1 1 11 11 GLN C C 11 175.650 175.650 175.170 0.480 18797 9526 1 16 . 1 1 11 11 GLN CA C 11 53.830 53.830 54.325 -0.495 18797 9527 1 16 . 1 1 11 11 GLN CB C 11 32.060 32.060 33.252 -1.192 18797 9528 1 16 . 1 1 11 11 GLN H H 11 8.100 8.100 8.517 -0.417 18797 9529 1 16 . 1 1 12 12 SER N N 12 124.200 124.200 117.509 6.691 18797 9530 1 16 . 1 1 12 12 SER C C 12 172.710 172.710 173.512 -0.802 18797 9531 1 16 . 1 1 12 12 SER CA C 12 57.190 57.190 56.148 1.042 18797 9532 1 16 . 1 1 12 12 SER CB C 12 64.180 64.180 65.631 -1.451 18797 9533 1 16 . 1 1 12 12 SER H H 12 9.160 9.160 8.695 0.465 18797 9534 1 16 . 1 1 13 13 ASP N N 13 124.950 124.950 127.629 -2.679 18797 9535 1 16 . 1 1 13 13 ASP C C 13 174.860 174.860 174.894 -0.034 18797 9536 1 16 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.949 -0.989 18797 9537 1 16 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.819 0.101 18797 9538 1 16 . 1 1 13 13 ASP H H 13 9.070 9.070 8.210 0.860 18797 9539 1 16 . 1 1 14 14 ALA N N 14 128.730 128.730 128.425 0.305 18797 9540 1 16 . 1 1 14 14 ALA C C 14 176.230 176.230 176.884 -0.654 18797 9541 1 16 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.608 -1.798 18797 9542 1 16 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.691 -1.191 18797 9543 1 16 . 1 1 14 14 ALA H H 14 8.560 8.560 8.300 0.260 18797 9544 1 16 . 1 1 15 15 GLN N N 15 122.750 122.750 122.525 0.225 18797 9545 1 16 . 1 1 15 15 GLN C C 15 176.660 176.660 176.298 0.362 18797 9546 1 16 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.311 2.809 18797 9547 1 16 . 1 1 15 15 GLN CB C 15 28.160 28.160 29.819 -1.659 18797 9548 1 16 . 1 1 15 15 GLN H H 15 8.340 8.340 8.422 -0.082 18797 9549 1 16 . 1 1 16 16 GLY N N 16 112.800 112.800 108.418 4.382 18797 9550 1 16 . 1 1 16 16 GLY C C 16 174.400 174.400 174.196 0.204 18797 9551 1 16 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.232 -0.052 18797 9552 1 16 . 1 1 16 16 GLY H H 16 8.650 8.650 8.530 0.120 18797 9553 1 16 . 1 1 17 17 GLN N N 17 119.300 119.300 117.039 2.261 18797 9554 1 16 . 1 1 17 17 GLN C C 17 175.720 175.720 174.839 0.881 18797 9555 1 16 . 1 1 17 17 GLN CA C 17 54.600 54.600 57.356 -2.756 18797 9556 1 16 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.544 5.256 18797 9557 1 16 . 1 1 17 17 GLN H H 17 8.080 8.080 8.611 -0.531 18797 9558 1 16 . 1 1 18 18 MET N N 18 120.170 120.170 115.186 4.984 18797 9559 1 16 . 1 1 18 18 MET C C 18 175.400 175.400 174.646 0.754 18797 9560 1 16 . 1 1 18 18 MET CA C 18 55.980 55.980 54.726 1.254 18797 9561 1 16 . 1 1 18 18 MET CB C 18 35.590 35.590 35.724 -0.134 18797 9562 1 16 . 1 1 18 18 MET H H 18 8.370 8.370 7.485 0.885 18797 9563 1 16 . 1 1 19 19 ASN N N 19 117.900 117.900 119.678 -1.778 18797 9564 1 16 . 1 1 19 19 ASN C C 19 174.400 174.400 175.005 -0.605 18797 9565 1 16 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.446 -0.146 18797 9566 1 16 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.765 -0.365 18797 9567 1 16 . 1 1 19 19 ASN H H 19 7.990 7.990 8.438 -0.448 18797 9568 1 16 . 1 1 20 20 LYS N N 20 120.800 120.800 121.337 -0.537 18797 9569 1 16 . 1 1 20 20 LYS C C 20 176.410 176.410 176.042 0.368 18797 9570 1 16 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.979 -1.279 18797 9571 1 16 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.401 -1.501 18797 9572 1 16 . 1 1 20 20 LYS H H 20 8.340 8.340 8.427 -0.087 18797 9573 1 16 . 1 1 21 21 MET N N 21 120.500 120.500 118.036 2.464 18797 9574 1 16 . 1 1 21 21 MET C C 21 175.270 175.270 175.375 -0.105 18797 9575 1 16 . 1 1 21 21 MET CA C 21 54.800 54.800 53.484 1.316 18797 9576 1 16 . 1 1 21 21 MET CB C 21 34.730 34.730 36.469 -1.740 18797 9577 1 16 . 1 1 21 21 MET H H 21 8.580 8.580 8.041 0.539 18797 9578 1 16 . 1 1 22 22 GLY N N 22 111.280 111.280 107.774 3.506 18797 9579 1 16 . 1 1 22 22 GLY C C 22 174.030 174.030 172.515 1.515 18797 9580 1 16 . 1 1 22 22 GLY CA C 22 43.810 43.810 44.056 -0.246 18797 9581 1 16 . 1 1 22 22 GLY H H 22 8.430 8.430 8.566 -0.136 18797 9582 1 16 . 1 1 23 23 GLY N N 23 120.170 120.170 108.864 11.306 18797 9583 1 16 . 1 1 23 23 GLY C C 23 171.850 171.850 171.830 0.020 18797 9584 1 16 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.076 2.074 18797 9585 1 16 . 1 1 23 23 GLY H H 23 8.180 8.180 8.496 -0.316 18797 9586 1 16 . 1 1 24 24 PHE N N 24 121.370 121.370 123.628 -2.258 18797 9587 1 16 . 1 1 24 24 PHE C C 24 171.570 171.570 173.488 -1.918 18797 9588 1 16 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.304 -1.574 18797 9589 1 16 . 1 1 24 24 PHE CB C 24 43.510 43.510 43.082 0.428 18797 9590 1 16 . 1 1 24 24 PHE H H 24 9.230 9.230 8.462 0.768 18797 9591 1 16 . 1 1 25 25 ASN N N 25 118.950 118.950 124.937 -5.987 18797 9592 1 16 . 1 1 25 25 ASN C C 25 172.080 172.080 173.373 -1.293 18797 9593 1 16 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.586 -0.716 18797 9594 1 16 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.113 4.337 18797 9595 1 16 . 1 1 25 25 ASN H H 25 8.520 8.520 7.647 0.873 18797 9596 1 16 . 1 1 26 26 LEU N N 26 126.150 126.150 124.764 1.386 18797 9597 1 16 . 1 1 26 26 LEU C C 26 175.620 175.620 175.635 -0.015 18797 9598 1 16 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.514 -0.024 18797 9599 1 16 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.289 1.341 18797 9600 1 16 . 1 1 26 26 LEU H H 26 9.340 9.340 8.297 1.043 18797 9601 1 16 . 1 1 27 27 LYS N N 27 117.980 117.980 119.775 -1.795 18797 9602 1 16 . 1 1 27 27 LYS C C 27 175.120 175.120 175.233 -0.113 18797 9603 1 16 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.528 0.662 18797 9604 1 16 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.431 0.139 18797 9605 1 16 . 1 1 27 27 LYS H H 27 8.850 8.850 8.149 0.701 18797 9606 1 16 . 1 1 28 28 TYR N N 28 120.820 120.820 120.779 0.041 18797 9607 1 16 . 1 1 28 28 TYR C C 28 172.480 172.480 174.884 -2.404 18797 9608 1 16 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.394 -0.114 18797 9609 1 16 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.234 -0.334 18797 9610 1 16 . 1 1 28 28 TYR H H 28 8.430 8.430 8.696 -0.266 18797 9611 1 16 . 1 1 29 29 ARG N N 29 129.660 129.660 122.664 6.996 18797 9612 1 16 . 1 1 29 29 ARG C C 29 172.780 172.780 173.868 -1.088 18797 9613 1 16 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.071 -1.071 18797 9614 1 16 . 1 1 29 29 ARG CB C 29 34.010 34.010 35.155 -1.145 18797 9615 1 16 . 1 1 29 29 ARG H H 29 8.670 8.670 8.401 0.269 18797 9616 1 16 . 1 1 30 30 TYR N N 30 127.210 127.210 124.783 2.427 18797 9617 1 16 . 1 1 30 30 TYR C C 30 175.000 175.000 174.182 0.818 18797 9618 1 16 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.852 -0.022 18797 9619 1 16 . 1 1 30 30 TYR CB C 30 42.140 42.140 41.745 0.395 18797 9620 1 16 . 1 1 30 30 TYR H H 30 8.930 8.930 8.157 0.773 18797 9621 1 16 . 1 1 31 31 GLU N N 31 128.090 128.090 125.407 2.683 18797 9622 1 16 . 1 1 31 31 GLU C C 31 174.250 174.250 175.148 -0.898 18797 9623 1 16 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.562 -0.932 18797 9624 1 16 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.920 1.570 18797 9625 1 16 . 1 1 31 31 GLU H H 31 8.170 8.170 7.338 0.832 18797 9626 1 16 . 1 1 32 32 GLU N N 32 122.610 122.610 124.532 -1.922 18797 9627 1 16 . 1 1 32 32 GLU C C 32 176.920 176.920 175.483 1.437 18797 9628 1 16 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.329 -0.759 18797 9629 1 16 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.680 -1.910 18797 9630 1 16 . 1 1 32 32 GLU H H 32 9.120 9.120 8.520 0.600 18797 9631 1 16 . 1 1 33 33 ASP N N 33 121.920 121.920 121.159 0.761 18797 9632 1 16 . 1 1 33 33 ASP C C 33 176.990 176.990 176.360 0.630 18797 9633 1 16 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.962 1.908 18797 9634 1 16 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.671 -1.401 18797 9635 1 16 . 1 1 33 33 ASP H H 33 8.600 8.600 8.420 0.180 18797 9636 1 16 . 1 1 34 34 ASN N N 34 115.300 115.300 117.270 -1.970 18797 9637 1 16 . 1 1 34 34 ASN C C 34 174.280 174.280 175.807 -1.527 18797 9638 1 16 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.176 -1.816 18797 9639 1 16 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.736 -0.786 18797 9640 1 16 . 1 1 34 34 ASN H H 34 8.420 8.420 8.529 -0.109 18797 9641 1 16 . 1 1 35 35 SER N N 35 112.970 112.970 113.484 -0.514 18797 9642 1 16 . 1 1 35 35 SER CA C 35 54.260 54.260 57.922 -3.662 18797 9643 1 16 . 1 1 35 35 SER CB C 35 64.920 64.920 63.641 1.280 18797 9644 1 16 . 1 1 35 35 SER H H 35 7.270 7.270 7.914 -0.644 18797 9645 1 16 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.116 1.244 18797 9646 1 16 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.889 -1.419 18797 9647 1 16 . 1 1 37 37 LEU N N 37 123.000 123.000 121.057 1.943 18797 9648 1 16 . 1 1 37 37 LEU C C 37 176.300 176.300 177.317 -1.017 18797 9649 1 16 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.474 -0.634 18797 9650 1 16 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.755 0.935 18797 9651 1 16 . 1 1 37 37 LEU H H 37 7.910 7.910 8.289 -0.379 18797 9652 1 16 . 1 1 38 38 GLY N N 38 117.320 117.320 107.618 9.702 18797 9653 1 16 . 1 1 38 38 GLY C C 38 172.340 172.340 172.363 -0.023 18797 9654 1 16 . 1 1 38 38 GLY CA C 38 44.430 44.430 43.939 0.491 18797 9655 1 16 . 1 1 38 38 GLY H H 38 9.110 9.110 7.984 1.126 18797 9656 1 16 . 1 1 39 39 VAL N N 39 116.550 116.550 125.583 -9.033 18797 9657 1 16 . 1 1 39 39 VAL C C 39 171.720 171.720 173.933 -2.213 18797 9658 1 16 . 1 1 39 39 VAL CA C 39 59.000 59.000 60.093 -1.093 18797 9659 1 16 . 1 1 39 39 VAL CB C 39 35.610 35.610 33.688 1.922 18797 9660 1 16 . 1 1 39 39 VAL H H 39 7.980 7.980 8.348 -0.368 18797 9661 1 16 . 1 1 40 40 ILE N N 40 125.640 125.640 129.618 -3.978 18797 9662 1 16 . 1 1 40 40 ILE C C 40 171.600 171.600 173.670 -2.070 18797 9663 1 16 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.412 0.128 18797 9664 1 16 . 1 1 40 40 ILE CB C 40 44.130 44.130 42.045 2.085 18797 9665 1 16 . 1 1 40 40 ILE H H 40 9.160 9.160 8.386 0.774 18797 9666 1 16 . 1 1 41 41 GLY N N 41 111.830 111.830 113.967 -2.137 18797 9667 1 16 . 1 1 41 41 GLY C C 41 172.000 172.000 171.757 0.243 18797 9668 1 16 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.001 -0.851 18797 9669 1 16 . 1 1 41 41 GLY H H 41 8.930 8.930 8.422 0.508 18797 9670 1 16 . 1 1 42 42 SER N N 42 116.940 116.940 116.873 0.067 18797 9671 1 16 . 1 1 42 42 SER C C 42 172.100 172.100 172.844 -0.744 18797 9672 1 16 . 1 1 42 42 SER CA C 42 56.220 56.220 56.160 0.060 18797 9673 1 16 . 1 1 42 42 SER CB C 42 62.920 62.920 66.637 -3.717 18797 9674 1 16 . 1 1 42 42 SER H H 42 9.190 9.190 8.227 0.963 18797 9675 1 16 . 1 1 43 43 PHE N N 43 129.230 129.230 120.036 9.194 18797 9676 1 16 . 1 1 43 43 PHE C C 43 172.920 172.920 175.453 -2.533 18797 9677 1 16 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.219 -0.259 18797 9678 1 16 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.661 -0.231 18797 9679 1 16 . 1 1 43 43 PHE H H 43 9.300 9.300 8.517 0.783 18797 9680 1 16 . 1 1 44 44 THR N N 44 126.530 126.530 118.273 8.257 18797 9681 1 16 . 1 1 44 44 THR C C 44 171.340 171.340 173.277 -1.937 18797 9682 1 16 . 1 1 44 44 THR CA C 44 60.410 60.410 61.108 -0.698 18797 9683 1 16 . 1 1 44 44 THR CB C 44 70.220 70.220 71.431 -1.211 18797 9684 1 16 . 1 1 44 44 THR H H 44 8.820 8.820 8.308 0.512 18797 9685 1 16 . 1 1 45 45 TYR N N 45 125.840 125.840 125.030 0.810 18797 9686 1 16 . 1 1 45 45 TYR C C 45 174.000 174.000 176.038 -2.038 18797 9687 1 16 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.241 -0.571 18797 9688 1 16 . 1 1 45 45 TYR CB C 45 41.000 41.000 41.791 -0.791 18797 9689 1 16 . 1 1 45 45 TYR H H 45 8.210 8.210 8.746 -0.536 18797 9690 1 16 . 1 1 46 46 THR N N 46 117.670 117.670 119.950 -2.280 18797 9691 1 16 . 1 1 46 46 THR C C 46 171.910 171.910 174.125 -2.215 18797 9692 1 16 . 1 1 46 46 THR CA C 46 58.720 58.720 61.713 -2.993 18797 9693 1 16 . 1 1 46 46 THR CB C 46 71.710 71.710 70.359 1.351 18797 9694 1 16 . 1 1 46 46 THR H H 46 8.550 8.550 8.533 0.017 18797 9695 1 16 . 1 1 47 47 GLU N N 47 112.160 112.160 125.921 -13.761 18797 9696 1 16 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.794 -0.213 18797 9697 1 16 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.134 -1.464 18797 9698 1 16 . 1 1 47 47 GLU H H 47 8.170 8.170 9.069 -0.899 18797 9699 1 16 . 1 1 49 49 SER CA C 49 58.210 58.210 58.644 -0.434 18797 9700 1 16 . 1 1 49 49 SER CB C 49 64.070 64.070 63.418 0.652 18797 9701 1 16 . 1 1 49 49 SER H H 49 174.130 174.130 8.691 165.439 18797 9702 1 16 . 1 1 50 50 ARG N N 50 124.000 124.000 119.012 4.988 18797 9703 1 16 . 1 1 50 50 ARG C C 50 176.270 176.270 174.818 1.452 18797 9704 1 16 . 1 1 50 50 ARG CA C 50 55.960 55.960 56.718 -0.758 18797 9705 1 16 . 1 1 50 50 ARG CB C 50 30.980 30.980 28.688 2.292 18797 9706 1 16 . 1 1 50 50 ARG H H 50 8.600 8.600 8.214 0.386 18797 9707 1 16 . 1 1 51 51 THR N N 51 115.720 115.720 114.020 1.700 18797 9708 1 16 . 1 1 51 51 THR C C 51 174.400 174.400 174.129 0.271 18797 9709 1 16 . 1 1 51 51 THR CA C 51 61.820 61.820 59.609 2.211 18797 9710 1 16 . 1 1 51 51 THR H H 51 8.240 8.240 7.900 0.340 18797 9711 1 16 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.893 -0.893 18797 9712 1 16 . 1 1 52 52 ALA CB C 52 18.800 18.800 17.807 0.993 18797 9713 1 16 . 1 1 52 52 ALA H H 52 175.230 175.230 8.517 166.713 18797 9714 1 16 . 1 1 53 53 SER N N 53 113.990 113.990 117.666 -3.676 18797 9715 1 16 . 1 1 53 53 SER C C 53 175.360 175.360 175.003 0.357 18797 9716 1 16 . 1 1 53 53 SER CA C 53 58.350 58.350 57.457 0.893 18797 9717 1 16 . 1 1 53 53 SER CB C 53 62.930 62.930 63.561 -0.631 18797 9718 1 16 . 1 1 53 53 SER H H 53 8.000 8.000 7.967 0.033 18797 9719 1 16 . 1 1 54 54 SER N N 54 113.510 113.510 116.706 -3.196 18797 9720 1 16 . 1 1 54 54 SER C C 54 173.880 173.880 175.757 -1.877 18797 9721 1 16 . 1 1 54 54 SER CA C 54 58.500 58.500 59.930 -1.430 18797 9722 1 16 . 1 1 54 54 SER CB C 54 62.960 62.960 63.132 -0.172 18797 9723 1 16 . 1 1 54 54 SER H H 54 8.050 8.050 8.599 -0.549 18797 9724 1 16 . 1 1 55 55 GLY N N 55 112.640 112.640 108.347 4.293 18797 9725 1 16 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.300 -0.100 18797 9726 1 16 . 1 1 55 55 GLY H H 55 8.140 8.140 8.096 0.044 18797 9727 1 16 . 1 1 56 56 ASP CA C 56 54.100 54.100 55.958 -1.858 18797 9728 1 16 . 1 1 56 56 ASP CB C 56 41.000 41.000 40.347 0.653 18797 9729 1 16 . 1 1 56 56 ASP H H 56 175.600 175.600 7.761 167.839 18797 9730 1 16 . 1 1 57 57 TYR N N 57 121.140 121.140 119.446 1.694 18797 9731 1 16 . 1 1 57 57 TYR CA C 57 57.280 57.280 57.056 0.224 18797 9732 1 16 . 1 1 57 57 TYR CB C 57 38.400 38.400 39.953 -1.553 18797 9733 1 16 . 1 1 57 57 TYR H H 57 8.150 8.150 7.657 0.493 18797 9734 1 16 . 1 1 59 59 LYS CA C 59 55.410 55.410 54.532 0.878 18797 9735 1 16 . 1 1 59 59 LYS CB C 59 34.220 34.220 34.320 -0.100 18797 9736 1 16 . 1 1 60 60 ASN N N 60 122.740 122.740 119.146 3.594 18797 9737 1 16 . 1 1 60 60 ASN C C 60 175.260 175.260 175.236 0.024 18797 9738 1 16 . 1 1 60 60 ASN CA C 60 52.200 52.200 53.995 -1.794 18797 9739 1 16 . 1 1 60 60 ASN CB C 60 40.230 40.230 38.690 1.540 18797 9740 1 16 . 1 1 60 60 ASN H H 60 8.360 8.360 8.456 -0.096 18797 9741 1 16 . 1 1 61 61 GLN N N 61 120.450 120.450 123.679 -3.229 18797 9742 1 16 . 1 1 61 61 GLN C C 61 172.500 172.500 174.234 -1.734 18797 9743 1 16 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.543 0.197 18797 9744 1 16 . 1 1 61 61 GLN CB C 61 34.840 34.840 32.858 1.982 18797 9745 1 16 . 1 1 61 61 GLN H H 61 8.530 8.530 8.032 0.498 18797 9746 1 16 . 1 1 62 62 TYR N N 62 123.620 123.620 119.167 4.453 18797 9747 1 16 . 1 1 62 62 TYR C C 62 171.430 171.430 175.182 -3.752 18797 9748 1 16 . 1 1 62 62 TYR CA C 62 56.840 56.840 56.319 0.521 18797 9749 1 16 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.522 -1.592 18797 9750 1 16 . 1 1 62 62 TYR H H 62 8.610 8.610 8.611 -0.001 18797 9751 1 16 . 1 1 63 63 TYR N N 63 123.920 123.920 124.306 -0.386 18797 9752 1 16 . 1 1 63 63 TYR C C 63 174.280 174.280 174.096 0.184 18797 9753 1 16 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.890 -1.310 18797 9754 1 16 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.388 -1.068 18797 9755 1 16 . 1 1 63 63 TYR H H 63 8.400 8.400 9.035 -0.635 18797 9756 1 16 . 1 1 64 64 GLY N N 64 107.510 107.510 114.817 -7.307 18797 9757 1 16 . 1 1 64 64 GLY C C 64 174.090 174.090 171.249 2.841 18797 9758 1 16 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.445 1.125 18797 9759 1 16 . 1 1 64 64 GLY H H 64 8.760 8.760 8.189 0.571 18797 9760 1 16 . 1 1 65 65 ILE N N 65 128.470 128.470 124.706 3.764 18797 9761 1 16 . 1 1 65 65 ILE C C 65 174.350 174.350 173.840 0.510 18797 9762 1 16 . 1 1 65 65 ILE CA C 65 59.960 59.960 58.877 1.083 18797 9763 1 16 . 1 1 65 65 ILE CB C 65 39.740 39.740 41.081 -1.341 18797 9764 1 16 . 1 1 65 65 ILE H H 65 8.900 8.900 8.188 0.712 18797 9765 1 16 . 1 1 66 66 THR N N 66 115.890 115.890 119.536 -3.646 18797 9766 1 16 . 1 1 66 66 THR C C 66 172.600 172.600 172.726 -0.126 18797 9767 1 16 . 1 1 66 66 THR CA C 66 58.670 58.670 59.476 -0.806 18797 9768 1 16 . 1 1 66 66 THR CB C 66 73.100 73.100 71.775 1.325 18797 9769 1 16 . 1 1 66 66 THR H H 66 8.900 8.900 8.158 0.742 18797 9770 1 16 . 1 1 67 67 ALA N N 67 119.730 119.730 122.818 -3.088 18797 9771 1 16 . 1 1 67 67 ALA C C 67 176.670 176.670 175.480 1.190 18797 9772 1 16 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.780 0.720 18797 9773 1 16 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.581 -0.521 18797 9774 1 16 . 1 1 67 67 ALA H H 67 9.370 9.370 8.444 0.926 18797 9775 1 16 . 1 1 68 68 GLY N N 68 104.240 104.240 106.820 -2.580 18797 9776 1 16 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.624 1.296 18797 9777 1 16 . 1 1 68 68 GLY H H 68 8.900 8.900 8.180 0.720 18797 9778 1 16 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.028 0.012 18797 9779 1 16 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.807 -0.117 18797 9780 1 16 . 1 1 70 70 ALA N N 70 120.220 120.220 126.669 -6.449 18797 9781 1 16 . 1 1 70 70 ALA C C 70 175.590 175.590 176.140 -0.550 18797 9782 1 16 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.020 -1.530 18797 9783 1 16 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.626 0.354 18797 9784 1 16 . 1 1 70 70 ALA H H 70 7.870 7.870 8.527 -0.657 18797 9785 1 16 . 1 1 71 71 TYR N N 71 126.080 126.080 121.669 4.411 18797 9786 1 16 . 1 1 71 71 TYR C C 71 174.090 174.090 175.139 -1.049 18797 9787 1 16 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.744 -0.624 18797 9788 1 16 . 1 1 71 71 TYR CB C 71 41.920 41.920 40.949 0.971 18797 9789 1 16 . 1 1 71 71 TYR H H 71 9.780 9.780 9.036 0.744 18797 9790 1 16 . 1 1 72 72 ARG N N 72 131.410 131.410 124.306 7.104 18797 9791 1 16 . 1 1 72 72 ARG C C 72 174.160 174.160 174.826 -0.666 18797 9792 1 16 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.771 1.249 18797 9793 1 16 . 1 1 72 72 ARG CB C 72 29.620 29.620 29.999 -0.379 18797 9794 1 16 . 1 1 72 72 ARG H H 72 8.770 8.770 8.736 0.034 18797 9795 1 16 . 1 1 73 73 ILE N N 73 129.550 129.550 125.116 4.434 18797 9796 1 16 . 1 1 73 73 ILE C C 73 175.730 175.730 176.317 -0.587 18797 9797 1 16 . 1 1 73 73 ILE CA C 73 62.950 62.950 59.089 3.861 18797 9798 1 16 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.100 0.410 18797 9799 1 16 . 1 1 73 73 ILE H H 73 8.400 8.400 7.770 0.630 18797 9800 1 16 . 1 1 74 74 ASN N N 74 114.870 114.870 124.538 -9.668 18797 9801 1 16 . 1 1 74 74 ASN C C 74 174.860 174.860 175.340 -0.480 18797 9802 1 16 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.852 -3.022 18797 9803 1 16 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.799 -1.959 18797 9804 1 16 . 1 1 74 74 ASN H H 74 7.920 7.920 8.614 -0.694 18797 9805 1 16 . 1 1 75 75 ASP N N 75 113.980 113.980 118.878 -4.898 18797 9806 1 16 . 1 1 75 75 ASP C C 75 175.820 175.820 176.157 -0.337 18797 9807 1 16 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.639 3.281 18797 9808 1 16 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.447 -1.218 18797 9809 1 16 . 1 1 75 75 ASP H H 75 8.320 8.320 8.060 0.260 18797 9810 1 16 . 1 1 76 76 TRP N N 76 113.600 113.600 121.398 -7.798 18797 9811 1 16 . 1 1 76 76 TRP C C 76 176.310 176.310 175.747 0.563 18797 9812 1 16 . 1 1 76 76 TRP CA C 76 55.410 55.410 57.007 -1.597 18797 9813 1 16 . 1 1 76 76 TRP CB C 76 31.160 31.160 27.375 3.785 18797 9814 1 16 . 1 1 76 76 TRP H H 76 7.970 7.970 8.574 -0.604 18797 9815 1 16 . 1 1 77 77 ALA N N 77 125.520 125.520 121.510 4.010 18797 9816 1 16 . 1 1 77 77 ALA C C 77 175.620 175.620 177.114 -1.494 18797 9817 1 16 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.392 0.678 18797 9818 1 16 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.976 1.165 18797 9819 1 16 . 1 1 77 77 ALA H H 77 7.740 7.740 7.550 0.190 18797 9820 1 16 . 1 1 78 78 SER N N 78 114.140 114.140 116.284 -2.144 18797 9821 1 16 . 1 1 78 78 SER C C 78 170.060 170.060 173.723 -3.663 18797 9822 1 16 . 1 1 78 78 SER CA C 78 57.250 57.250 59.886 -2.635 18797 9823 1 16 . 1 1 78 78 SER CB C 78 65.320 65.320 64.285 1.035 18797 9824 1 16 . 1 1 78 78 SER H H 78 8.100 8.100 7.513 0.587 18797 9825 1 16 . 1 1 79 79 ILE N N 79 120.650 120.650 121.685 -1.035 18797 9826 1 16 . 1 1 79 79 ILE C C 79 172.470 172.470 174.878 -2.408 18797 9827 1 16 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.268 -1.818 18797 9828 1 16 . 1 1 79 79 ILE CB C 79 42.100 42.100 40.991 1.109 18797 9829 1 16 . 1 1 79 79 ILE H H 79 8.960 8.960 8.075 0.885 18797 9830 1 16 . 1 1 80 80 TYR N N 80 120.580 120.580 124.501 -3.921 18797 9831 1 16 . 1 1 80 80 TYR C C 80 173.000 173.000 173.745 -0.745 18797 9832 1 16 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.119 0.861 18797 9833 1 16 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.263 -0.233 18797 9834 1 16 . 1 1 80 80 TYR H H 80 8.360 8.360 8.371 -0.011 18797 9835 1 16 . 1 1 81 81 GLY N N 81 106.140 106.140 109.233 -3.093 18797 9836 1 16 . 1 1 81 81 GLY C C 81 170.920 170.920 172.220 -1.300 18797 9837 1 16 . 1 1 81 81 GLY CA C 81 44.000 44.000 44.074 -0.074 18797 9838 1 16 . 1 1 81 81 GLY H H 81 8.050 8.050 8.192 -0.142 18797 9839 1 16 . 1 1 82 82 VAL N N 82 111.380 111.380 118.844 -7.464 18797 9840 1 16 . 1 1 82 82 VAL C C 82 174.370 174.370 173.405 0.965 18797 9841 1 16 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.602 -1.422 18797 9842 1 16 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.678 -0.238 18797 9843 1 16 . 1 1 82 82 VAL H H 82 8.490 8.490 8.225 0.265 18797 9844 1 16 . 1 1 83 83 VAL N N 83 113.660 113.660 121.486 -7.826 18797 9845 1 16 . 1 1 83 83 VAL C C 83 174.680 174.680 174.437 0.243 18797 9846 1 16 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.224 -0.134 18797 9847 1 16 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.677 0.343 18797 9848 1 16 . 1 1 83 83 VAL H H 83 8.970 8.970 8.230 0.740 18797 9849 1 16 . 1 1 84 84 GLY N N 84 108.310 108.310 114.575 -6.265 18797 9850 1 16 . 1 1 84 84 GLY C C 84 171.440 171.440 171.439 0.001 18797 9851 1 16 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.557 2.213 18797 9852 1 16 . 1 1 84 84 GLY H H 84 8.480 8.480 8.865 -0.385 18797 9853 1 16 . 1 1 85 85 VAL N N 85 122.520 122.520 120.267 2.253 18797 9854 1 16 . 1 1 85 85 VAL C C 85 172.560 172.560 173.897 -1.337 18797 9855 1 16 . 1 1 85 85 VAL CA C 85 59.170 59.170 58.564 0.606 18797 9856 1 16 . 1 1 85 85 VAL CB C 85 35.810 35.810 35.229 0.581 18797 9857 1 16 . 1 1 85 85 VAL H H 85 8.920 8.920 8.097 0.823 18797 9858 1 16 . 1 1 86 86 GLY N N 86 113.360 113.360 115.591 -2.231 18797 9859 1 16 . 1 1 86 86 GLY C C 86 172.210 172.210 171.986 0.224 18797 9860 1 16 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.718 -0.438 18797 9861 1 16 . 1 1 86 86 GLY H H 86 8.880 8.880 8.353 0.527 18797 9862 1 16 . 1 1 87 87 TYR N N 87 123.830 123.830 122.467 1.363 18797 9863 1 16 . 1 1 87 87 TYR C C 87 174.030 174.030 175.635 -1.605 18797 9864 1 16 . 1 1 87 87 TYR CA C 87 55.930 55.930 56.092 -0.162 18797 9865 1 16 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.511 -0.481 18797 9866 1 16 . 1 1 87 87 TYR H H 87 9.310 9.310 8.875 0.435 18797 9867 1 16 . 1 1 88 88 GLY N N 88 112.300 112.300 109.237 3.063 18797 9868 1 16 . 1 1 88 88 GLY C C 88 170.620 170.620 172.295 -1.675 18797 9869 1 16 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.627 0.773 18797 9870 1 16 . 1 1 88 88 GLY H H 88 8.000 8.000 8.949 -0.949 18797 9871 1 16 . 1 1 89 89 LYS N N 89 122.410 122.410 121.702 0.708 18797 9872 1 16 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.442 0.038 18797 9873 1 16 . 1 1 89 89 LYS H H 89 8.230 8.230 8.411 -0.181 18797 9874 1 16 . 1 1 90 90 PHE C C 90 175.190 175.190 174.567 0.623 18797 9875 1 16 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.588 -2.558 18797 9876 1 16 . 1 1 90 90 PHE CB C 90 40.510 40.510 40.520 -0.010 18797 9877 1 16 . 1 1 91 91 GLN N N 91 122.380 122.380 124.743 -2.363 18797 9878 1 16 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.279 1.051 18797 9879 1 16 . 1 1 91 91 GLN CB C 91 29.700 29.700 32.837 -3.136 18797 9880 1 16 . 1 1 91 91 GLN H H 91 8.370 8.370 7.881 0.489 18797 9881 1 16 . 1 1 94 94 GLU N N 94 175.780 175.780 120.725 55.055 18797 9882 1 16 . 1 1 94 94 GLU CA C 94 57.030 57.030 57.928 -0.898 18797 9883 1 16 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.996 -0.536 18797 9884 1 16 . 1 1 95 95 TYR N N 95 120.240 120.240 115.055 5.185 18797 9885 1 16 . 1 1 95 95 TYR CA C 95 55.290 55.290 55.412 -0.122 18797 9886 1 16 . 1 1 95 95 TYR CB C 95 37.730 37.730 39.509 -1.779 18797 9887 1 16 . 1 1 95 95 TYR H H 95 7.830 7.830 7.545 0.285 18797 9888 1 16 . 1 1 97 97 THR CA C 97 62.210 62.210 62.411 -0.201 18797 9889 1 16 . 1 1 97 97 THR H H 97 174.320 174.320 7.930 166.390 18797 9890 1 16 . 1 1 98 98 TYR N N 98 122.540 122.540 123.502 -0.962 18797 9891 1 16 . 1 1 98 98 TYR C C 98 175.000 175.000 175.639 -0.639 18797 9892 1 16 . 1 1 98 98 TYR CA C 98 57.530 57.530 56.733 0.797 18797 9893 1 16 . 1 1 98 98 TYR CB C 98 38.350 38.350 39.437 -1.087 18797 9894 1 16 . 1 1 98 98 TYR H H 98 8.040 8.040 7.934 0.106 18797 9895 1 16 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.294 0.726 18797 9896 1 16 . 1 1 101 101 ASP CB C 101 39.700 39.700 42.514 -2.814 18797 9897 1 16 . 1 1 101 101 ASP H H 101 176.040 176.040 8.541 167.499 18797 9898 1 16 . 1 1 102 102 THR N N 102 117.650 117.650 115.656 1.994 18797 9899 1 16 . 1 1 102 102 THR C C 102 173.840 173.840 173.619 0.221 18797 9900 1 16 . 1 1 102 102 THR CA C 102 61.590 61.590 62.516 -0.926 18797 9901 1 16 . 1 1 102 102 THR CB C 102 69.970 69.970 71.072 -1.102 18797 9902 1 16 . 1 1 102 102 THR H H 102 8.520 8.520 8.389 0.131 18797 9903 1 16 . 1 1 103 103 SER N N 103 119.470 119.470 120.616 -1.146 18797 9904 1 16 . 1 1 103 103 SER C C 103 173.580 173.580 173.168 0.412 18797 9905 1 16 . 1 1 103 103 SER CA C 103 57.310 57.310 57.237 0.073 18797 9906 1 16 . 1 1 103 103 SER H H 103 8.240 8.240 8.581 -0.341 18797 9907 1 16 . 1 1 104 104 ASP N N 104 122.250 122.250 123.416 -1.166 18797 9908 1 16 . 1 1 104 104 ASP C C 104 173.100 173.100 174.576 -1.476 18797 9909 1 16 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.749 -0.149 18797 9910 1 16 . 1 1 104 104 ASP CB C 104 44.060 44.060 44.665 -0.605 18797 9911 1 16 . 1 1 104 104 ASP H H 104 8.270 8.270 8.674 -0.404 18797 9912 1 16 . 1 1 105 105 TYR N N 105 116.040 116.040 117.817 -1.777 18797 9913 1 16 . 1 1 105 105 TYR C C 105 175.860 175.860 174.847 1.013 18797 9914 1 16 . 1 1 105 105 TYR CA C 105 55.550 55.550 55.513 0.037 18797 9915 1 16 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.539 0.091 18797 9916 1 16 . 1 1 105 105 TYR H H 105 8.560 8.560 8.214 0.346 18797 9917 1 16 . 1 1 106 106 GLY N N 106 108.500 108.500 109.110 -0.610 18797 9918 1 16 . 1 1 106 106 GLY C C 106 172.030 172.030 171.684 0.346 18797 9919 1 16 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.256 0.234 18797 9920 1 16 . 1 1 106 106 GLY H H 106 9.190 9.190 8.255 0.935 18797 9921 1 16 . 1 1 107 107 PHE N N 107 121.420 121.420 119.137 2.283 18797 9922 1 16 . 1 1 107 107 PHE C C 107 175.430 175.430 175.503 -0.073 18797 9923 1 16 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.350 1.190 18797 9924 1 16 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.083 -0.883 18797 9925 1 16 . 1 1 107 107 PHE H H 107 8.860 8.860 8.628 0.232 18797 9926 1 16 . 1 1 108 108 SER N N 108 123.250 123.250 118.525 4.725 18797 9927 1 16 . 1 1 108 108 SER C C 108 171.430 171.430 173.036 -1.606 18797 9928 1 16 . 1 1 108 108 SER CA C 108 56.100 56.100 56.503 -0.403 18797 9929 1 16 . 1 1 108 108 SER CB C 108 65.720 65.720 66.319 -0.599 18797 9930 1 16 . 1 1 108 108 SER H H 108 8.110 8.110 8.908 -0.798 18797 9931 1 16 . 1 1 109 109 TYR N N 109 117.840 117.840 123.376 -5.536 18797 9932 1 16 . 1 1 109 109 TYR C C 109 173.560 173.560 173.623 -0.063 18797 9933 1 16 . 1 1 109 109 TYR CA C 109 55.320 55.320 57.053 -1.732 18797 9934 1 16 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.767 -3.207 18797 9935 1 16 . 1 1 109 109 TYR H H 109 8.480 8.480 8.440 0.040 18797 9936 1 16 . 1 1 110 110 GLY N N 110 106.400 106.400 109.910 -3.510 18797 9937 1 16 . 1 1 110 110 GLY C C 110 171.350 171.350 170.794 0.556 18797 9938 1 16 . 1 1 110 110 GLY CA C 110 46.160 46.160 43.740 2.420 18797 9939 1 16 . 1 1 110 110 GLY H H 110 8.980 8.980 7.731 1.249 18797 9940 1 16 . 1 1 111 111 ALA N N 111 119.140 119.140 120.803 -1.663 18797 9941 1 16 . 1 1 111 111 ALA C C 111 174.640 174.640 174.656 -0.016 18797 9942 1 16 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.130 0.840 18797 9943 1 16 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.596 -0.446 18797 9944 1 16 . 1 1 111 111 ALA H H 111 8.390 8.390 7.332 1.058 18797 9945 1 16 . 1 1 112 112 GLY N N 112 106.070 106.070 106.604 -0.534 18797 9946 1 16 . 1 1 112 112 GLY C C 112 169.770 169.770 171.826 -2.056 18797 9947 1 16 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.416 0.854 18797 9948 1 16 . 1 1 112 112 GLY H H 112 7.820 7.820 7.467 0.353 18797 9949 1 16 . 1 1 113 113 LEU N N 113 116.370 116.370 119.818 -3.448 18797 9950 1 16 . 1 1 113 113 LEU C C 113 175.090 175.090 175.738 -0.648 18797 9951 1 16 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.263 -0.573 18797 9952 1 16 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.708 0.852 18797 9953 1 16 . 1 1 113 113 LEU H H 113 8.930 8.930 8.458 0.472 18797 9954 1 16 . 1 1 114 114 GLN N N 114 115.860 115.860 121.008 -5.148 18797 9955 1 16 . 1 1 114 114 GLN C C 114 176.910 176.910 174.343 2.567 18797 9956 1 16 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.517 -0.787 18797 9957 1 16 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.873 0.417 18797 9958 1 16 . 1 1 114 114 GLN H H 114 7.860 7.860 8.445 -0.585 18797 9959 1 16 . 1 1 115 115 PHE N N 115 126.580 126.580 126.592 -0.012 18797 9960 1 16 . 1 1 115 115 PHE C C 115 175.740 175.740 172.909 2.831 18797 9961 1 16 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.882 -1.682 18797 9962 1 16 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.947 1.423 18797 9963 1 16 . 1 1 115 115 PHE H H 115 9.750 9.750 8.977 0.773 18797 9964 1 16 . 1 1 116 116 ASN N N 116 119.920 119.920 125.428 -5.508 18797 9965 1 16 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.334 0.866 18797 9966 1 16 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.228 0.422 18797 9967 1 16 . 1 1 116 116 ASN H H 116 9.450 9.450 8.660 0.790 18797 9968 1 16 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.650 2.050 18797 9969 1 16 . 1 1 118 118 MET N N 118 110.530 110.530 118.492 -7.962 18797 9970 1 16 . 1 1 118 118 MET C C 118 176.130 176.130 177.022 -0.892 18797 9971 1 16 . 1 1 118 118 MET CA C 118 53.980 53.980 56.779 -2.799 18797 9972 1 16 . 1 1 118 118 MET CB C 118 36.310 36.310 32.398 3.912 18797 9973 1 16 . 1 1 118 118 MET H H 118 7.310 7.310 8.319 -1.009 18797 9974 1 16 . 1 1 119 119 GLU N N 119 120.320 120.320 122.167 -1.847 18797 9975 1 16 . 1 1 119 119 GLU C C 119 176.810 176.810 177.451 -0.641 18797 9976 1 16 . 1 1 119 119 GLU CA C 119 59.600 59.600 58.202 1.398 18797 9977 1 16 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.352 -0.202 18797 9978 1 16 . 1 1 119 119 GLU H H 119 9.120 9.120 9.011 0.109 18797 9979 1 16 . 1 1 120 120 ASN N N 120 112.490 112.490 118.000 -5.510 18797 9980 1 16 . 1 1 120 120 ASN C C 120 174.080 174.080 176.470 -2.390 18797 9981 1 16 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.369 -1.969 18797 9982 1 16 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.331 0.499 18797 9983 1 16 . 1 1 120 120 ASN H H 120 8.430 8.430 8.682 -0.252 18797 9984 1 16 . 1 1 121 121 VAL N N 121 117.760 117.760 118.202 -0.442 18797 9985 1 16 . 1 1 121 121 VAL C C 121 174.750 174.750 175.151 -0.401 18797 9986 1 16 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.823 -2.133 18797 9987 1 16 . 1 1 121 121 VAL CB C 121 34.900 34.900 30.756 4.144 18797 9988 1 16 . 1 1 121 121 VAL H H 121 7.500 7.500 7.170 0.330 18797 9989 1 16 . 1 1 122 122 ALA N N 122 127.190 127.190 123.471 3.719 18797 9990 1 16 . 1 1 122 122 ALA C C 122 175.140 175.140 175.028 0.112 18797 9991 1 16 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.685 -1.295 18797 9992 1 16 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.984 0.836 18797 9993 1 16 . 1 1 122 122 ALA H H 122 8.230 8.230 7.326 0.904 18797 9994 1 16 . 1 1 123 123 LEU N N 123 120.270 120.270 124.507 -4.237 18797 9995 1 16 . 1 1 123 123 LEU C C 123 174.310 174.310 174.617 -0.307 18797 9996 1 16 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.734 -0.074 18797 9997 1 16 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.918 -2.408 18797 9998 1 16 . 1 1 123 123 LEU H H 123 8.910 8.910 8.489 0.421 18797 9999 1 16 . 1 1 124 124 ASP N N 124 127.350 127.350 122.688 4.662 18797 10000 1 16 . 1 1 124 124 ASP C C 124 171.830 171.830 174.329 -2.499 18797 10001 1 16 . 1 1 124 124 ASP CA C 124 53.820 53.820 51.873 1.947 18797 10002 1 16 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.120 3.370 18797 10003 1 16 . 1 1 124 124 ASP H H 124 8.580 8.580 8.325 0.255 18797 10004 1 16 . 1 1 125 125 PHE N N 125 123.390 123.390 118.971 4.419 18797 10005 1 16 . 1 1 125 125 PHE C C 125 174.130 174.130 175.109 -0.979 18797 10006 1 16 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.658 -0.998 18797 10007 1 16 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.744 -0.044 18797 10008 1 16 . 1 1 125 125 PHE H H 125 8.670 8.670 8.312 0.358 18797 10009 1 16 . 1 1 126 126 SER N N 126 118.680 118.680 116.655 2.025 18797 10010 1 16 . 1 1 126 126 SER C C 126 169.980 169.980 172.462 -2.482 18797 10011 1 16 . 1 1 126 126 SER CA C 126 58.120 58.120 56.546 1.574 18797 10012 1 16 . 1 1 126 126 SER CB C 126 66.950 66.950 66.120 0.830 18797 10013 1 16 . 1 1 126 126 SER H H 126 9.390 9.390 8.822 0.568 18797 10014 1 16 . 1 1 127 127 TYR N N 127 119.080 119.080 120.655 -1.575 18797 10015 1 16 . 1 1 127 127 TYR C C 127 174.390 174.390 173.359 1.031 18797 10016 1 16 . 1 1 127 127 TYR CA C 127 55.440 55.440 54.489 0.951 18797 10017 1 16 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.290 1.810 18797 10018 1 16 . 1 1 127 127 TYR H H 127 8.610 8.610 8.294 0.316 18797 10019 1 16 . 1 1 128 128 GLU N N 128 130.070 130.070 121.582 8.488 18797 10020 1 16 . 1 1 128 128 GLU C C 128 172.590 172.590 175.147 -2.557 18797 10021 1 16 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.025 0.105 18797 10022 1 16 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.547 -0.047 18797 10023 1 16 . 1 1 128 128 GLU H H 128 8.510 8.510 8.334 0.176 18797 10024 1 16 . 1 1 129 129 GLN N N 129 128.670 128.670 124.333 4.337 18797 10025 1 16 . 1 1 129 129 GLN C C 129 173.690 173.690 174.801 -1.111 18797 10026 1 16 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.917 -0.707 18797 10027 1 16 . 1 1 129 129 GLN CB C 129 31.050 31.050 33.129 -2.079 18797 10028 1 16 . 1 1 129 129 GLN H H 129 9.330 9.330 8.680 0.650 18797 10029 1 16 . 1 1 130 130 SER N N 130 118.630 118.630 117.486 1.144 18797 10030 1 16 . 1 1 130 130 SER C C 130 174.210 174.210 173.762 0.448 18797 10031 1 16 . 1 1 130 130 SER CA C 130 56.450 56.450 56.611 -0.161 18797 10032 1 16 . 1 1 130 130 SER CB C 130 66.260 66.260 65.127 1.133 18797 10033 1 16 . 1 1 130 130 SER H H 130 8.580 8.580 8.352 0.228 18797 10034 1 16 . 1 1 131 131 ARG N N 131 126.850 126.850 126.379 0.471 18797 10035 1 16 . 1 1 131 131 ARG C C 131 174.740 174.740 175.994 -1.254 18797 10036 1 16 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.678 -0.338 18797 10037 1 16 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.702 -0.792 18797 10038 1 16 . 1 1 131 131 ARG H H 131 7.690 7.690 8.612 -0.922 18797 10039 1 16 . 1 1 132 132 ILE N N 132 129.470 129.470 126.669 2.801 18797 10040 1 16 . 1 1 132 132 ILE C C 132 175.500 175.500 176.380 -0.880 18797 10041 1 16 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.642 -2.752 18797 10042 1 16 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.470 0.850 18797 10043 1 16 . 1 1 132 132 ILE H H 132 8.730 8.730 8.701 0.029 18797 10044 1 16 . 1 1 133 133 ARG N N 133 127.220 127.220 128.836 -1.616 18797 10045 1 16 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.434 2.676 18797 10046 1 16 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.025 -3.705 18797 10047 1 16 . 1 1 133 133 ARG H H 133 9.400 9.400 8.304 1.096 18797 10048 1 16 . 1 1 134 134 SER C C 134 173.290 173.290 173.820 -0.530 18797 10049 1 16 . 1 1 134 134 SER CA C 134 58.490 58.490 60.119 -1.629 18797 10050 1 16 . 1 1 134 134 SER CB C 134 62.860 62.860 63.177 -0.317 18797 10051 1 16 . 1 1 135 135 VAL N N 135 124.810 124.810 120.597 4.213 18797 10052 1 16 . 1 1 135 135 VAL C C 135 174.650 174.650 173.965 0.685 18797 10053 1 16 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.164 0.706 18797 10054 1 16 . 1 1 135 135 VAL CB C 135 32.060 32.060 33.983 -1.923 18797 10055 1 16 . 1 1 135 135 VAL H H 135 8.270 8.270 7.330 0.940 18797 10056 1 16 . 1 1 136 136 ASP N N 136 127.750 127.750 127.005 0.745 18797 10057 1 16 . 1 1 136 136 ASP C C 136 175.130 175.130 175.653 -0.523 18797 10058 1 16 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.700 1.520 18797 10059 1 16 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.855 -1.105 18797 10060 1 16 . 1 1 136 136 ASP H H 136 8.010 8.010 8.364 -0.354 18797 10061 1 16 . 1 1 137 137 VAL N N 137 124.520 124.520 120.967 3.553 18797 10062 1 16 . 1 1 137 137 VAL C C 137 174.690 174.690 174.275 0.415 18797 10063 1 16 . 1 1 137 137 VAL CA C 137 60.450 60.450 59.644 0.806 18797 10064 1 16 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.076 -0.276 18797 10065 1 16 . 1 1 137 137 VAL H H 137 8.720 8.720 7.764 0.956 18797 10066 1 16 . 1 1 138 138 GLY N N 138 116.920 116.920 111.803 5.117 18797 10067 1 16 . 1 1 138 138 GLY C C 138 172.930 172.930 172.659 0.271 18797 10068 1 16 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.421 0.059 18797 10069 1 16 . 1 1 138 138 GLY H H 138 8.240 8.240 8.596 -0.356 18797 10070 1 16 . 1 1 139 139 THR N N 139 125.070 125.070 122.525 2.545 18797 10071 1 16 . 1 1 139 139 THR C C 139 171.920 171.920 173.330 -1.410 18797 10072 1 16 . 1 1 139 139 THR CA C 139 60.890 60.890 61.694 -0.804 18797 10073 1 16 . 1 1 139 139 THR CB C 139 70.290 70.290 71.904 -1.614 18797 10074 1 16 . 1 1 139 139 THR H H 139 8.710 8.710 7.891 0.819 18797 10075 1 16 . 1 1 140 140 TRP N N 140 125.840 125.840 127.442 -1.602 18797 10076 1 16 . 1 1 140 140 TRP C C 140 175.070 175.070 175.030 0.040 18797 10077 1 16 . 1 1 140 140 TRP CA C 140 55.130 55.130 56.165 -1.035 18797 10078 1 16 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.623 -0.523 18797 10079 1 16 . 1 1 140 140 TRP H H 140 8.330 8.330 8.703 -0.373 18797 10080 1 16 . 1 1 141 141 ILE N N 141 123.240 123.240 122.695 0.545 18797 10081 1 16 . 1 1 141 141 ILE C C 141 174.870 174.870 173.524 1.346 18797 10082 1 16 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.919 1.471 18797 10083 1 16 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.566 -1.936 18797 10084 1 16 . 1 1 141 141 ILE H H 141 8.980 8.980 9.001 -0.021 18797 10085 1 16 . 1 1 142 142 ALA N N 142 127.680 127.680 128.908 -1.228 18797 10086 1 16 . 1 1 142 142 ALA C C 142 175.700 175.700 175.592 0.108 18797 10087 1 16 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.010 0.520 18797 10088 1 16 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.670 -0.460 18797 10089 1 16 . 1 1 142 142 ALA H H 142 8.350 8.350 8.538 -0.188 18797 10090 1 16 . 1 1 143 143 GLY N N 143 109.030 109.030 109.207 -0.177 18797 10091 1 16 . 1 1 143 143 GLY C C 143 172.090 172.090 171.842 0.248 18797 10092 1 16 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.244 1.186 18797 10093 1 16 . 1 1 143 143 GLY H H 143 9.520 9.520 8.236 1.284 18797 10094 1 16 . 1 1 144 144 VAL N N 144 114.110 114.110 115.805 -1.695 18797 10095 1 16 . 1 1 144 144 VAL C C 144 174.010 174.010 174.626 -0.616 18797 10096 1 16 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.353 -0.083 18797 10097 1 16 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.791 0.699 18797 10098 1 16 . 1 1 144 144 VAL H H 144 8.750 8.750 8.450 0.300 18797 10099 1 16 . 1 1 145 145 GLY N N 145 107.360 107.360 110.455 -3.095 18797 10100 1 16 . 1 1 145 145 GLY C C 145 171.210 171.210 171.818 -0.608 18797 10101 1 16 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.797 1.973 18797 10102 1 16 . 1 1 145 145 GLY H H 145 8.590 8.590 8.320 0.270 18797 10103 1 16 . 1 1 146 146 TYR N N 146 121.960 121.960 114.735 7.225 18797 10104 1 16 . 1 1 146 146 TYR C C 146 172.440 172.440 173.397 -0.957 18797 10105 1 16 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.284 -0.034 18797 10106 1 16 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.743 2.526 18797 10107 1 16 . 1 1 146 146 TYR H H 146 8.370 8.370 7.915 0.455 18797 10108 1 16 . 1 1 147 147 ARG N N 147 129.590 129.590 119.109 10.481 18797 10109 1 16 . 1 1 147 147 ARG C C 147 173.850 173.850 174.175 -0.325 18797 10110 1 16 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.928 -1.568 18797 10111 1 16 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.365 -0.945 18797 10112 1 16 . 1 1 147 147 ARG H H 147 7.690 7.690 8.508 -0.818 18797 10113 1 17 . 1 1 2 2 THR N N 2 114.280 114.280 113.815 0.465 18797 10114 1 17 . 1 1 2 2 THR C C 2 173.570 173.570 173.461 0.109 18797 10115 1 17 . 1 1 2 2 THR CA C 2 61.040 61.040 61.284 -0.244 18797 10116 1 17 . 1 1 2 2 THR CB C 2 71.930 71.930 71.149 0.781 18797 10117 1 17 . 1 1 2 2 THR H H 2 8.490 8.490 8.239 0.251 18797 10118 1 17 . 1 1 3 3 SER N N 3 122.430 122.430 116.913 5.517 18797 10119 1 17 . 1 1 3 3 SER C C 3 172.590 172.590 172.686 -0.096 18797 10120 1 17 . 1 1 3 3 SER CA C 3 56.760 56.760 58.444 -1.684 18797 10121 1 17 . 1 1 3 3 SER CB C 3 65.480 65.480 65.164 0.316 18797 10122 1 17 . 1 1 3 3 SER H H 3 9.000 9.000 8.341 0.659 18797 10123 1 17 . 1 1 4 4 THR N N 4 117.240 117.240 121.271 -4.031 18797 10124 1 17 . 1 1 4 4 THR C C 4 174.640 174.640 173.053 1.587 18797 10125 1 17 . 1 1 4 4 THR CA C 4 61.390 61.390 61.389 0.000 18797 10126 1 17 . 1 1 4 4 THR CB C 4 70.680 70.680 71.253 -0.573 18797 10127 1 17 . 1 1 4 4 THR H H 4 8.610 8.610 8.244 0.366 18797 10128 1 17 . 1 1 5 5 VAL N N 5 129.440 129.440 125.667 3.773 18797 10129 1 17 . 1 1 5 5 VAL C C 5 174.770 174.770 174.807 -0.037 18797 10130 1 17 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.215 -0.456 18797 10131 1 17 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.413 0.077 18797 10132 1 17 . 1 1 5 5 VAL H H 5 8.750 8.750 7.930 0.820 18797 10133 1 17 . 1 1 6 6 THR N N 6 116.430 116.430 122.231 -5.801 18797 10134 1 17 . 1 1 6 6 THR C C 6 172.930 172.930 173.287 -0.357 18797 10135 1 17 . 1 1 6 6 THR CA C 6 58.590 58.590 61.109 -2.519 18797 10136 1 17 . 1 1 6 6 THR CB C 6 70.930 70.930 71.828 -0.898 18797 10137 1 17 . 1 1 6 6 THR H H 6 8.890 8.890 8.191 0.699 18797 10138 1 17 . 1 1 7 7 GLY N N 7 105.590 105.590 110.845 -5.255 18797 10139 1 17 . 1 1 7 7 GLY C C 7 172.430 172.430 172.122 0.308 18797 10140 1 17 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.933 0.387 18797 10141 1 17 . 1 1 7 7 GLY H H 7 8.760 8.760 8.465 0.295 18797 10142 1 17 . 1 1 8 8 GLY N N 8 106.530 106.530 110.079 -3.549 18797 10143 1 17 . 1 1 8 8 GLY C C 8 173.030 173.030 171.899 1.131 18797 10144 1 17 . 1 1 8 8 GLY CA C 8 45.930 45.930 45.502 0.428 18797 10145 1 17 . 1 1 8 8 GLY H H 8 9.100 9.100 8.166 0.934 18797 10146 1 17 . 1 1 9 9 TYR N N 9 121.730 121.730 116.660 5.070 18797 10147 1 17 . 1 1 9 9 TYR C C 9 172.390 172.390 172.999 -0.609 18797 10148 1 17 . 1 1 9 9 TYR CA C 9 56.840 56.840 54.840 2.000 18797 10149 1 17 . 1 1 9 9 TYR CB C 9 41.080 41.080 41.575 -0.495 18797 10150 1 17 . 1 1 9 9 TYR H H 9 8.410 8.410 8.046 0.364 18797 10151 1 17 . 1 1 10 10 ALA N N 10 128.460 128.460 121.524 6.936 18797 10152 1 17 . 1 1 10 10 ALA C C 10 174.020 174.020 175.242 -1.222 18797 10153 1 17 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.887 -1.677 18797 10154 1 17 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.411 -0.191 18797 10155 1 17 . 1 1 10 10 ALA H H 10 6.910 6.910 8.704 -1.794 18797 10156 1 17 . 1 1 11 11 GLN N N 11 118.830 118.830 122.809 -3.979 18797 10157 1 17 . 1 1 11 11 GLN C C 11 175.650 175.650 174.506 1.144 18797 10158 1 17 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.412 0.418 18797 10159 1 17 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.342 -0.282 18797 10160 1 17 . 1 1 11 11 GLN H H 11 8.100 8.100 7.861 0.239 18797 10161 1 17 . 1 1 12 12 SER N N 12 124.200 124.200 120.826 3.374 18797 10162 1 17 . 1 1 12 12 SER C C 12 172.710 172.710 173.274 -0.564 18797 10163 1 17 . 1 1 12 12 SER CA C 12 57.190 57.190 55.630 1.560 18797 10164 1 17 . 1 1 12 12 SER CB C 12 64.180 64.180 64.936 -0.756 18797 10165 1 17 . 1 1 12 12 SER H H 12 9.160 9.160 8.242 0.918 18797 10166 1 17 . 1 1 13 13 ASP N N 13 124.950 124.950 127.356 -2.406 18797 10167 1 17 . 1 1 13 13 ASP C C 13 174.860 174.860 174.797 0.063 18797 10168 1 17 . 1 1 13 13 ASP CA C 13 52.960 52.960 54.013 -1.053 18797 10169 1 17 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.590 0.330 18797 10170 1 17 . 1 1 13 13 ASP H H 13 9.070 9.070 7.924 1.146 18797 10171 1 17 . 1 1 14 14 ALA N N 14 128.730 128.730 127.853 0.877 18797 10172 1 17 . 1 1 14 14 ALA C C 14 176.230 176.230 176.883 -0.653 18797 10173 1 17 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.725 -1.915 18797 10174 1 17 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.372 -0.872 18797 10175 1 17 . 1 1 14 14 ALA H H 14 8.560 8.560 8.239 0.321 18797 10176 1 17 . 1 1 15 15 GLN N N 15 122.750 122.750 122.353 0.397 18797 10177 1 17 . 1 1 15 15 GLN C C 15 176.660 176.660 176.383 0.277 18797 10178 1 17 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.777 2.343 18797 10179 1 17 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.215 -2.055 18797 10180 1 17 . 1 1 15 15 GLN H H 15 8.340 8.340 8.574 -0.234 18797 10181 1 17 . 1 1 16 16 GLY N N 16 112.800 112.800 108.466 4.334 18797 10182 1 17 . 1 1 16 16 GLY C C 16 174.400 174.400 173.961 0.439 18797 10183 1 17 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.458 -0.278 18797 10184 1 17 . 1 1 16 16 GLY H H 16 8.650 8.650 8.321 0.329 18797 10185 1 17 . 1 1 17 17 GLN N N 17 119.300 119.300 116.558 2.742 18797 10186 1 17 . 1 1 17 17 GLN C C 17 175.720 175.720 174.674 1.046 18797 10187 1 17 . 1 1 17 17 GLN CA C 17 54.600 54.600 57.140 -2.540 18797 10188 1 17 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.365 5.435 18797 10189 1 17 . 1 1 17 17 GLN H H 17 8.080 8.080 8.647 -0.567 18797 10190 1 17 . 1 1 18 18 MET N N 18 120.170 120.170 114.695 5.475 18797 10191 1 17 . 1 1 18 18 MET C C 18 175.400 175.400 174.569 0.831 18797 10192 1 17 . 1 1 18 18 MET CA C 18 55.980 55.980 54.502 1.478 18797 10193 1 17 . 1 1 18 18 MET CB C 18 35.590 35.590 36.257 -0.667 18797 10194 1 17 . 1 1 18 18 MET H H 18 8.370 8.370 7.654 0.716 18797 10195 1 17 . 1 1 19 19 ASN N N 19 117.900 117.900 119.808 -1.908 18797 10196 1 17 . 1 1 19 19 ASN C C 19 174.400 174.400 174.682 -0.282 18797 10197 1 17 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.346 -0.046 18797 10198 1 17 . 1 1 19 19 ASN CB C 19 39.400 39.400 40.109 -0.709 18797 10199 1 17 . 1 1 19 19 ASN H H 19 7.990 7.990 8.565 -0.575 18797 10200 1 17 . 1 1 20 20 LYS N N 20 120.800 120.800 120.489 0.311 18797 10201 1 17 . 1 1 20 20 LYS C C 20 176.410 176.410 176.161 0.249 18797 10202 1 17 . 1 1 20 20 LYS CA C 20 55.700 55.700 57.081 -1.381 18797 10203 1 17 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.384 -1.484 18797 10204 1 17 . 1 1 20 20 LYS H H 20 8.340 8.340 8.536 -0.196 18797 10205 1 17 . 1 1 21 21 MET N N 21 120.500 120.500 118.228 2.272 18797 10206 1 17 . 1 1 21 21 MET C C 21 175.270 175.270 175.207 0.063 18797 10207 1 17 . 1 1 21 21 MET CA C 21 54.800 54.800 54.583 0.217 18797 10208 1 17 . 1 1 21 21 MET CB C 21 34.730 34.730 37.039 -2.309 18797 10209 1 17 . 1 1 21 21 MET H H 21 8.580 8.580 7.746 0.834 18797 10210 1 17 . 1 1 22 22 GLY N N 22 111.280 111.280 108.257 3.023 18797 10211 1 17 . 1 1 22 22 GLY C C 22 174.030 174.030 172.172 1.858 18797 10212 1 17 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.899 -0.089 18797 10213 1 17 . 1 1 22 22 GLY H H 22 8.430 8.430 8.273 0.157 18797 10214 1 17 . 1 1 23 23 GLY N N 23 120.170 120.170 109.916 10.254 18797 10215 1 17 . 1 1 23 23 GLY C C 23 171.850 171.850 171.809 0.041 18797 10216 1 17 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.572 2.578 18797 10217 1 17 . 1 1 23 23 GLY H H 23 8.180 8.180 8.053 0.127 18797 10218 1 17 . 1 1 24 24 PHE N N 24 121.370 121.370 119.805 1.565 18797 10219 1 17 . 1 1 24 24 PHE C C 24 171.570 171.570 174.384 -2.814 18797 10220 1 17 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.690 -1.960 18797 10221 1 17 . 1 1 24 24 PHE CB C 24 43.510 43.510 41.726 1.784 18797 10222 1 17 . 1 1 24 24 PHE H H 24 9.230 9.230 7.987 1.243 18797 10223 1 17 . 1 1 25 25 ASN N N 25 118.950 118.950 120.404 -1.454 18797 10224 1 17 . 1 1 25 25 ASN C C 25 172.080 172.080 173.924 -1.844 18797 10225 1 17 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.264 -1.394 18797 10226 1 17 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.164 4.286 18797 10227 1 17 . 1 1 25 25 ASN H H 25 8.520 8.520 8.546 -0.026 18797 10228 1 17 . 1 1 26 26 LEU N N 26 126.150 126.150 125.540 0.610 18797 10229 1 17 . 1 1 26 26 LEU C C 26 175.620 175.620 175.730 -0.110 18797 10230 1 17 . 1 1 26 26 LEU CA C 26 53.490 53.490 54.034 -0.544 18797 10231 1 17 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.263 1.367 18797 10232 1 17 . 1 1 26 26 LEU H H 26 9.340 9.340 8.394 0.946 18797 10233 1 17 . 1 1 27 27 LYS N N 27 117.980 117.980 119.721 -1.741 18797 10234 1 17 . 1 1 27 27 LYS C C 27 175.120 175.120 175.237 -0.117 18797 10235 1 17 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.577 0.613 18797 10236 1 17 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.651 -0.081 18797 10237 1 17 . 1 1 27 27 LYS H H 27 8.850 8.850 8.232 0.618 18797 10238 1 17 . 1 1 28 28 TYR N N 28 120.820 120.820 120.907 -0.087 18797 10239 1 17 . 1 1 28 28 TYR C C 28 172.480 172.480 174.736 -2.256 18797 10240 1 17 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.361 -0.081 18797 10241 1 17 . 1 1 28 28 TYR CB C 28 41.900 41.900 41.998 -0.098 18797 10242 1 17 . 1 1 28 28 TYR H H 28 8.430 8.430 8.589 -0.159 18797 10243 1 17 . 1 1 29 29 ARG N N 29 129.660 129.660 121.673 7.987 18797 10244 1 17 . 1 1 29 29 ARG C C 29 172.780 172.780 174.184 -1.404 18797 10245 1 17 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.815 -0.815 18797 10246 1 17 . 1 1 29 29 ARG CB C 29 34.010 34.010 35.041 -1.031 18797 10247 1 17 . 1 1 29 29 ARG H H 29 8.670 8.670 8.083 0.587 18797 10248 1 17 . 1 1 30 30 TYR N N 30 127.210 127.210 122.882 4.328 18797 10249 1 17 . 1 1 30 30 TYR C C 30 175.000 175.000 174.935 0.065 18797 10250 1 17 . 1 1 30 30 TYR CA C 30 56.830 56.830 57.137 -0.307 18797 10251 1 17 . 1 1 30 30 TYR CB C 30 42.140 42.140 40.393 1.747 18797 10252 1 17 . 1 1 30 30 TYR H H 30 8.930 8.930 8.106 0.824 18797 10253 1 17 . 1 1 31 31 GLU N N 31 128.090 128.090 122.583 5.507 18797 10254 1 17 . 1 1 31 31 GLU C C 31 174.250 174.250 176.169 -1.919 18797 10255 1 17 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.531 -0.901 18797 10256 1 17 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.242 2.248 18797 10257 1 17 . 1 1 31 31 GLU H H 31 8.170 8.170 8.586 -0.416 18797 10258 1 17 . 1 1 32 32 GLU N N 32 122.610 122.610 123.902 -1.292 18797 10259 1 17 . 1 1 32 32 GLU C C 32 176.920 176.920 175.504 1.416 18797 10260 1 17 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.985 -0.415 18797 10261 1 17 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.201 -1.431 18797 10262 1 17 . 1 1 32 32 GLU H H 32 9.120 9.120 8.541 0.579 18797 10263 1 17 . 1 1 33 33 ASP N N 33 121.920 121.920 120.812 1.108 18797 10264 1 17 . 1 1 33 33 ASP C C 33 176.990 176.990 176.738 0.252 18797 10265 1 17 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.837 2.033 18797 10266 1 17 . 1 1 33 33 ASP CB C 33 40.270 40.270 42.059 -1.790 18797 10267 1 17 . 1 1 33 33 ASP H H 33 8.600 8.600 8.433 0.167 18797 10268 1 17 . 1 1 34 34 ASN N N 34 115.300 115.300 116.831 -1.531 18797 10269 1 17 . 1 1 34 34 ASN C C 34 174.280 174.280 176.026 -1.746 18797 10270 1 17 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.415 -2.055 18797 10271 1 17 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.489 -0.539 18797 10272 1 17 . 1 1 34 34 ASN H H 34 8.420 8.420 8.559 -0.139 18797 10273 1 17 . 1 1 35 35 SER N N 35 112.970 112.970 114.765 -1.795 18797 10274 1 17 . 1 1 35 35 SER CA C 35 54.260 54.260 57.949 -3.689 18797 10275 1 17 . 1 1 35 35 SER CB C 35 64.920 64.920 62.729 2.191 18797 10276 1 17 . 1 1 35 35 SER H H 35 7.270 7.270 7.986 -0.716 18797 10277 1 17 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.385 0.975 18797 10278 1 17 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.806 -1.336 18797 10279 1 17 . 1 1 37 37 LEU N N 37 123.000 123.000 122.677 0.323 18797 10280 1 17 . 1 1 37 37 LEU C C 37 176.300 176.300 177.558 -1.258 18797 10281 1 17 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.293 -0.453 18797 10282 1 17 . 1 1 37 37 LEU CB C 37 43.690 43.690 43.007 0.683 18797 10283 1 17 . 1 1 37 37 LEU H H 37 7.910 7.910 8.466 -0.556 18797 10284 1 17 . 1 1 38 38 GLY N N 38 117.320 117.320 109.671 7.649 18797 10285 1 17 . 1 1 38 38 GLY C C 38 172.340 172.340 173.048 -0.708 18797 10286 1 17 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.090 0.340 18797 10287 1 17 . 1 1 38 38 GLY H H 38 9.110 9.110 8.072 1.038 18797 10288 1 17 . 1 1 39 39 VAL N N 39 116.550 116.550 124.880 -8.330 18797 10289 1 17 . 1 1 39 39 VAL C C 39 171.720 171.720 175.395 -3.675 18797 10290 1 17 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.845 -2.845 18797 10291 1 17 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.924 2.686 18797 10292 1 17 . 1 1 39 39 VAL H H 39 7.980 7.980 8.496 -0.516 18797 10293 1 17 . 1 1 40 40 ILE N N 40 125.640 125.640 127.448 -1.808 18797 10294 1 17 . 1 1 40 40 ILE C C 40 171.600 171.600 175.115 -3.515 18797 10295 1 17 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.522 -0.982 18797 10296 1 17 . 1 1 40 40 ILE CB C 40 44.130 44.130 40.930 3.200 18797 10297 1 17 . 1 1 40 40 ILE H H 40 9.160 9.160 8.457 0.703 18797 10298 1 17 . 1 1 41 41 GLY N N 41 111.830 111.830 113.584 -1.754 18797 10299 1 17 . 1 1 41 41 GLY C C 41 172.000 172.000 172.026 -0.026 18797 10300 1 17 . 1 1 41 41 GLY CA C 41 43.150 43.150 43.880 -0.730 18797 10301 1 17 . 1 1 41 41 GLY H H 41 8.930 8.930 8.530 0.400 18797 10302 1 17 . 1 1 42 42 SER N N 42 116.940 116.940 119.075 -2.135 18797 10303 1 17 . 1 1 42 42 SER C C 42 172.100 172.100 172.478 -0.378 18797 10304 1 17 . 1 1 42 42 SER CA C 42 56.220 56.220 56.040 0.180 18797 10305 1 17 . 1 1 42 42 SER CB C 42 62.920 62.920 65.558 -2.639 18797 10306 1 17 . 1 1 42 42 SER H H 42 9.190 9.190 8.193 0.997 18797 10307 1 17 . 1 1 43 43 PHE N N 43 129.230 129.230 124.265 4.965 18797 10308 1 17 . 1 1 43 43 PHE C C 43 172.920 172.920 175.161 -2.241 18797 10309 1 17 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.247 -0.287 18797 10310 1 17 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.818 -0.388 18797 10311 1 17 . 1 1 43 43 PHE H H 43 9.300 9.300 8.713 0.587 18797 10312 1 17 . 1 1 44 44 THR N N 44 126.530 126.530 119.221 7.309 18797 10313 1 17 . 1 1 44 44 THR C C 44 171.340 171.340 173.273 -1.933 18797 10314 1 17 . 1 1 44 44 THR CA C 44 60.410 60.410 61.056 -0.646 18797 10315 1 17 . 1 1 44 44 THR CB C 44 70.220 70.220 71.399 -1.179 18797 10316 1 17 . 1 1 44 44 THR H H 44 8.820 8.820 8.346 0.474 18797 10317 1 17 . 1 1 45 45 TYR N N 45 125.840 125.840 123.742 2.098 18797 10318 1 17 . 1 1 45 45 TYR C C 45 174.000 174.000 174.505 -0.505 18797 10319 1 17 . 1 1 45 45 TYR CA C 45 55.670 55.670 55.024 0.646 18797 10320 1 17 . 1 1 45 45 TYR CB C 45 41.000 41.000 41.449 -0.449 18797 10321 1 17 . 1 1 45 45 TYR H H 45 8.210 8.210 8.302 -0.092 18797 10322 1 17 . 1 1 46 46 THR N N 46 117.670 117.670 115.207 2.463 18797 10323 1 17 . 1 1 46 46 THR C C 46 171.910 171.910 174.857 -2.947 18797 10324 1 17 . 1 1 46 46 THR CA C 46 58.720 58.720 59.965 -1.245 18797 10325 1 17 . 1 1 46 46 THR CB C 46 71.710 71.710 71.068 0.642 18797 10326 1 17 . 1 1 46 46 THR H H 46 8.550 8.550 8.593 -0.043 18797 10327 1 17 . 1 1 47 47 GLU N N 47 112.160 112.160 123.378 -11.218 18797 10328 1 17 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.574 0.006 18797 10329 1 17 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.800 -2.130 18797 10330 1 17 . 1 1 47 47 GLU H H 47 8.170 8.170 9.143 -0.973 18797 10331 1 17 . 1 1 49 49 SER CA C 49 58.210 58.210 59.526 -1.316 18797 10332 1 17 . 1 1 49 49 SER CB C 49 64.070 64.070 63.353 0.717 18797 10333 1 17 . 1 1 49 49 SER H H 49 174.130 174.130 8.600 165.530 18797 10334 1 17 . 1 1 50 50 ARG N N 50 124.000 124.000 119.206 4.794 18797 10335 1 17 . 1 1 50 50 ARG C C 50 176.270 176.270 174.879 1.391 18797 10336 1 17 . 1 1 50 50 ARG CA C 50 55.960 55.960 57.026 -1.066 18797 10337 1 17 . 1 1 50 50 ARG CB C 50 30.980 30.980 28.021 2.959 18797 10338 1 17 . 1 1 50 50 ARG H H 50 8.600 8.600 8.310 0.290 18797 10339 1 17 . 1 1 51 51 THR N N 51 115.720 115.720 115.802 -0.082 18797 10340 1 17 . 1 1 51 51 THR C C 51 174.400 174.400 173.584 0.816 18797 10341 1 17 . 1 1 51 51 THR CA C 51 61.820 61.820 61.254 0.566 18797 10342 1 17 . 1 1 51 51 THR H H 51 8.240 8.240 7.550 0.690 18797 10343 1 17 . 1 1 52 52 ALA CA C 52 52.000 52.000 53.027 -1.027 18797 10344 1 17 . 1 1 52 52 ALA CB C 52 18.800 18.800 19.147 -0.347 18797 10345 1 17 . 1 1 52 52 ALA H H 52 175.230 175.230 8.468 166.762 18797 10346 1 17 . 1 1 53 53 SER N N 53 113.990 113.990 117.130 -3.140 18797 10347 1 17 . 1 1 53 53 SER C C 53 175.360 175.360 173.846 1.514 18797 10348 1 17 . 1 1 53 53 SER CA C 53 58.350 58.350 57.518 0.832 18797 10349 1 17 . 1 1 53 53 SER CB C 53 62.930 62.930 64.514 -1.584 18797 10350 1 17 . 1 1 53 53 SER H H 53 8.000 8.000 8.631 -0.631 18797 10351 1 17 . 1 1 54 54 SER N N 54 113.510 113.510 120.174 -6.664 18797 10352 1 17 . 1 1 54 54 SER C C 54 173.880 173.880 174.790 -0.910 18797 10353 1 17 . 1 1 54 54 SER CA C 54 58.500 58.500 59.615 -1.115 18797 10354 1 17 . 1 1 54 54 SER CB C 54 62.960 62.960 63.315 -0.355 18797 10355 1 17 . 1 1 54 54 SER H H 54 8.050 8.050 8.820 -0.770 18797 10356 1 17 . 1 1 55 55 GLY N N 55 112.640 112.640 109.154 3.486 18797 10357 1 17 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.854 -0.654 18797 10358 1 17 . 1 1 55 55 GLY H H 55 8.140 8.140 7.854 0.286 18797 10359 1 17 . 1 1 56 56 ASP CA C 56 54.100 54.100 54.641 -0.541 18797 10360 1 17 . 1 1 56 56 ASP CB C 56 41.000 41.000 41.028 -0.028 18797 10361 1 17 . 1 1 56 56 ASP H H 56 175.600 175.600 7.803 167.797 18797 10362 1 17 . 1 1 57 57 TYR N N 57 121.140 121.140 126.251 -5.111 18797 10363 1 17 . 1 1 57 57 TYR CA C 57 57.280 57.280 58.432 -1.153 18797 10364 1 17 . 1 1 57 57 TYR CB C 57 38.400 38.400 40.150 -1.750 18797 10365 1 17 . 1 1 57 57 TYR H H 57 8.150 8.150 8.039 0.111 18797 10366 1 17 . 1 1 59 59 LYS CA C 59 55.410 55.410 56.579 -1.169 18797 10367 1 17 . 1 1 59 59 LYS CB C 59 34.220 34.220 33.150 1.070 18797 10368 1 17 . 1 1 60 60 ASN N N 60 122.740 122.740 118.124 4.616 18797 10369 1 17 . 1 1 60 60 ASN C C 60 175.260 175.260 174.685 0.575 18797 10370 1 17 . 1 1 60 60 ASN CA C 60 52.200 52.200 53.135 -0.935 18797 10371 1 17 . 1 1 60 60 ASN CB C 60 40.230 40.230 39.166 1.064 18797 10372 1 17 . 1 1 60 60 ASN H H 60 8.360 8.360 8.538 -0.178 18797 10373 1 17 . 1 1 61 61 GLN N N 61 120.450 120.450 116.590 3.860 18797 10374 1 17 . 1 1 61 61 GLN C C 61 172.500 172.500 174.354 -1.854 18797 10375 1 17 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.717 0.023 18797 10376 1 17 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.297 1.544 18797 10377 1 17 . 1 1 61 61 GLN H H 61 8.530 8.530 7.838 0.692 18797 10378 1 17 . 1 1 62 62 TYR N N 62 123.620 123.620 119.387 4.233 18797 10379 1 17 . 1 1 62 62 TYR C C 62 171.430 171.430 174.788 -3.358 18797 10380 1 17 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.952 0.888 18797 10381 1 17 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.384 -1.454 18797 10382 1 17 . 1 1 62 62 TYR H H 62 8.610 8.610 9.154 -0.544 18797 10383 1 17 . 1 1 63 63 TYR N N 63 123.920 123.920 123.368 0.552 18797 10384 1 17 . 1 1 63 63 TYR C C 63 174.280 174.280 173.850 0.430 18797 10385 1 17 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.639 -1.059 18797 10386 1 17 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.721 -1.401 18797 10387 1 17 . 1 1 63 63 TYR H H 63 8.400 8.400 8.397 0.003 18797 10388 1 17 . 1 1 64 64 GLY N N 64 107.510 107.510 113.479 -5.969 18797 10389 1 17 . 1 1 64 64 GLY C C 64 174.090 174.090 171.239 2.851 18797 10390 1 17 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.709 0.861 18797 10391 1 17 . 1 1 64 64 GLY H H 64 8.760 8.760 8.225 0.535 18797 10392 1 17 . 1 1 65 65 ILE N N 65 128.470 128.470 123.053 5.417 18797 10393 1 17 . 1 1 65 65 ILE C C 65 174.350 174.350 173.753 0.597 18797 10394 1 17 . 1 1 65 65 ILE CA C 65 59.960 59.960 58.768 1.192 18797 10395 1 17 . 1 1 65 65 ILE CB C 65 39.740 39.740 41.436 -1.696 18797 10396 1 17 . 1 1 65 65 ILE H H 65 8.900 8.900 8.265 0.635 18797 10397 1 17 . 1 1 66 66 THR N N 66 115.890 115.890 121.087 -5.197 18797 10398 1 17 . 1 1 66 66 THR C C 66 172.600 172.600 172.772 -0.172 18797 10399 1 17 . 1 1 66 66 THR CA C 66 58.670 58.670 59.134 -0.464 18797 10400 1 17 . 1 1 66 66 THR CB C 66 73.100 73.100 71.842 1.258 18797 10401 1 17 . 1 1 66 66 THR H H 66 8.900 8.900 8.275 0.625 18797 10402 1 17 . 1 1 67 67 ALA N N 67 119.730 119.730 122.671 -2.941 18797 10403 1 17 . 1 1 67 67 ALA C C 67 176.670 176.670 175.524 1.146 18797 10404 1 17 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.729 0.771 18797 10405 1 17 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.480 -0.420 18797 10406 1 17 . 1 1 67 67 ALA H H 67 9.370 9.370 8.617 0.753 18797 10407 1 17 . 1 1 68 68 GLY N N 68 104.240 104.240 107.126 -2.886 18797 10408 1 17 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.239 1.681 18797 10409 1 17 . 1 1 68 68 GLY H H 68 8.900 8.900 8.109 0.791 18797 10410 1 17 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.144 -0.104 18797 10411 1 17 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.723 -0.033 18797 10412 1 17 . 1 1 70 70 ALA N N 70 120.220 120.220 127.075 -6.855 18797 10413 1 17 . 1 1 70 70 ALA C C 70 175.590 175.590 176.064 -0.474 18797 10414 1 17 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.075 -1.585 18797 10415 1 17 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.662 0.318 18797 10416 1 17 . 1 1 70 70 ALA H H 70 7.870 7.870 8.589 -0.719 18797 10417 1 17 . 1 1 71 71 TYR N N 71 126.080 126.080 121.926 4.154 18797 10418 1 17 . 1 1 71 71 TYR C C 71 174.090 174.090 175.295 -1.205 18797 10419 1 17 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.107 -0.987 18797 10420 1 17 . 1 1 71 71 TYR CB C 71 41.920 41.920 41.861 0.059 18797 10421 1 17 . 1 1 71 71 TYR H H 71 9.780 9.780 8.957 0.823 18797 10422 1 17 . 1 1 72 72 ARG N N 72 131.410 131.410 125.408 6.002 18797 10423 1 17 . 1 1 72 72 ARG C C 72 174.160 174.160 175.220 -1.060 18797 10424 1 17 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.327 0.693 18797 10425 1 17 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.774 -1.154 18797 10426 1 17 . 1 1 72 72 ARG H H 72 8.770 8.770 8.723 0.047 18797 10427 1 17 . 1 1 73 73 ILE N N 73 129.550 129.550 126.980 2.570 18797 10428 1 17 . 1 1 73 73 ILE C C 73 175.730 175.730 175.946 -0.216 18797 10429 1 17 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.767 2.183 18797 10430 1 17 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.080 -0.570 18797 10431 1 17 . 1 1 73 73 ILE H H 73 8.400 8.400 8.289 0.111 18797 10432 1 17 . 1 1 74 74 ASN N N 74 114.870 114.870 125.502 -10.632 18797 10433 1 17 . 1 1 74 74 ASN C C 74 174.860 174.860 174.984 -0.124 18797 10434 1 17 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.831 -3.001 18797 10435 1 17 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.734 -1.894 18797 10436 1 17 . 1 1 74 74 ASN H H 74 7.920 7.920 8.671 -0.751 18797 10437 1 17 . 1 1 75 75 ASP N N 75 113.980 113.980 118.546 -4.566 18797 10438 1 17 . 1 1 75 75 ASP C C 75 175.820 175.820 177.238 -1.418 18797 10439 1 17 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.762 3.158 18797 10440 1 17 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.031 -0.801 18797 10441 1 17 . 1 1 75 75 ASP H H 75 8.320 8.320 7.892 0.428 18797 10442 1 17 . 1 1 76 76 TRP N N 76 113.600 113.600 120.623 -7.023 18797 10443 1 17 . 1 1 76 76 TRP C C 76 176.310 176.310 175.600 0.710 18797 10444 1 17 . 1 1 76 76 TRP CA C 76 55.410 55.410 57.305 -1.895 18797 10445 1 17 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.179 2.981 18797 10446 1 17 . 1 1 76 76 TRP H H 76 7.970 7.970 8.416 -0.446 18797 10447 1 17 . 1 1 77 77 ALA N N 77 125.520 125.520 121.804 3.716 18797 10448 1 17 . 1 1 77 77 ALA C C 77 175.620 175.620 177.058 -1.438 18797 10449 1 17 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.041 1.029 18797 10450 1 17 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.657 1.483 18797 10451 1 17 . 1 1 77 77 ALA H H 77 7.740 7.740 7.587 0.153 18797 10452 1 17 . 1 1 78 78 SER N N 78 114.140 114.140 116.055 -1.915 18797 10453 1 17 . 1 1 78 78 SER C C 78 170.060 170.060 174.028 -3.968 18797 10454 1 17 . 1 1 78 78 SER CA C 78 57.250 57.250 59.335 -2.085 18797 10455 1 17 . 1 1 78 78 SER CB C 78 65.320 65.320 64.343 0.978 18797 10456 1 17 . 1 1 78 78 SER H H 78 8.100 8.100 7.605 0.495 18797 10457 1 17 . 1 1 79 79 ILE N N 79 120.650 120.650 124.523 -3.873 18797 10458 1 17 . 1 1 79 79 ILE C C 79 172.470 172.470 174.971 -2.501 18797 10459 1 17 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.163 -1.712 18797 10460 1 17 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.137 0.963 18797 10461 1 17 . 1 1 79 79 ILE H H 79 8.960 8.960 8.063 0.897 18797 10462 1 17 . 1 1 80 80 TYR N N 80 120.580 120.580 124.320 -3.740 18797 10463 1 17 . 1 1 80 80 TYR C C 80 173.000 173.000 173.883 -0.883 18797 10464 1 17 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.224 0.756 18797 10465 1 17 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.473 -0.443 18797 10466 1 17 . 1 1 80 80 TYR H H 80 8.360 8.360 8.495 -0.135 18797 10467 1 17 . 1 1 81 81 GLY N N 81 106.140 106.140 108.745 -2.605 18797 10468 1 17 . 1 1 81 81 GLY C C 81 170.920 170.920 171.860 -0.940 18797 10469 1 17 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.862 0.138 18797 10470 1 17 . 1 1 81 81 GLY H H 81 8.050 8.050 8.398 -0.348 18797 10471 1 17 . 1 1 82 82 VAL N N 82 111.380 111.380 123.880 -12.500 18797 10472 1 17 . 1 1 82 82 VAL C C 82 174.370 174.370 173.386 0.984 18797 10473 1 17 . 1 1 82 82 VAL CA C 82 58.180 58.180 60.867 -2.687 18797 10474 1 17 . 1 1 82 82 VAL CB C 82 35.440 35.440 36.682 -1.242 18797 10475 1 17 . 1 1 82 82 VAL H H 82 8.490 8.490 8.626 -0.136 18797 10476 1 17 . 1 1 83 83 VAL N N 83 113.660 113.660 127.189 -13.529 18797 10477 1 17 . 1 1 83 83 VAL C C 83 174.680 174.680 173.968 0.712 18797 10478 1 17 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.132 -0.042 18797 10479 1 17 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.895 0.125 18797 10480 1 17 . 1 1 83 83 VAL H H 83 8.970 8.970 8.483 0.487 18797 10481 1 17 . 1 1 84 84 GLY N N 84 108.310 108.310 114.301 -5.991 18797 10482 1 17 . 1 1 84 84 GLY C C 84 171.440 171.440 171.409 0.031 18797 10483 1 17 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.096 2.674 18797 10484 1 17 . 1 1 84 84 GLY H H 84 8.480 8.480 8.407 0.073 18797 10485 1 17 . 1 1 85 85 VAL N N 85 122.520 122.520 119.964 2.556 18797 10486 1 17 . 1 1 85 85 VAL C C 85 172.560 172.560 174.167 -1.607 18797 10487 1 17 . 1 1 85 85 VAL CA C 85 59.170 59.170 58.884 0.286 18797 10488 1 17 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.757 1.053 18797 10489 1 17 . 1 1 85 85 VAL H H 85 8.920 8.920 8.158 0.762 18797 10490 1 17 . 1 1 86 86 GLY N N 86 113.360 113.360 115.782 -2.422 18797 10491 1 17 . 1 1 86 86 GLY C C 86 172.210 172.210 172.052 0.158 18797 10492 1 17 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.661 -0.381 18797 10493 1 17 . 1 1 86 86 GLY H H 86 8.880 8.880 8.589 0.291 18797 10494 1 17 . 1 1 87 87 TYR N N 87 123.830 123.830 119.800 4.030 18797 10495 1 17 . 1 1 87 87 TYR C C 87 174.030 174.030 173.933 0.097 18797 10496 1 17 . 1 1 87 87 TYR CA C 87 55.930 55.930 54.828 1.102 18797 10497 1 17 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.490 0.540 18797 10498 1 17 . 1 1 87 87 TYR H H 87 9.310 9.310 8.681 0.629 18797 10499 1 17 . 1 1 88 88 GLY N N 88 112.300 112.300 108.330 3.970 18797 10500 1 17 . 1 1 88 88 GLY C C 88 170.620 170.620 172.140 -1.520 18797 10501 1 17 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.614 0.786 18797 10502 1 17 . 1 1 88 88 GLY H H 88 8.000 8.000 8.471 -0.471 18797 10503 1 17 . 1 1 89 89 LYS N N 89 122.410 122.410 122.746 -0.336 18797 10504 1 17 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.382 0.098 18797 10505 1 17 . 1 1 89 89 LYS H H 89 8.230 8.230 8.131 0.099 18797 10506 1 17 . 1 1 90 90 PHE C C 90 175.190 175.190 174.367 0.823 18797 10507 1 17 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.713 -2.683 18797 10508 1 17 . 1 1 90 90 PHE CB C 90 40.510 40.510 40.783 -0.273 18797 10509 1 17 . 1 1 91 91 GLN N N 91 122.380 122.380 126.032 -3.652 18797 10510 1 17 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.353 0.977 18797 10511 1 17 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.979 -2.279 18797 10512 1 17 . 1 1 91 91 GLN H H 91 8.370 8.370 7.932 0.438 18797 10513 1 17 . 1 1 94 94 GLU N N 94 175.780 175.780 119.969 55.811 18797 10514 1 17 . 1 1 94 94 GLU CA C 94 57.030 57.030 58.652 -1.622 18797 10515 1 17 . 1 1 94 94 GLU CB C 94 29.460 29.460 28.809 0.651 18797 10516 1 17 . 1 1 95 95 TYR N N 95 120.240 120.240 117.556 2.684 18797 10517 1 17 . 1 1 95 95 TYR CA C 95 55.290 55.290 54.573 0.717 18797 10518 1 17 . 1 1 95 95 TYR CB C 95 37.730 37.730 38.854 -1.124 18797 10519 1 17 . 1 1 95 95 TYR H H 95 7.830 7.830 7.225 0.605 18797 10520 1 17 . 1 1 97 97 THR CA C 97 62.210 62.210 61.323 0.887 18797 10521 1 17 . 1 1 97 97 THR H H 97 174.320 174.320 8.354 165.966 18797 10522 1 17 . 1 1 98 98 TYR N N 98 122.540 122.540 119.830 2.710 18797 10523 1 17 . 1 1 98 98 TYR C C 98 175.000 175.000 175.409 -0.409 18797 10524 1 17 . 1 1 98 98 TYR CA C 98 57.530 57.530 58.401 -0.871 18797 10525 1 17 . 1 1 98 98 TYR CB C 98 38.350 38.350 37.608 0.742 18797 10526 1 17 . 1 1 98 98 TYR H H 98 8.040 8.040 8.116 -0.076 18797 10527 1 17 . 1 1 101 101 ASP CA C 101 54.020 54.020 54.583 -0.563 18797 10528 1 17 . 1 1 101 101 ASP CB C 101 39.700 39.700 41.708 -2.008 18797 10529 1 17 . 1 1 101 101 ASP H H 101 176.040 176.040 8.355 167.685 18797 10530 1 17 . 1 1 102 102 THR N N 102 117.650 117.650 112.631 5.019 18797 10531 1 17 . 1 1 102 102 THR C C 102 173.840 173.840 173.466 0.374 18797 10532 1 17 . 1 1 102 102 THR CA C 102 61.590 61.590 60.964 0.626 18797 10533 1 17 . 1 1 102 102 THR CB C 102 69.970 69.970 71.814 -1.844 18797 10534 1 17 . 1 1 102 102 THR H H 102 8.520 8.520 8.160 0.360 18797 10535 1 17 . 1 1 103 103 SER N N 103 119.470 119.470 118.073 1.397 18797 10536 1 17 . 1 1 103 103 SER C C 103 173.580 173.580 173.022 0.558 18797 10537 1 17 . 1 1 103 103 SER CA C 103 57.310 57.310 57.393 -0.083 18797 10538 1 17 . 1 1 103 103 SER H H 103 8.240 8.240 8.408 -0.168 18797 10539 1 17 . 1 1 104 104 ASP N N 104 122.250 122.250 122.928 -0.678 18797 10540 1 17 . 1 1 104 104 ASP C C 104 173.100 173.100 173.977 -0.877 18797 10541 1 17 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.652 -0.052 18797 10542 1 17 . 1 1 104 104 ASP CB C 104 44.060 44.060 43.434 0.626 18797 10543 1 17 . 1 1 104 104 ASP H H 104 8.270 8.270 8.301 -0.031 18797 10544 1 17 . 1 1 105 105 TYR N N 105 116.040 116.040 120.911 -4.871 18797 10545 1 17 . 1 1 105 105 TYR C C 105 175.860 175.860 175.899 -0.039 18797 10546 1 17 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.372 -0.822 18797 10547 1 17 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.908 -0.278 18797 10548 1 17 . 1 1 105 105 TYR H H 105 8.560 8.560 8.456 0.104 18797 10549 1 17 . 1 1 106 106 GLY N N 106 108.500 108.500 108.253 0.247 18797 10550 1 17 . 1 1 106 106 GLY C C 106 172.030 172.030 171.907 0.123 18797 10551 1 17 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.259 0.231 18797 10552 1 17 . 1 1 106 106 GLY H H 106 9.190 9.190 8.567 0.623 18797 10553 1 17 . 1 1 107 107 PHE N N 107 121.420 121.420 119.521 1.899 18797 10554 1 17 . 1 1 107 107 PHE C C 107 175.430 175.430 175.426 0.004 18797 10555 1 17 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.303 1.237 18797 10556 1 17 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.039 -0.839 18797 10557 1 17 . 1 1 107 107 PHE H H 107 8.860 8.860 8.741 0.119 18797 10558 1 17 . 1 1 108 108 SER N N 108 123.250 123.250 118.385 4.865 18797 10559 1 17 . 1 1 108 108 SER C C 108 171.430 171.430 173.184 -1.754 18797 10560 1 17 . 1 1 108 108 SER CA C 108 56.100 56.100 56.237 -0.137 18797 10561 1 17 . 1 1 108 108 SER CB C 108 65.720 65.720 65.251 0.469 18797 10562 1 17 . 1 1 108 108 SER H H 108 8.110 8.110 8.612 -0.502 18797 10563 1 17 . 1 1 109 109 TYR N N 109 117.840 117.840 122.177 -4.337 18797 10564 1 17 . 1 1 109 109 TYR C C 109 173.560 173.560 175.377 -1.817 18797 10565 1 17 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.437 -1.117 18797 10566 1 17 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.655 -3.095 18797 10567 1 17 . 1 1 109 109 TYR H H 109 8.480 8.480 8.365 0.115 18797 10568 1 17 . 1 1 110 110 GLY N N 110 106.400 106.400 108.021 -1.621 18797 10569 1 17 . 1 1 110 110 GLY C C 110 171.350 171.350 171.575 -0.225 18797 10570 1 17 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.451 1.709 18797 10571 1 17 . 1 1 110 110 GLY H H 110 8.980 8.980 8.820 0.160 18797 10572 1 17 . 1 1 111 111 ALA N N 111 119.140 119.140 120.615 -1.475 18797 10573 1 17 . 1 1 111 111 ALA C C 111 174.640 174.640 174.934 -0.294 18797 10574 1 17 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.579 0.391 18797 10575 1 17 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.808 -0.658 18797 10576 1 17 . 1 1 111 111 ALA H H 111 8.390 8.390 8.123 0.267 18797 10577 1 17 . 1 1 112 112 GLY N N 112 106.070 106.070 106.817 -0.747 18797 10578 1 17 . 1 1 112 112 GLY C C 112 169.770 169.770 171.372 -1.602 18797 10579 1 17 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.311 0.959 18797 10580 1 17 . 1 1 112 112 GLY H H 112 7.820 7.820 7.517 0.303 18797 10581 1 17 . 1 1 113 113 LEU N N 113 116.370 116.370 120.458 -4.088 18797 10582 1 17 . 1 1 113 113 LEU C C 113 175.090 175.090 174.867 0.223 18797 10583 1 17 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.050 -0.360 18797 10584 1 17 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.605 -0.045 18797 10585 1 17 . 1 1 113 113 LEU H H 113 8.930 8.930 8.454 0.476 18797 10586 1 17 . 1 1 114 114 GLN N N 114 115.860 115.860 123.686 -7.826 18797 10587 1 17 . 1 1 114 114 GLN C C 114 176.910 176.910 174.406 2.504 18797 10588 1 17 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.185 -0.455 18797 10589 1 17 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.746 0.544 18797 10590 1 17 . 1 1 114 114 GLN H H 114 7.860 7.860 8.637 -0.777 18797 10591 1 17 . 1 1 115 115 PHE N N 115 126.580 126.580 122.496 4.084 18797 10592 1 17 . 1 1 115 115 PHE C C 115 175.740 175.740 172.492 3.248 18797 10593 1 17 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.533 -1.333 18797 10594 1 17 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.927 1.443 18797 10595 1 17 . 1 1 115 115 PHE H H 115 9.750 9.750 8.405 1.345 18797 10596 1 17 . 1 1 116 116 ASN N N 116 119.920 119.920 119.112 0.808 18797 10597 1 17 . 1 1 116 116 ASN CA C 116 51.200 51.200 49.735 1.465 18797 10598 1 17 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.343 0.307 18797 10599 1 17 . 1 1 116 116 ASN H H 116 9.450 9.450 8.176 1.274 18797 10600 1 17 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.456 2.244 18797 10601 1 17 . 1 1 118 118 MET N N 118 110.530 110.530 118.829 -8.299 18797 10602 1 17 . 1 1 118 118 MET C C 118 176.130 176.130 177.067 -0.937 18797 10603 1 17 . 1 1 118 118 MET CA C 118 53.980 53.980 56.642 -2.662 18797 10604 1 17 . 1 1 118 118 MET CB C 118 36.310 36.310 32.584 3.726 18797 10605 1 17 . 1 1 118 118 MET H H 118 7.310 7.310 8.162 -0.852 18797 10606 1 17 . 1 1 119 119 GLU N N 119 120.320 120.320 119.287 1.033 18797 10607 1 17 . 1 1 119 119 GLU C C 119 176.810 176.810 177.012 -0.202 18797 10608 1 17 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.504 2.096 18797 10609 1 17 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.651 -0.501 18797 10610 1 17 . 1 1 119 119 GLU H H 119 9.120 9.120 8.975 0.145 18797 10611 1 17 . 1 1 120 120 ASN N N 120 112.490 112.490 117.548 -5.058 18797 10612 1 17 . 1 1 120 120 ASN C C 120 174.080 174.080 176.262 -2.182 18797 10613 1 17 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.478 -2.078 18797 10614 1 17 . 1 1 120 120 ASN CB C 120 38.830 38.830 37.725 1.105 18797 10615 1 17 . 1 1 120 120 ASN H H 120 8.430 8.430 8.614 -0.184 18797 10616 1 17 . 1 1 121 121 VAL N N 121 117.760 117.760 119.081 -1.321 18797 10617 1 17 . 1 1 121 121 VAL C C 121 174.750 174.750 175.366 -0.616 18797 10618 1 17 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.762 -2.072 18797 10619 1 17 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.762 5.138 18797 10620 1 17 . 1 1 121 121 VAL H H 121 7.500 7.500 7.296 0.204 18797 10621 1 17 . 1 1 122 122 ALA N N 122 127.190 127.190 123.392 3.798 18797 10622 1 17 . 1 1 122 122 ALA C C 122 175.140 175.140 175.033 0.107 18797 10623 1 17 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.742 -1.352 18797 10624 1 17 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.944 0.876 18797 10625 1 17 . 1 1 122 122 ALA H H 122 8.230 8.230 7.231 0.999 18797 10626 1 17 . 1 1 123 123 LEU N N 123 120.270 120.270 122.116 -1.846 18797 10627 1 17 . 1 1 123 123 LEU C C 123 174.310 174.310 174.949 -0.639 18797 10628 1 17 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.708 -0.048 18797 10629 1 17 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.041 -1.531 18797 10630 1 17 . 1 1 123 123 LEU H H 123 8.910 8.910 7.853 1.057 18797 10631 1 17 . 1 1 124 124 ASP N N 124 127.350 127.350 118.376 8.974 18797 10632 1 17 . 1 1 124 124 ASP C C 124 171.830 171.830 174.539 -2.709 18797 10633 1 17 . 1 1 124 124 ASP CA C 124 53.820 53.820 51.974 1.846 18797 10634 1 17 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.096 3.394 18797 10635 1 17 . 1 1 124 124 ASP H H 124 8.580 8.580 8.226 0.354 18797 10636 1 17 . 1 1 125 125 PHE N N 125 123.390 123.390 119.214 4.176 18797 10637 1 17 . 1 1 125 125 PHE C C 125 174.130 174.130 174.895 -0.765 18797 10638 1 17 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.584 -0.924 18797 10639 1 17 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.032 -0.333 18797 10640 1 17 . 1 1 125 125 PHE H H 125 8.670 8.670 8.424 0.246 18797 10641 1 17 . 1 1 126 126 SER N N 126 118.680 118.680 117.296 1.384 18797 10642 1 17 . 1 1 126 126 SER C C 126 169.980 169.980 172.363 -2.383 18797 10643 1 17 . 1 1 126 126 SER CA C 126 58.120 58.120 57.031 1.089 18797 10644 1 17 . 1 1 126 126 SER CB C 126 66.950 66.950 66.321 0.629 18797 10645 1 17 . 1 1 126 126 SER H H 126 9.390 9.390 8.640 0.750 18797 10646 1 17 . 1 1 127 127 TYR N N 127 119.080 119.080 124.447 -5.367 18797 10647 1 17 . 1 1 127 127 TYR C C 127 174.390 174.390 173.576 0.814 18797 10648 1 17 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.509 -1.069 18797 10649 1 17 . 1 1 127 127 TYR CB C 127 43.100 43.100 42.653 0.447 18797 10650 1 17 . 1 1 127 127 TYR H H 127 8.610 8.610 8.721 -0.111 18797 10651 1 17 . 1 1 128 128 GLU N N 128 130.070 130.070 124.944 5.126 18797 10652 1 17 . 1 1 128 128 GLU C C 128 172.590 172.590 174.257 -1.667 18797 10653 1 17 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.296 -0.166 18797 10654 1 17 . 1 1 128 128 GLU CB C 128 33.500 33.500 34.300 -0.799 18797 10655 1 17 . 1 1 128 128 GLU H H 128 8.510 8.510 8.322 0.188 18797 10656 1 17 . 1 1 129 129 GLN N N 129 128.670 128.670 123.336 5.334 18797 10657 1 17 . 1 1 129 129 GLN C C 129 173.690 173.690 174.221 -0.531 18797 10658 1 17 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.148 -0.938 18797 10659 1 17 . 1 1 129 129 GLN CB C 129 31.050 31.050 33.154 -2.104 18797 10660 1 17 . 1 1 129 129 GLN H H 129 9.330 9.330 8.867 0.463 18797 10661 1 17 . 1 1 130 130 SER N N 130 118.630 118.630 120.225 -1.595 18797 10662 1 17 . 1 1 130 130 SER C C 130 174.210 174.210 174.039 0.171 18797 10663 1 17 . 1 1 130 130 SER CA C 130 56.450 56.450 56.495 -0.045 18797 10664 1 17 . 1 1 130 130 SER CB C 130 66.260 66.260 64.894 1.366 18797 10665 1 17 . 1 1 130 130 SER H H 130 8.580 8.580 8.113 0.467 18797 10666 1 17 . 1 1 131 131 ARG N N 131 126.850 126.850 126.548 0.302 18797 10667 1 17 . 1 1 131 131 ARG C C 131 174.740 174.740 176.164 -1.424 18797 10668 1 17 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.548 -0.208 18797 10669 1 17 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.809 -0.899 18797 10670 1 17 . 1 1 131 131 ARG H H 131 7.690 7.690 8.798 -1.108 18797 10671 1 17 . 1 1 132 132 ILE N N 132 129.470 129.470 126.789 2.681 18797 10672 1 17 . 1 1 132 132 ILE C C 132 175.500 175.500 176.398 -0.898 18797 10673 1 17 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.688 -2.798 18797 10674 1 17 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.435 0.885 18797 10675 1 17 . 1 1 132 132 ILE H H 132 8.730 8.730 8.753 -0.023 18797 10676 1 17 . 1 1 133 133 ARG N N 133 127.220 127.220 128.339 -1.119 18797 10677 1 17 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.562 2.548 18797 10678 1 17 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.027 -3.707 18797 10679 1 17 . 1 1 133 133 ARG H H 133 9.400 9.400 8.295 1.105 18797 10680 1 17 . 1 1 134 134 SER C C 134 173.290 173.290 173.650 -0.360 18797 10681 1 17 . 1 1 134 134 SER CA C 134 58.490 58.490 60.207 -1.717 18797 10682 1 17 . 1 1 134 134 SER CB C 134 62.860 62.860 63.063 -0.203 18797 10683 1 17 . 1 1 135 135 VAL N N 135 124.810 124.810 121.357 3.453 18797 10684 1 17 . 1 1 135 135 VAL C C 135 174.650 174.650 174.601 0.049 18797 10685 1 17 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.061 0.809 18797 10686 1 17 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.764 -2.704 18797 10687 1 17 . 1 1 135 135 VAL H H 135 8.270 8.270 7.281 0.989 18797 10688 1 17 . 1 1 136 136 ASP N N 136 127.750 127.750 125.685 2.065 18797 10689 1 17 . 1 1 136 136 ASP C C 136 175.130 175.130 175.533 -0.403 18797 10690 1 17 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.675 1.545 18797 10691 1 17 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.014 -1.264 18797 10692 1 17 . 1 1 136 136 ASP H H 136 8.010 8.010 8.383 -0.373 18797 10693 1 17 . 1 1 137 137 VAL N N 137 124.520 124.520 120.844 3.676 18797 10694 1 17 . 1 1 137 137 VAL C C 137 174.690 174.690 175.703 -1.013 18797 10695 1 17 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.973 -0.523 18797 10696 1 17 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.065 -0.265 18797 10697 1 17 . 1 1 137 137 VAL H H 137 8.720 8.720 7.806 0.914 18797 10698 1 17 . 1 1 138 138 GLY N N 138 116.920 116.920 114.336 2.584 18797 10699 1 17 . 1 1 138 138 GLY C C 138 172.930 172.930 172.483 0.447 18797 10700 1 17 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.369 0.111 18797 10701 1 17 . 1 1 138 138 GLY H H 138 8.240 8.240 8.514 -0.274 18797 10702 1 17 . 1 1 139 139 THR N N 139 125.070 125.070 122.020 3.050 18797 10703 1 17 . 1 1 139 139 THR C C 139 171.920 171.920 173.159 -1.239 18797 10704 1 17 . 1 1 139 139 THR CA C 139 60.890 60.890 61.148 -0.258 18797 10705 1 17 . 1 1 139 139 THR CB C 139 70.290 70.290 71.805 -1.515 18797 10706 1 17 . 1 1 139 139 THR H H 139 8.710 8.710 7.811 0.899 18797 10707 1 17 . 1 1 140 140 TRP N N 140 125.840 125.840 125.878 -0.038 18797 10708 1 17 . 1 1 140 140 TRP C C 140 175.070 175.070 173.931 1.139 18797 10709 1 17 . 1 1 140 140 TRP CA C 140 55.130 55.130 54.492 0.638 18797 10710 1 17 . 1 1 140 140 TRP CB C 140 32.100 32.100 31.360 0.740 18797 10711 1 17 . 1 1 140 140 TRP H H 140 8.330 8.330 7.753 0.577 18797 10712 1 17 . 1 1 141 141 ILE N N 141 123.240 123.240 122.803 0.437 18797 10713 1 17 . 1 1 141 141 ILE C C 141 174.870 174.870 174.559 0.311 18797 10714 1 17 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.607 0.783 18797 10715 1 17 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.739 -1.109 18797 10716 1 17 . 1 1 141 141 ILE H H 141 8.980 8.980 8.844 0.136 18797 10717 1 17 . 1 1 142 142 ALA N N 142 127.680 127.680 127.762 -0.082 18797 10718 1 17 . 1 1 142 142 ALA C C 142 175.700 175.700 175.528 0.172 18797 10719 1 17 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.086 0.445 18797 10720 1 17 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.208 0.002 18797 10721 1 17 . 1 1 142 142 ALA H H 142 8.350 8.350 8.310 0.040 18797 10722 1 17 . 1 1 143 143 GLY N N 143 109.030 109.030 109.720 -0.690 18797 10723 1 17 . 1 1 143 143 GLY C C 143 172.090 172.090 171.770 0.320 18797 10724 1 17 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.204 1.226 18797 10725 1 17 . 1 1 143 143 GLY H H 143 9.520 9.520 8.084 1.436 18797 10726 1 17 . 1 1 144 144 VAL N N 144 114.110 114.110 116.438 -2.328 18797 10727 1 17 . 1 1 144 144 VAL C C 144 174.010 174.010 174.444 -0.434 18797 10728 1 17 . 1 1 144 144 VAL CA C 144 58.270 58.270 57.978 0.292 18797 10729 1 17 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.517 0.973 18797 10730 1 17 . 1 1 144 144 VAL H H 144 8.750 8.750 8.429 0.321 18797 10731 1 17 . 1 1 145 145 GLY N N 145 107.360 107.360 110.352 -2.992 18797 10732 1 17 . 1 1 145 145 GLY C C 145 171.210 171.210 171.659 -0.449 18797 10733 1 17 . 1 1 145 145 GLY CA C 145 46.770 46.770 45.003 1.767 18797 10734 1 17 . 1 1 145 145 GLY H H 145 8.590 8.590 8.571 0.019 18797 10735 1 17 . 1 1 146 146 TYR N N 146 121.960 121.960 115.351 6.609 18797 10736 1 17 . 1 1 146 146 TYR C C 146 172.440 172.440 173.693 -1.253 18797 10737 1 17 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.229 0.021 18797 10738 1 17 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.231 3.039 18797 10739 1 17 . 1 1 146 146 TYR H H 146 8.370 8.370 7.745 0.625 18797 10740 1 17 . 1 1 147 147 ARG N N 147 129.590 129.590 119.296 10.294 18797 10741 1 17 . 1 1 147 147 ARG C C 147 173.850 173.850 175.939 -2.089 18797 10742 1 17 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.443 -1.083 18797 10743 1 17 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.289 -0.869 18797 10744 1 17 . 1 1 147 147 ARG H H 147 7.690 7.690 8.453 -0.763 18797 10745 1 18 . 1 1 2 2 THR N N 2 114.280 114.280 111.605 2.675 18797 10746 1 18 . 1 1 2 2 THR C C 2 173.570 173.570 173.116 0.454 18797 10747 1 18 . 1 1 2 2 THR CA C 2 61.040 61.040 62.809 -1.769 18797 10748 1 18 . 1 1 2 2 THR CB C 2 71.930 71.930 70.519 1.411 18797 10749 1 18 . 1 1 2 2 THR H H 2 8.490 8.490 8.128 0.362 18797 10750 1 18 . 1 1 3 3 SER N N 3 122.430 122.430 116.766 5.664 18797 10751 1 18 . 1 1 3 3 SER C C 3 172.590 172.590 172.394 0.196 18797 10752 1 18 . 1 1 3 3 SER CA C 3 56.760 56.760 56.957 -0.197 18797 10753 1 18 . 1 1 3 3 SER CB C 3 65.480 65.480 64.925 0.555 18797 10754 1 18 . 1 1 3 3 SER H H 3 9.000 9.000 7.869 1.131 18797 10755 1 18 . 1 1 4 4 THR N N 4 117.240 117.240 121.240 -4.000 18797 10756 1 18 . 1 1 4 4 THR C C 4 174.640 174.640 172.916 1.724 18797 10757 1 18 . 1 1 4 4 THR CA C 4 61.390 61.390 61.349 0.041 18797 10758 1 18 . 1 1 4 4 THR CB C 4 70.680 70.680 71.561 -0.881 18797 10759 1 18 . 1 1 4 4 THR H H 4 8.610 8.610 7.929 0.681 18797 10760 1 18 . 1 1 5 5 VAL N N 5 129.440 129.440 125.720 3.720 18797 10761 1 18 . 1 1 5 5 VAL C C 5 174.770 174.770 174.709 0.061 18797 10762 1 18 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.376 -0.616 18797 10763 1 18 . 1 1 5 5 VAL CB C 5 33.490 33.490 34.138 -0.648 18797 10764 1 18 . 1 1 5 5 VAL H H 5 8.750 8.750 7.845 0.905 18797 10765 1 18 . 1 1 6 6 THR N N 6 116.430 116.430 122.659 -6.229 18797 10766 1 18 . 1 1 6 6 THR C C 6 172.930 172.930 173.107 -0.177 18797 10767 1 18 . 1 1 6 6 THR CA C 6 58.590 58.590 60.823 -2.233 18797 10768 1 18 . 1 1 6 6 THR CB C 6 70.930 70.930 71.714 -0.784 18797 10769 1 18 . 1 1 6 6 THR H H 6 8.890 8.890 8.047 0.843 18797 10770 1 18 . 1 1 7 7 GLY N N 7 105.590 105.590 110.358 -4.768 18797 10771 1 18 . 1 1 7 7 GLY C C 7 172.430 172.430 172.140 0.290 18797 10772 1 18 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.629 0.691 18797 10773 1 18 . 1 1 7 7 GLY H H 7 8.760 8.760 8.566 0.194 18797 10774 1 18 . 1 1 8 8 GLY N N 8 106.530 106.530 109.671 -3.141 18797 10775 1 18 . 1 1 8 8 GLY C C 8 173.030 173.030 171.329 1.701 18797 10776 1 18 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.993 0.937 18797 10777 1 18 . 1 1 8 8 GLY H H 8 9.100 9.100 7.647 1.453 18797 10778 1 18 . 1 1 9 9 TYR N N 9 121.730 121.730 120.214 1.516 18797 10779 1 18 . 1 1 9 9 TYR C C 9 172.390 172.390 173.070 -0.680 18797 10780 1 18 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.105 0.735 18797 10781 1 18 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.850 -1.770 18797 10782 1 18 . 1 1 9 9 TYR H H 9 8.410 8.410 8.279 0.131 18797 10783 1 18 . 1 1 10 10 ALA N N 10 128.460 128.460 126.563 1.897 18797 10784 1 18 . 1 1 10 10 ALA C C 10 174.020 174.020 174.763 -0.743 18797 10785 1 18 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.438 -1.228 18797 10786 1 18 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.833 -0.613 18797 10787 1 18 . 1 1 10 10 ALA H H 10 6.910 6.910 8.201 -1.291 18797 10788 1 18 . 1 1 11 11 GLN N N 11 118.830 118.830 120.644 -1.814 18797 10789 1 18 . 1 1 11 11 GLN C C 11 175.650 175.650 175.024 0.626 18797 10790 1 18 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.503 0.327 18797 10791 1 18 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.431 -0.371 18797 10792 1 18 . 1 1 11 11 GLN H H 11 8.100 8.100 8.485 -0.385 18797 10793 1 18 . 1 1 12 12 SER N N 12 124.200 124.200 118.344 5.856 18797 10794 1 18 . 1 1 12 12 SER C C 12 172.710 172.710 173.880 -1.170 18797 10795 1 18 . 1 1 12 12 SER CA C 12 57.190 57.190 56.090 1.100 18797 10796 1 18 . 1 1 12 12 SER CB C 12 64.180 64.180 65.621 -1.441 18797 10797 1 18 . 1 1 12 12 SER H H 12 9.160 9.160 8.508 0.652 18797 10798 1 18 . 1 1 13 13 ASP N N 13 124.950 124.950 127.706 -2.756 18797 10799 1 18 . 1 1 13 13 ASP C C 13 174.860 174.860 174.975 -0.115 18797 10800 1 18 . 1 1 13 13 ASP CA C 13 52.960 52.960 54.188 -1.228 18797 10801 1 18 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.576 0.344 18797 10802 1 18 . 1 1 13 13 ASP H H 13 9.070 9.070 8.157 0.913 18797 10803 1 18 . 1 1 14 14 ALA N N 14 128.730 128.730 127.901 0.829 18797 10804 1 18 . 1 1 14 14 ALA C C 14 176.230 176.230 176.939 -0.709 18797 10805 1 18 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.772 -1.962 18797 10806 1 18 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.300 -0.801 18797 10807 1 18 . 1 1 14 14 ALA H H 14 8.560 8.560 8.300 0.260 18797 10808 1 18 . 1 1 15 15 GLN N N 15 122.750 122.750 122.386 0.364 18797 10809 1 18 . 1 1 15 15 GLN C C 15 176.660 176.660 176.330 0.330 18797 10810 1 18 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.762 2.358 18797 10811 1 18 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.223 -2.063 18797 10812 1 18 . 1 1 15 15 GLN H H 15 8.340 8.340 8.615 -0.275 18797 10813 1 18 . 1 1 16 16 GLY N N 16 112.800 112.800 108.451 4.349 18797 10814 1 18 . 1 1 16 16 GLY C C 16 174.400 174.400 173.924 0.476 18797 10815 1 18 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.468 -0.288 18797 10816 1 18 . 1 1 16 16 GLY H H 16 8.650 8.650 8.309 0.341 18797 10817 1 18 . 1 1 17 17 GLN N N 17 119.300 119.300 117.602 1.698 18797 10818 1 18 . 1 1 17 17 GLN C C 17 175.720 175.720 174.545 1.175 18797 10819 1 18 . 1 1 17 17 GLN CA C 17 54.600 54.600 57.074 -2.474 18797 10820 1 18 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.323 5.477 18797 10821 1 18 . 1 1 17 17 GLN H H 17 8.080 8.080 8.676 -0.596 18797 10822 1 18 . 1 1 18 18 MET N N 18 120.170 120.170 114.416 5.754 18797 10823 1 18 . 1 1 18 18 MET C C 18 175.400 175.400 174.390 1.010 18797 10824 1 18 . 1 1 18 18 MET CA C 18 55.980 55.980 54.462 1.518 18797 10825 1 18 . 1 1 18 18 MET CB C 18 35.590 35.590 36.194 -0.604 18797 10826 1 18 . 1 1 18 18 MET H H 18 8.370 8.370 7.709 0.661 18797 10827 1 18 . 1 1 19 19 ASN N N 19 117.900 117.900 119.940 -2.040 18797 10828 1 18 . 1 1 19 19 ASN C C 19 174.400 174.400 174.857 -0.457 18797 10829 1 18 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.258 0.042 18797 10830 1 18 . 1 1 19 19 ASN CB C 19 39.400 39.400 40.214 -0.814 18797 10831 1 18 . 1 1 19 19 ASN H H 19 7.990 7.990 8.489 -0.499 18797 10832 1 18 . 1 1 20 20 LYS N N 20 120.800 120.800 123.851 -3.051 18797 10833 1 18 . 1 1 20 20 LYS C C 20 176.410 176.410 175.647 0.763 18797 10834 1 18 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.710 -1.010 18797 10835 1 18 . 1 1 20 20 LYS CB C 20 31.900 31.900 32.853 -0.953 18797 10836 1 18 . 1 1 20 20 LYS H H 20 8.340 8.340 8.575 -0.235 18797 10837 1 18 . 1 1 21 21 MET N N 21 120.500 120.500 118.220 2.280 18797 10838 1 18 . 1 1 21 21 MET C C 21 175.270 175.270 175.244 0.026 18797 10839 1 18 . 1 1 21 21 MET CA C 21 54.800 54.800 54.933 -0.133 18797 10840 1 18 . 1 1 21 21 MET CB C 21 34.730 34.730 37.481 -2.751 18797 10841 1 18 . 1 1 21 21 MET H H 21 8.580 8.580 7.783 0.797 18797 10842 1 18 . 1 1 22 22 GLY N N 22 111.280 111.280 107.552 3.728 18797 10843 1 18 . 1 1 22 22 GLY C C 22 174.030 174.030 172.015 2.015 18797 10844 1 18 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.792 0.018 18797 10845 1 18 . 1 1 22 22 GLY H H 22 8.430 8.430 8.197 0.233 18797 10846 1 18 . 1 1 23 23 GLY N N 23 120.170 120.170 108.110 12.060 18797 10847 1 18 . 1 1 23 23 GLY C C 23 171.850 171.850 171.269 0.581 18797 10848 1 18 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.746 2.404 18797 10849 1 18 . 1 1 23 23 GLY H H 23 8.180 8.180 7.605 0.575 18797 10850 1 18 . 1 1 24 24 PHE N N 24 121.370 121.370 122.834 -1.464 18797 10851 1 18 . 1 1 24 24 PHE C C 24 171.570 171.570 173.428 -1.858 18797 10852 1 18 . 1 1 24 24 PHE CA C 24 54.730 54.730 55.261 -0.531 18797 10853 1 18 . 1 1 24 24 PHE CB C 24 43.510 43.510 43.025 0.485 18797 10854 1 18 . 1 1 24 24 PHE H H 24 9.230 9.230 7.731 1.499 18797 10855 1 18 . 1 1 25 25 ASN N N 25 118.950 118.950 123.143 -4.193 18797 10856 1 18 . 1 1 25 25 ASN C C 25 172.080 172.080 173.323 -1.243 18797 10857 1 18 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.214 -0.344 18797 10858 1 18 . 1 1 25 25 ASN CB C 25 46.450 46.450 41.649 4.801 18797 10859 1 18 . 1 1 25 25 ASN H H 25 8.520 8.520 7.653 0.867 18797 10860 1 18 . 1 1 26 26 LEU N N 26 126.150 126.150 120.155 5.995 18797 10861 1 18 . 1 1 26 26 LEU C C 26 175.620 175.620 175.683 -0.063 18797 10862 1 18 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.947 -0.457 18797 10863 1 18 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.106 1.524 18797 10864 1 18 . 1 1 26 26 LEU H H 26 9.340 9.340 8.304 1.036 18797 10865 1 18 . 1 1 27 27 LYS N N 27 117.980 117.980 121.937 -3.957 18797 10866 1 18 . 1 1 27 27 LYS C C 27 175.120 175.120 174.880 0.240 18797 10867 1 18 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.137 1.053 18797 10868 1 18 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.269 0.301 18797 10869 1 18 . 1 1 27 27 LYS H H 27 8.850 8.850 8.470 0.380 18797 10870 1 18 . 1 1 28 28 TYR N N 28 120.820 120.820 121.088 -0.268 18797 10871 1 18 . 1 1 28 28 TYR C C 28 172.480 172.480 173.300 -0.820 18797 10872 1 18 . 1 1 28 28 TYR CA C 28 56.280 56.280 55.071 1.209 18797 10873 1 18 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.344 -0.444 18797 10874 1 18 . 1 1 28 28 TYR H H 28 8.430 8.430 8.484 -0.054 18797 10875 1 18 . 1 1 29 29 ARG N N 29 129.660 129.660 121.266 8.394 18797 10876 1 18 . 1 1 29 29 ARG C C 29 172.780 172.780 173.877 -1.097 18797 10877 1 18 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.212 -1.212 18797 10878 1 18 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.933 -0.923 18797 10879 1 18 . 1 1 29 29 ARG H H 29 8.670 8.670 8.019 0.651 18797 10880 1 18 . 1 1 30 30 TYR N N 30 127.210 127.210 122.117 5.093 18797 10881 1 18 . 1 1 30 30 TYR C C 30 175.000 175.000 175.746 -0.746 18797 10882 1 18 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.752 0.078 18797 10883 1 18 . 1 1 30 30 TYR CB C 30 42.140 42.140 41.044 1.095 18797 10884 1 18 . 1 1 30 30 TYR H H 30 8.930 8.930 8.484 0.446 18797 10885 1 18 . 1 1 31 31 GLU N N 31 128.090 128.090 123.681 4.409 18797 10886 1 18 . 1 1 31 31 GLU C C 31 174.250 174.250 175.963 -1.713 18797 10887 1 18 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.688 -1.058 18797 10888 1 18 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.946 1.544 18797 10889 1 18 . 1 1 31 31 GLU H H 31 8.170 8.170 8.351 -0.181 18797 10890 1 18 . 1 1 32 32 GLU N N 32 122.610 122.610 124.806 -2.196 18797 10891 1 18 . 1 1 32 32 GLU C C 32 176.920 176.920 174.972 1.948 18797 10892 1 18 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.194 -0.624 18797 10893 1 18 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.609 -1.839 18797 10894 1 18 . 1 1 32 32 GLU H H 32 9.120 9.120 8.458 0.662 18797 10895 1 18 . 1 1 33 33 ASP N N 33 121.920 121.920 120.904 1.016 18797 10896 1 18 . 1 1 33 33 ASP C C 33 176.990 176.990 176.646 0.344 18797 10897 1 18 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.773 2.097 18797 10898 1 18 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.762 -1.492 18797 10899 1 18 . 1 1 33 33 ASP H H 33 8.600 8.600 8.439 0.161 18797 10900 1 18 . 1 1 34 34 ASN N N 34 115.300 115.300 117.460 -2.160 18797 10901 1 18 . 1 1 34 34 ASN C C 34 174.280 174.280 176.256 -1.976 18797 10902 1 18 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.217 -1.857 18797 10903 1 18 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.749 -0.799 18797 10904 1 18 . 1 1 34 34 ASN H H 34 8.420 8.420 8.547 -0.127 18797 10905 1 18 . 1 1 35 35 SER N N 35 112.970 112.970 113.534 -0.564 18797 10906 1 18 . 1 1 35 35 SER CA C 35 54.260 54.260 58.584 -4.324 18797 10907 1 18 . 1 1 35 35 SER CB C 35 64.920 64.920 63.123 1.796 18797 10908 1 18 . 1 1 35 35 SER H H 35 7.270 7.270 8.070 -0.800 18797 10909 1 18 . 1 1 36 36 PRO CA C 36 63.360 63.360 61.978 1.382 18797 10910 1 18 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.532 -1.062 18797 10911 1 18 . 1 1 37 37 LEU N N 37 123.000 123.000 123.075 -0.075 18797 10912 1 18 . 1 1 37 37 LEU C C 37 176.300 176.300 177.453 -1.153 18797 10913 1 18 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.431 -0.591 18797 10914 1 18 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.639 1.051 18797 10915 1 18 . 1 1 37 37 LEU H H 37 7.910 7.910 8.326 -0.416 18797 10916 1 18 . 1 1 38 38 GLY N N 38 117.320 117.320 108.806 8.514 18797 10917 1 18 . 1 1 38 38 GLY C C 38 172.340 172.340 173.214 -0.874 18797 10918 1 18 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.312 0.118 18797 10919 1 18 . 1 1 38 38 GLY H H 38 9.110 9.110 7.937 1.173 18797 10920 1 18 . 1 1 39 39 VAL N N 39 116.550 116.550 125.843 -9.293 18797 10921 1 18 . 1 1 39 39 VAL C C 39 171.720 171.720 175.496 -3.776 18797 10922 1 18 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.552 -2.552 18797 10923 1 18 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.984 2.626 18797 10924 1 18 . 1 1 39 39 VAL H H 39 7.980 7.980 7.944 0.036 18797 10925 1 18 . 1 1 40 40 ILE N N 40 125.640 125.640 121.819 3.821 18797 10926 1 18 . 1 1 40 40 ILE C C 40 171.600 171.600 174.164 -2.564 18797 10927 1 18 . 1 1 40 40 ILE CA C 40 58.540 58.540 57.920 0.620 18797 10928 1 18 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.559 2.571 18797 10929 1 18 . 1 1 40 40 ILE H H 40 9.160 9.160 8.256 0.904 18797 10930 1 18 . 1 1 41 41 GLY N N 41 111.830 111.830 109.341 2.489 18797 10931 1 18 . 1 1 41 41 GLY C C 41 172.000 172.000 171.875 0.125 18797 10932 1 18 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.134 -0.984 18797 10933 1 18 . 1 1 41 41 GLY H H 41 8.930 8.930 7.470 1.460 18797 10934 1 18 . 1 1 42 42 SER N N 42 116.940 116.940 115.740 1.200 18797 10935 1 18 . 1 1 42 42 SER C C 42 172.100 172.100 172.504 -0.404 18797 10936 1 18 . 1 1 42 42 SER CA C 42 56.220 56.220 56.273 -0.053 18797 10937 1 18 . 1 1 42 42 SER CB C 42 62.920 62.920 66.485 -3.565 18797 10938 1 18 . 1 1 42 42 SER H H 42 9.190 9.190 8.216 0.974 18797 10939 1 18 . 1 1 43 43 PHE N N 43 129.230 129.230 120.938 8.292 18797 10940 1 18 . 1 1 43 43 PHE C C 43 172.920 172.920 175.610 -2.690 18797 10941 1 18 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.557 -0.597 18797 10942 1 18 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.630 -0.200 18797 10943 1 18 . 1 1 43 43 PHE H H 43 9.300 9.300 8.528 0.772 18797 10944 1 18 . 1 1 44 44 THR N N 44 126.530 126.530 116.468 10.062 18797 10945 1 18 . 1 1 44 44 THR C C 44 171.340 171.340 173.537 -2.197 18797 10946 1 18 . 1 1 44 44 THR CA C 44 60.410 60.410 59.564 0.846 18797 10947 1 18 . 1 1 44 44 THR CB C 44 70.220 70.220 71.671 -1.451 18797 10948 1 18 . 1 1 44 44 THR H H 44 8.820 8.820 8.918 -0.099 18797 10949 1 18 . 1 1 45 45 TYR N N 45 125.840 125.840 120.587 5.253 18797 10950 1 18 . 1 1 45 45 TYR C C 45 174.000 174.000 173.949 0.051 18797 10951 1 18 . 1 1 45 45 TYR CA C 45 55.670 55.670 55.199 0.471 18797 10952 1 18 . 1 1 45 45 TYR CB C 45 41.000 41.000 40.700 0.300 18797 10953 1 18 . 1 1 45 45 TYR H H 45 8.210 8.210 8.176 0.034 18797 10954 1 18 . 1 1 46 46 THR N N 46 117.670 117.670 120.364 -2.694 18797 10955 1 18 . 1 1 46 46 THR C C 46 171.910 171.910 173.646 -1.736 18797 10956 1 18 . 1 1 46 46 THR CA C 46 58.720 58.720 61.126 -2.406 18797 10957 1 18 . 1 1 46 46 THR CB C 46 71.710 71.710 69.569 2.141 18797 10958 1 18 . 1 1 46 46 THR H H 46 8.550 8.550 7.794 0.756 18797 10959 1 18 . 1 1 47 47 GLU N N 47 112.160 112.160 124.945 -12.785 18797 10960 1 18 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.529 0.051 18797 10961 1 18 . 1 1 47 47 GLU CB C 47 32.670 32.670 33.218 -0.548 18797 10962 1 18 . 1 1 47 47 GLU H H 47 8.170 8.170 9.022 -0.852 18797 10963 1 18 . 1 1 49 49 SER CA C 49 58.210 58.210 58.088 0.122 18797 10964 1 18 . 1 1 49 49 SER CB C 49 64.070 64.070 63.900 0.170 18797 10965 1 18 . 1 1 49 49 SER H H 49 174.130 174.130 8.440 165.690 18797 10966 1 18 . 1 1 50 50 ARG N N 50 124.000 124.000 124.423 -0.423 18797 10967 1 18 . 1 1 50 50 ARG C C 50 176.270 176.270 175.640 0.630 18797 10968 1 18 . 1 1 50 50 ARG CA C 50 55.960 55.960 55.351 0.609 18797 10969 1 18 . 1 1 50 50 ARG CB C 50 30.980 30.980 32.505 -1.525 18797 10970 1 18 . 1 1 50 50 ARG H H 50 8.600 8.600 8.366 0.234 18797 10971 1 18 . 1 1 51 51 THR N N 51 115.720 115.720 112.796 2.924 18797 10972 1 18 . 1 1 51 51 THR C C 51 174.400 174.400 174.537 -0.137 18797 10973 1 18 . 1 1 51 51 THR CA C 51 61.820 61.820 60.423 1.397 18797 10974 1 18 . 1 1 51 51 THR H H 51 8.240 8.240 8.160 0.080 18797 10975 1 18 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.787 -0.787 18797 10976 1 18 . 1 1 52 52 ALA CB C 52 18.800 18.800 18.071 0.729 18797 10977 1 18 . 1 1 52 52 ALA H H 52 175.230 175.230 8.375 166.855 18797 10978 1 18 . 1 1 53 53 SER N N 53 113.990 113.990 117.916 -3.926 18797 10979 1 18 . 1 1 53 53 SER C C 53 175.360 175.360 175.016 0.344 18797 10980 1 18 . 1 1 53 53 SER CA C 53 58.350 58.350 57.351 0.999 18797 10981 1 18 . 1 1 53 53 SER CB C 53 62.930 62.930 66.100 -3.170 18797 10982 1 18 . 1 1 53 53 SER H H 53 8.000 8.000 8.027 -0.027 18797 10983 1 18 . 1 1 54 54 SER N N 54 113.510 113.510 119.816 -6.306 18797 10984 1 18 . 1 1 54 54 SER C C 54 173.880 173.880 176.189 -2.309 18797 10985 1 18 . 1 1 54 54 SER CA C 54 58.500 58.500 59.735 -1.235 18797 10986 1 18 . 1 1 54 54 SER CB C 54 62.960 62.960 63.090 -0.130 18797 10987 1 18 . 1 1 54 54 SER H H 54 8.050 8.050 8.739 -0.689 18797 10988 1 18 . 1 1 55 55 GLY N N 55 112.640 112.640 110.700 1.940 18797 10989 1 18 . 1 1 55 55 GLY CA C 55 44.200 44.200 45.733 -1.532 18797 10990 1 18 . 1 1 55 55 GLY H H 55 8.140 8.140 8.130 0.010 18797 10991 1 18 . 1 1 56 56 ASP CA C 56 54.100 54.100 53.152 0.948 18797 10992 1 18 . 1 1 56 56 ASP CB C 56 41.000 41.000 41.763 -0.763 18797 10993 1 18 . 1 1 56 56 ASP H H 56 175.600 175.600 7.850 167.750 18797 10994 1 18 . 1 1 57 57 TYR N N 57 121.140 121.140 120.561 0.579 18797 10995 1 18 . 1 1 57 57 TYR CA C 57 57.280 57.280 58.681 -1.401 18797 10996 1 18 . 1 1 57 57 TYR CB C 57 38.400 38.400 41.272 -2.872 18797 10997 1 18 . 1 1 57 57 TYR H H 57 8.150 8.150 8.222 -0.072 18797 10998 1 18 . 1 1 59 59 LYS CA C 59 55.410 55.410 55.544 -0.133 18797 10999 1 18 . 1 1 59 59 LYS CB C 59 34.220 34.220 33.347 0.873 18797 11000 1 18 . 1 1 60 60 ASN N N 60 122.740 122.740 117.023 5.717 18797 11001 1 18 . 1 1 60 60 ASN C C 60 175.260 175.260 175.030 0.230 18797 11002 1 18 . 1 1 60 60 ASN CA C 60 52.200 52.200 53.380 -1.180 18797 11003 1 18 . 1 1 60 60 ASN CB C 60 40.230 40.230 39.468 0.762 18797 11004 1 18 . 1 1 60 60 ASN H H 60 8.360 8.360 8.344 0.016 18797 11005 1 18 . 1 1 61 61 GLN N N 61 120.450 120.450 118.705 1.745 18797 11006 1 18 . 1 1 61 61 GLN C C 61 172.500 172.500 173.648 -1.148 18797 11007 1 18 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.398 0.342 18797 11008 1 18 . 1 1 61 61 GLN CB C 61 34.840 34.840 32.988 1.852 18797 11009 1 18 . 1 1 61 61 GLN H H 61 8.530 8.530 8.077 0.453 18797 11010 1 18 . 1 1 62 62 TYR N N 62 123.620 123.620 116.779 6.841 18797 11011 1 18 . 1 1 62 62 TYR C C 62 171.430 171.430 172.981 -1.551 18797 11012 1 18 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.615 1.225 18797 11013 1 18 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.405 -1.475 18797 11014 1 18 . 1 1 62 62 TYR H H 62 8.610 8.610 7.871 0.739 18797 11015 1 18 . 1 1 63 63 TYR N N 63 123.920 123.920 118.599 5.321 18797 11016 1 18 . 1 1 63 63 TYR C C 63 174.280 174.280 175.664 -1.384 18797 11017 1 18 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.930 -1.350 18797 11018 1 18 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.541 -1.221 18797 11019 1 18 . 1 1 63 63 TYR H H 63 8.400 8.400 8.706 -0.306 18797 11020 1 18 . 1 1 64 64 GLY N N 64 107.510 107.510 109.238 -1.728 18797 11021 1 18 . 1 1 64 64 GLY C C 64 174.090 174.090 172.209 1.881 18797 11022 1 18 . 1 1 64 64 GLY CA C 64 44.570 44.570 44.110 0.460 18797 11023 1 18 . 1 1 64 64 GLY H H 64 8.760 8.760 8.997 -0.237 18797 11024 1 18 . 1 1 65 65 ILE N N 65 128.470 128.470 125.117 3.353 18797 11025 1 18 . 1 1 65 65 ILE C C 65 174.350 174.350 175.002 -0.652 18797 11026 1 18 . 1 1 65 65 ILE CA C 65 59.960 59.960 60.054 -0.094 18797 11027 1 18 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.262 -0.522 18797 11028 1 18 . 1 1 65 65 ILE H H 65 8.900 8.900 8.370 0.530 18797 11029 1 18 . 1 1 66 66 THR N N 66 115.890 115.890 118.322 -2.432 18797 11030 1 18 . 1 1 66 66 THR C C 66 172.600 172.600 173.047 -0.447 18797 11031 1 18 . 1 1 66 66 THR CA C 66 58.670 58.670 59.444 -0.774 18797 11032 1 18 . 1 1 66 66 THR CB C 66 73.100 73.100 71.805 1.295 18797 11033 1 18 . 1 1 66 66 THR H H 66 8.900 8.900 8.335 0.565 18797 11034 1 18 . 1 1 67 67 ALA N N 67 119.730 119.730 124.013 -4.283 18797 11035 1 18 . 1 1 67 67 ALA C C 67 176.670 176.670 175.384 1.286 18797 11036 1 18 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.566 0.934 18797 11037 1 18 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.738 -0.678 18797 11038 1 18 . 1 1 67 67 ALA H H 67 9.370 9.370 8.684 0.686 18797 11039 1 18 . 1 1 68 68 GLY N N 68 104.240 104.240 106.306 -2.066 18797 11040 1 18 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.499 1.421 18797 11041 1 18 . 1 1 68 68 GLY H H 68 8.900 8.900 8.068 0.832 18797 11042 1 18 . 1 1 69 69 PRO CA C 69 61.040 61.040 60.862 0.178 18797 11043 1 18 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.778 -0.088 18797 11044 1 18 . 1 1 70 70 ALA N N 70 120.220 120.220 126.593 -6.373 18797 11045 1 18 . 1 1 70 70 ALA C C 70 175.590 175.590 175.948 -0.358 18797 11046 1 18 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.188 -1.698 18797 11047 1 18 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.419 0.561 18797 11048 1 18 . 1 1 70 70 ALA H H 70 7.870 7.870 8.339 -0.469 18797 11049 1 18 . 1 1 71 71 TYR N N 71 126.080 126.080 122.936 3.144 18797 11050 1 18 . 1 1 71 71 TYR C C 71 174.090 174.090 174.841 -0.751 18797 11051 1 18 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.944 -0.824 18797 11052 1 18 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.794 -0.874 18797 11053 1 18 . 1 1 71 71 TYR H H 71 9.780 9.780 9.051 0.729 18797 11054 1 18 . 1 1 72 72 ARG N N 72 131.410 131.410 121.653 9.757 18797 11055 1 18 . 1 1 72 72 ARG C C 72 174.160 174.160 175.052 -0.892 18797 11056 1 18 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.202 0.818 18797 11057 1 18 . 1 1 72 72 ARG CB C 72 29.620 29.620 29.943 -0.323 18797 11058 1 18 . 1 1 72 72 ARG H H 72 8.770 8.770 8.765 0.005 18797 11059 1 18 . 1 1 73 73 ILE N N 73 129.550 129.550 125.077 4.473 18797 11060 1 18 . 1 1 73 73 ILE C C 73 175.730 175.730 176.124 -0.394 18797 11061 1 18 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.002 2.948 18797 11062 1 18 . 1 1 73 73 ILE CB C 73 38.510 38.510 40.444 -1.934 18797 11063 1 18 . 1 1 73 73 ILE H H 73 8.400 8.400 8.493 -0.093 18797 11064 1 18 . 1 1 74 74 ASN N N 74 114.870 114.870 126.300 -11.430 18797 11065 1 18 . 1 1 74 74 ASN C C 74 174.860 174.860 175.573 -0.713 18797 11066 1 18 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.489 -3.659 18797 11067 1 18 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.478 -1.638 18797 11068 1 18 . 1 1 74 74 ASN H H 74 7.920 7.920 8.826 -0.906 18797 11069 1 18 . 1 1 75 75 ASP N N 75 113.980 113.980 118.655 -4.675 18797 11070 1 18 . 1 1 75 75 ASP C C 75 175.820 175.820 175.251 0.569 18797 11071 1 18 . 1 1 75 75 ASP CA C 75 56.920 56.920 55.705 1.215 18797 11072 1 18 . 1 1 75 75 ASP CB C 75 40.230 40.230 40.785 -0.555 18797 11073 1 18 . 1 1 75 75 ASP H H 75 8.320 8.320 8.065 0.255 18797 11074 1 18 . 1 1 76 76 TRP N N 76 113.600 113.600 116.310 -2.710 18797 11075 1 18 . 1 1 76 76 TRP C C 76 176.310 176.310 175.162 1.148 18797 11076 1 18 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.143 -0.733 18797 11077 1 18 . 1 1 76 76 TRP CB C 76 31.160 31.160 31.501 -0.341 18797 11078 1 18 . 1 1 76 76 TRP H H 76 7.970 7.970 7.354 0.616 18797 11079 1 18 . 1 1 77 77 ALA N N 77 125.520 125.520 119.997 5.523 18797 11080 1 18 . 1 1 77 77 ALA C C 77 175.620 175.620 177.360 -1.740 18797 11081 1 18 . 1 1 77 77 ALA CA C 77 52.070 52.070 52.043 0.027 18797 11082 1 18 . 1 1 77 77 ALA CB C 77 21.140 21.140 20.310 0.830 18797 11083 1 18 . 1 1 77 77 ALA H H 77 7.740 7.740 8.628 -0.888 18797 11084 1 18 . 1 1 78 78 SER N N 78 114.140 114.140 113.122 1.018 18797 11085 1 18 . 1 1 78 78 SER C C 78 170.060 170.060 172.526 -2.466 18797 11086 1 18 . 1 1 78 78 SER CA C 78 57.250 57.250 57.758 -0.508 18797 11087 1 18 . 1 1 78 78 SER CB C 78 65.320 65.320 65.327 -0.007 18797 11088 1 18 . 1 1 78 78 SER H H 78 8.100 8.100 7.688 0.412 18797 11089 1 18 . 1 1 79 79 ILE N N 79 120.650 120.650 126.521 -5.871 18797 11090 1 18 . 1 1 79 79 ILE C C 79 172.470 172.470 173.153 -0.683 18797 11091 1 18 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.968 -1.518 18797 11092 1 18 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.835 0.265 18797 11093 1 18 . 1 1 79 79 ILE H H 79 8.960 8.960 8.507 0.453 18797 11094 1 18 . 1 1 80 80 TYR N N 80 120.580 120.580 126.029 -5.449 18797 11095 1 18 . 1 1 80 80 TYR C C 80 173.000 173.000 173.433 -0.433 18797 11096 1 18 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.320 0.660 18797 11097 1 18 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.446 -0.416 18797 11098 1 18 . 1 1 80 80 TYR H H 80 8.360 8.360 8.184 0.176 18797 11099 1 18 . 1 1 81 81 GLY N N 81 106.140 106.140 107.883 -1.743 18797 11100 1 18 . 1 1 81 81 GLY C C 81 170.920 170.920 171.730 -0.810 18797 11101 1 18 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.701 0.299 18797 11102 1 18 . 1 1 81 81 GLY H H 81 8.050 8.050 8.405 -0.355 18797 11103 1 18 . 1 1 82 82 VAL N N 82 111.380 111.380 122.946 -11.566 18797 11104 1 18 . 1 1 82 82 VAL C C 82 174.370 174.370 173.464 0.906 18797 11105 1 18 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.972 -1.792 18797 11106 1 18 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.148 0.292 18797 11107 1 18 . 1 1 82 82 VAL H H 82 8.490 8.490 8.296 0.194 18797 11108 1 18 . 1 1 83 83 VAL N N 83 113.660 113.660 125.735 -12.075 18797 11109 1 18 . 1 1 83 83 VAL C C 83 174.680 174.680 174.670 0.010 18797 11110 1 18 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.903 -0.813 18797 11111 1 18 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.269 0.751 18797 11112 1 18 . 1 1 83 83 VAL H H 83 8.970 8.970 8.531 0.439 18797 11113 1 18 . 1 1 84 84 GLY N N 84 108.310 108.310 112.294 -3.984 18797 11114 1 18 . 1 1 84 84 GLY C C 84 171.440 171.440 172.017 -0.577 18797 11115 1 18 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.176 2.594 18797 11116 1 18 . 1 1 84 84 GLY H H 84 8.480 8.480 8.612 -0.132 18797 11117 1 18 . 1 1 85 85 VAL N N 85 122.520 122.520 119.388 3.132 18797 11118 1 18 . 1 1 85 85 VAL C C 85 172.560 172.560 174.795 -2.235 18797 11119 1 18 . 1 1 85 85 VAL CA C 85 59.170 59.170 60.204 -1.034 18797 11120 1 18 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.458 1.352 18797 11121 1 18 . 1 1 85 85 VAL H H 85 8.920 8.920 8.165 0.755 18797 11122 1 18 . 1 1 86 86 GLY N N 86 113.360 113.360 113.313 0.047 18797 11123 1 18 . 1 1 86 86 GLY C C 86 172.210 172.210 172.281 -0.071 18797 11124 1 18 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.604 -0.324 18797 11125 1 18 . 1 1 86 86 GLY H H 86 8.880 8.880 8.298 0.582 18797 11126 1 18 . 1 1 87 87 TYR N N 87 123.830 123.830 122.904 0.926 18797 11127 1 18 . 1 1 87 87 TYR C C 87 174.030 174.030 175.568 -1.538 18797 11128 1 18 . 1 1 87 87 TYR CA C 87 55.930 55.930 56.148 -0.218 18797 11129 1 18 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.135 -0.104 18797 11130 1 18 . 1 1 87 87 TYR H H 87 9.310 9.310 8.861 0.449 18797 11131 1 18 . 1 1 88 88 GLY N N 88 112.300 112.300 109.154 3.146 18797 11132 1 18 . 1 1 88 88 GLY C C 88 170.620 170.620 172.115 -1.495 18797 11133 1 18 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.527 0.873 18797 11134 1 18 . 1 1 88 88 GLY H H 88 8.000 8.000 8.968 -0.968 18797 11135 1 18 . 1 1 89 89 LYS N N 89 122.410 122.410 122.882 -0.472 18797 11136 1 18 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.725 -0.245 18797 11137 1 18 . 1 1 89 89 LYS H H 89 8.230 8.230 8.643 -0.413 18797 11138 1 18 . 1 1 90 90 PHE C C 90 175.190 175.190 175.401 -0.211 18797 11139 1 18 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.389 -2.359 18797 11140 1 18 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.073 -0.563 18797 11141 1 18 . 1 1 91 91 GLN N N 91 122.380 122.380 121.536 0.844 18797 11142 1 18 . 1 1 91 91 GLN CA C 91 55.330 55.330 55.418 -0.088 18797 11143 1 18 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.219 -1.519 18797 11144 1 18 . 1 1 91 91 GLN H H 91 8.370 8.370 8.610 -0.240 18797 11145 1 18 . 1 1 94 94 GLU N N 94 175.780 175.780 116.373 59.407 18797 11146 1 18 . 1 1 94 94 GLU CA C 94 57.030 57.030 58.157 -1.127 18797 11147 1 18 . 1 1 94 94 GLU CB C 94 29.460 29.460 26.743 2.717 18797 11148 1 18 . 1 1 95 95 TYR N N 95 120.240 120.240 119.224 1.016 18797 11149 1 18 . 1 1 95 95 TYR CA C 95 55.290 55.290 60.236 -4.946 18797 11150 1 18 . 1 1 95 95 TYR CB C 95 37.730 37.730 37.424 0.306 18797 11151 1 18 . 1 1 95 95 TYR H H 95 7.830 7.830 8.071 -0.241 18797 11152 1 18 . 1 1 97 97 THR CA C 97 62.210 62.210 59.781 2.429 18797 11153 1 18 . 1 1 97 97 THR H H 97 174.320 174.320 7.355 166.965 18797 11154 1 18 . 1 1 98 98 TYR N N 98 122.540 122.540 122.935 -0.395 18797 11155 1 18 . 1 1 98 98 TYR C C 98 175.000 175.000 175.736 -0.736 18797 11156 1 18 . 1 1 98 98 TYR CA C 98 57.530 57.530 60.645 -3.115 18797 11157 1 18 . 1 1 98 98 TYR CB C 98 38.350 38.350 39.065 -0.715 18797 11158 1 18 . 1 1 98 98 TYR H H 98 8.040 8.040 8.664 -0.624 18797 11159 1 18 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.546 0.474 18797 11160 1 18 . 1 1 101 101 ASP CB C 101 39.700 39.700 43.241 -3.541 18797 11161 1 18 . 1 1 101 101 ASP H H 101 176.040 176.040 7.832 168.208 18797 11162 1 18 . 1 1 102 102 THR N N 102 117.650 117.650 117.679 -0.029 18797 11163 1 18 . 1 1 102 102 THR C C 102 173.840 173.840 173.751 0.089 18797 11164 1 18 . 1 1 102 102 THR CA C 102 61.590 61.590 61.584 0.006 18797 11165 1 18 . 1 1 102 102 THR CB C 102 69.970 69.970 71.664 -1.694 18797 11166 1 18 . 1 1 102 102 THR H H 102 8.520 8.520 8.126 0.394 18797 11167 1 18 . 1 1 103 103 SER N N 103 119.470 119.470 119.892 -0.422 18797 11168 1 18 . 1 1 103 103 SER C C 103 173.580 173.580 173.320 0.260 18797 11169 1 18 . 1 1 103 103 SER CA C 103 57.310 57.310 57.256 0.054 18797 11170 1 18 . 1 1 103 103 SER H H 103 8.240 8.240 8.558 -0.318 18797 11171 1 18 . 1 1 104 104 ASP N N 104 122.250 122.250 122.371 -0.121 18797 11172 1 18 . 1 1 104 104 ASP C C 104 173.100 173.100 174.250 -1.150 18797 11173 1 18 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.732 -0.132 18797 11174 1 18 . 1 1 104 104 ASP CB C 104 44.060 44.060 42.518 1.542 18797 11175 1 18 . 1 1 104 104 ASP H H 104 8.270 8.270 8.597 -0.327 18797 11176 1 18 . 1 1 105 105 TYR N N 105 116.040 116.040 116.885 -0.845 18797 11177 1 18 . 1 1 105 105 TYR C C 105 175.860 175.860 174.594 1.266 18797 11178 1 18 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.014 -0.464 18797 11179 1 18 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.519 0.111 18797 11180 1 18 . 1 1 105 105 TYR H H 105 8.560 8.560 8.116 0.444 18797 11181 1 18 . 1 1 106 106 GLY N N 106 108.500 108.500 107.842 0.658 18797 11182 1 18 . 1 1 106 106 GLY C C 106 172.030 172.030 171.554 0.476 18797 11183 1 18 . 1 1 106 106 GLY CA C 106 44.490 44.490 43.955 0.535 18797 11184 1 18 . 1 1 106 106 GLY H H 106 9.190 9.190 8.212 0.978 18797 11185 1 18 . 1 1 107 107 PHE N N 107 121.420 121.420 119.109 2.311 18797 11186 1 18 . 1 1 107 107 PHE C C 107 175.430 175.430 175.582 -0.152 18797 11187 1 18 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.873 0.666 18797 11188 1 18 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.601 -1.401 18797 11189 1 18 . 1 1 107 107 PHE H H 107 8.860 8.860 8.544 0.316 18797 11190 1 18 . 1 1 108 108 SER N N 108 123.250 123.250 119.255 3.995 18797 11191 1 18 . 1 1 108 108 SER C C 108 171.430 171.430 173.164 -1.734 18797 11192 1 18 . 1 1 108 108 SER CA C 108 56.100 56.100 56.642 -0.542 18797 11193 1 18 . 1 1 108 108 SER CB C 108 65.720 65.720 66.070 -0.350 18797 11194 1 18 . 1 1 108 108 SER H H 108 8.110 8.110 8.883 -0.773 18797 11195 1 18 . 1 1 109 109 TYR N N 109 117.840 117.840 124.414 -6.574 18797 11196 1 18 . 1 1 109 109 TYR C C 109 173.560 173.560 173.880 -0.320 18797 11197 1 18 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.835 -1.515 18797 11198 1 18 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.590 -3.030 18797 11199 1 18 . 1 1 109 109 TYR H H 109 8.480 8.480 8.445 0.035 18797 11200 1 18 . 1 1 110 110 GLY N N 110 106.400 106.400 111.212 -4.812 18797 11201 1 18 . 1 1 110 110 GLY C C 110 171.350 171.350 171.106 0.244 18797 11202 1 18 . 1 1 110 110 GLY CA C 110 46.160 46.160 43.998 2.162 18797 11203 1 18 . 1 1 110 110 GLY H H 110 8.980 8.980 8.110 0.870 18797 11204 1 18 . 1 1 111 111 ALA N N 111 119.140 119.140 120.556 -1.416 18797 11205 1 18 . 1 1 111 111 ALA C C 111 174.640 174.640 174.749 -0.109 18797 11206 1 18 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.158 0.812 18797 11207 1 18 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.704 -0.554 18797 11208 1 18 . 1 1 111 111 ALA H H 111 8.390 8.390 8.111 0.279 18797 11209 1 18 . 1 1 112 112 GLY N N 112 106.070 106.070 106.125 -0.055 18797 11210 1 18 . 1 1 112 112 GLY C C 112 169.770 169.770 170.913 -1.143 18797 11211 1 18 . 1 1 112 112 GLY CA C 112 45.270 45.270 43.922 1.348 18797 11212 1 18 . 1 1 112 112 GLY H H 112 7.820 7.820 7.131 0.689 18797 11213 1 18 . 1 1 113 113 LEU N N 113 116.370 116.370 118.912 -2.542 18797 11214 1 18 . 1 1 113 113 LEU C C 113 175.090 175.090 175.055 0.035 18797 11215 1 18 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.471 -0.781 18797 11216 1 18 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.185 0.375 18797 11217 1 18 . 1 1 113 113 LEU H H 113 8.930 8.930 7.301 1.629 18797 11218 1 18 . 1 1 114 114 GLN N N 114 115.860 115.860 117.715 -1.855 18797 11219 1 18 . 1 1 114 114 GLN C C 114 176.910 176.910 174.706 2.204 18797 11220 1 18 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.190 -0.460 18797 11221 1 18 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.804 0.486 18797 11222 1 18 . 1 1 114 114 GLN H H 114 7.860 7.860 7.883 -0.023 18797 11223 1 18 . 1 1 115 115 PHE N N 115 126.580 126.580 121.066 5.514 18797 11224 1 18 . 1 1 115 115 PHE C C 115 175.740 175.740 173.872 1.868 18797 11225 1 18 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.586 -1.386 18797 11226 1 18 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.153 2.217 18797 11227 1 18 . 1 1 115 115 PHE H H 115 9.750 9.750 8.672 1.078 18797 11228 1 18 . 1 1 116 116 ASN N N 116 119.920 119.920 121.997 -2.077 18797 11229 1 18 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.996 0.204 18797 11230 1 18 . 1 1 116 116 ASN CB C 116 40.650 40.650 39.611 1.040 18797 11231 1 18 . 1 1 116 116 ASN H H 116 9.450 9.450 8.538 0.912 18797 11232 1 18 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.861 1.839 18797 11233 1 18 . 1 1 118 118 MET N N 118 110.530 110.530 119.567 -9.037 18797 11234 1 18 . 1 1 118 118 MET C C 118 176.130 176.130 176.452 -0.322 18797 11235 1 18 . 1 1 118 118 MET CA C 118 53.980 53.980 56.891 -2.911 18797 11236 1 18 . 1 1 118 118 MET CB C 118 36.310 36.310 33.033 3.277 18797 11237 1 18 . 1 1 118 118 MET H H 118 7.310 7.310 8.282 -0.972 18797 11238 1 18 . 1 1 119 119 GLU N N 119 120.320 120.320 122.000 -1.680 18797 11239 1 18 . 1 1 119 119 GLU C C 119 176.810 176.810 176.692 0.118 18797 11240 1 18 . 1 1 119 119 GLU CA C 119 59.600 59.600 58.208 1.393 18797 11241 1 18 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.742 -0.592 18797 11242 1 18 . 1 1 119 119 GLU H H 119 9.120 9.120 8.919 0.201 18797 11243 1 18 . 1 1 120 120 ASN N N 120 112.490 112.490 118.238 -5.748 18797 11244 1 18 . 1 1 120 120 ASN C C 120 174.080 174.080 176.120 -2.040 18797 11245 1 18 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.553 -2.153 18797 11246 1 18 . 1 1 120 120 ASN CB C 120 38.830 38.830 37.788 1.042 18797 11247 1 18 . 1 1 120 120 ASN H H 120 8.430 8.430 8.732 -0.302 18797 11248 1 18 . 1 1 121 121 VAL N N 121 117.760 117.760 114.325 3.435 18797 11249 1 18 . 1 1 121 121 VAL C C 121 174.750 174.750 175.483 -0.733 18797 11250 1 18 . 1 1 121 121 VAL CA C 121 60.690 60.690 61.765 -1.075 18797 11251 1 18 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.657 5.244 18797 11252 1 18 . 1 1 121 121 VAL H H 121 7.500 7.500 7.435 0.065 18797 11253 1 18 . 1 1 122 122 ALA N N 122 127.190 127.190 123.674 3.516 18797 11254 1 18 . 1 1 122 122 ALA C C 122 175.140 175.140 175.579 -0.439 18797 11255 1 18 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.722 -1.332 18797 11256 1 18 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.752 1.068 18797 11257 1 18 . 1 1 122 122 ALA H H 122 8.230 8.230 7.402 0.828 18797 11258 1 18 . 1 1 123 123 LEU N N 123 120.270 120.270 123.361 -3.091 18797 11259 1 18 . 1 1 123 123 LEU C C 123 174.310 174.310 175.846 -1.536 18797 11260 1 18 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.508 0.152 18797 11261 1 18 . 1 1 123 123 LEU CB C 123 44.510 44.510 45.165 -0.655 18797 11262 1 18 . 1 1 123 123 LEU H H 123 8.910 8.910 8.381 0.529 18797 11263 1 18 . 1 1 124 124 ASP N N 124 127.350 127.350 121.374 5.976 18797 11264 1 18 . 1 1 124 124 ASP C C 124 171.830 171.830 174.745 -2.915 18797 11265 1 18 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.791 1.029 18797 11266 1 18 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.940 2.550 18797 11267 1 18 . 1 1 124 124 ASP H H 124 8.580 8.580 8.460 0.120 18797 11268 1 18 . 1 1 125 125 PHE N N 125 123.390 123.390 121.807 1.583 18797 11269 1 18 . 1 1 125 125 PHE C C 125 174.130 174.130 173.021 1.109 18797 11270 1 18 . 1 1 125 125 PHE CA C 125 55.660 55.660 55.216 0.444 18797 11271 1 18 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.510 0.190 18797 11272 1 18 . 1 1 125 125 PHE H H 125 8.670 8.670 8.071 0.599 18797 11273 1 18 . 1 1 126 126 SER N N 126 118.680 118.680 116.502 2.178 18797 11274 1 18 . 1 1 126 126 SER C C 126 169.980 169.980 172.272 -2.292 18797 11275 1 18 . 1 1 126 126 SER CA C 126 58.120 58.120 56.651 1.469 18797 11276 1 18 . 1 1 126 126 SER CB C 126 66.950 66.950 66.178 0.772 18797 11277 1 18 . 1 1 126 126 SER H H 126 9.390 9.390 8.180 1.210 18797 11278 1 18 . 1 1 127 127 TYR N N 127 119.080 119.080 121.398 -2.318 18797 11279 1 18 . 1 1 127 127 TYR C C 127 174.390 174.390 174.662 -0.272 18797 11280 1 18 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.328 -0.888 18797 11281 1 18 . 1 1 127 127 TYR CB C 127 43.100 43.100 42.051 1.049 18797 11282 1 18 . 1 1 127 127 TYR H H 127 8.610 8.610 8.523 0.087 18797 11283 1 18 . 1 1 128 128 GLU N N 128 130.070 130.070 121.871 8.199 18797 11284 1 18 . 1 1 128 128 GLU C C 128 172.590 172.590 174.190 -1.600 18797 11285 1 18 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.648 -0.518 18797 11286 1 18 . 1 1 128 128 GLU CB C 128 33.500 33.500 34.119 -0.619 18797 11287 1 18 . 1 1 128 128 GLU H H 128 8.510 8.510 8.881 -0.371 18797 11288 1 18 . 1 1 129 129 GLN N N 129 128.670 128.670 127.052 1.618 18797 11289 1 18 . 1 1 129 129 GLN C C 129 173.690 173.690 174.513 -0.823 18797 11290 1 18 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.898 -0.688 18797 11291 1 18 . 1 1 129 129 GLN CB C 129 31.050 31.050 33.061 -2.011 18797 11292 1 18 . 1 1 129 129 GLN H H 129 9.330 9.330 8.922 0.408 18797 11293 1 18 . 1 1 130 130 SER N N 130 118.630 118.630 121.814 -3.184 18797 11294 1 18 . 1 1 130 130 SER C C 130 174.210 174.210 174.819 -0.609 18797 11295 1 18 . 1 1 130 130 SER CA C 130 56.450 56.450 56.853 -0.403 18797 11296 1 18 . 1 1 130 130 SER CB C 130 66.260 66.260 65.429 0.831 18797 11297 1 18 . 1 1 130 130 SER H H 130 8.580 8.580 8.258 0.322 18797 11298 1 18 . 1 1 131 131 ARG N N 131 126.850 126.850 123.436 3.414 18797 11299 1 18 . 1 1 131 131 ARG C C 131 174.740 174.740 175.972 -1.232 18797 11300 1 18 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.411 -0.071 18797 11301 1 18 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.011 -0.101 18797 11302 1 18 . 1 1 131 131 ARG H H 131 7.690 7.690 8.557 -0.867 18797 11303 1 18 . 1 1 132 132 ILE N N 132 129.470 129.470 124.981 4.489 18797 11304 1 18 . 1 1 132 132 ILE C C 132 175.500 175.500 175.380 0.120 18797 11305 1 18 . 1 1 132 132 ILE CA C 132 58.890 58.890 60.772 -1.882 18797 11306 1 18 . 1 1 132 132 ILE CB C 132 38.320 38.320 38.263 0.057 18797 11307 1 18 . 1 1 132 132 ILE H H 132 8.730 8.730 8.668 0.062 18797 11308 1 18 . 1 1 133 133 ARG N N 133 127.220 127.220 129.379 -2.159 18797 11309 1 18 . 1 1 133 133 ARG CA C 133 58.110 58.110 54.729 3.381 18797 11310 1 18 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.452 -3.132 18797 11311 1 18 . 1 1 133 133 ARG H H 133 9.400 9.400 8.278 1.122 18797 11312 1 18 . 1 1 134 134 SER C C 134 173.290 173.290 173.775 -0.485 18797 11313 1 18 . 1 1 134 134 SER CA C 134 58.490 58.490 60.434 -1.944 18797 11314 1 18 . 1 1 134 134 SER CB C 134 62.860 62.860 63.160 -0.300 18797 11315 1 18 . 1 1 135 135 VAL N N 135 124.810 124.810 122.573 2.237 18797 11316 1 18 . 1 1 135 135 VAL C C 135 174.650 174.650 174.045 0.605 18797 11317 1 18 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.070 0.800 18797 11318 1 18 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.352 -2.292 18797 11319 1 18 . 1 1 135 135 VAL H H 135 8.270 8.270 7.385 0.885 18797 11320 1 18 . 1 1 136 136 ASP N N 136 127.750 127.750 125.054 2.696 18797 11321 1 18 . 1 1 136 136 ASP C C 136 175.130 175.130 174.971 0.159 18797 11322 1 18 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.151 2.069 18797 11323 1 18 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.494 -0.744 18797 11324 1 18 . 1 1 136 136 ASP H H 136 8.010 8.010 8.378 -0.368 18797 11325 1 18 . 1 1 137 137 VAL N N 137 124.520 124.520 120.042 4.478 18797 11326 1 18 . 1 1 137 137 VAL C C 137 174.690 174.690 175.684 -0.994 18797 11327 1 18 . 1 1 137 137 VAL CA C 137 60.450 60.450 61.046 -0.596 18797 11328 1 18 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.358 -0.558 18797 11329 1 18 . 1 1 137 137 VAL H H 137 8.720 8.720 7.844 0.876 18797 11330 1 18 . 1 1 138 138 GLY N N 138 116.920 116.920 114.328 2.592 18797 11331 1 18 . 1 1 138 138 GLY C C 138 172.930 172.930 172.766 0.164 18797 11332 1 18 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.477 0.003 18797 11333 1 18 . 1 1 138 138 GLY H H 138 8.240 8.240 8.595 -0.355 18797 11334 1 18 . 1 1 139 139 THR N N 139 125.070 125.070 122.071 2.999 18797 11335 1 18 . 1 1 139 139 THR C C 139 171.920 171.920 173.054 -1.134 18797 11336 1 18 . 1 1 139 139 THR CA C 139 60.890 60.890 61.832 -0.942 18797 11337 1 18 . 1 1 139 139 THR CB C 139 70.290 70.290 72.127 -1.837 18797 11338 1 18 . 1 1 139 139 THR H H 139 8.710 8.710 8.561 0.149 18797 11339 1 18 . 1 1 140 140 TRP N N 140 125.840 125.840 130.733 -4.893 18797 11340 1 18 . 1 1 140 140 TRP C C 140 175.070 175.070 173.514 1.556 18797 11341 1 18 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.797 -0.667 18797 11342 1 18 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.599 -0.499 18797 11343 1 18 . 1 1 140 140 TRP H H 140 8.330 8.330 8.687 -0.357 18797 11344 1 18 . 1 1 141 141 ILE N N 141 123.240 123.240 127.626 -4.386 18797 11345 1 18 . 1 1 141 141 ILE C C 141 174.870 174.870 172.515 2.355 18797 11346 1 18 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.477 1.913 18797 11347 1 18 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.172 -1.542 18797 11348 1 18 . 1 1 141 141 ILE H H 141 8.980 8.980 8.074 0.906 18797 11349 1 18 . 1 1 142 142 ALA N N 142 127.680 127.680 128.482 -0.802 18797 11350 1 18 . 1 1 142 142 ALA C C 142 175.700 175.700 175.395 0.305 18797 11351 1 18 . 1 1 142 142 ALA CA C 142 50.530 50.530 49.898 0.632 18797 11352 1 18 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.570 -0.360 18797 11353 1 18 . 1 1 142 142 ALA H H 142 8.350 8.350 8.287 0.063 18797 11354 1 18 . 1 1 143 143 GLY N N 143 109.030 109.030 108.649 0.381 18797 11355 1 18 . 1 1 143 143 GLY C C 143 172.090 172.090 171.796 0.294 18797 11356 1 18 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.424 1.006 18797 11357 1 18 . 1 1 143 143 GLY H H 143 9.520 9.520 8.363 1.157 18797 11358 1 18 . 1 1 144 144 VAL N N 144 114.110 114.110 116.945 -2.835 18797 11359 1 18 . 1 1 144 144 VAL C C 144 174.010 174.010 174.799 -0.789 18797 11360 1 18 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.488 -0.218 18797 11361 1 18 . 1 1 144 144 VAL CB C 144 35.490 35.490 33.823 1.667 18797 11362 1 18 . 1 1 144 144 VAL H H 144 8.750 8.750 8.476 0.274 18797 11363 1 18 . 1 1 145 145 GLY N N 145 107.360 107.360 111.583 -4.223 18797 11364 1 18 . 1 1 145 145 GLY C C 145 171.210 171.210 171.875 -0.665 18797 11365 1 18 . 1 1 145 145 GLY CA C 145 46.770 46.770 45.080 1.690 18797 11366 1 18 . 1 1 145 145 GLY H H 145 8.590 8.590 8.343 0.247 18797 11367 1 18 . 1 1 146 146 TYR N N 146 121.960 121.960 115.307 6.653 18797 11368 1 18 . 1 1 146 146 TYR C C 146 172.440 172.440 173.761 -1.321 18797 11369 1 18 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.118 0.132 18797 11370 1 18 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.288 2.982 18797 11371 1 18 . 1 1 146 146 TYR H H 146 8.370 8.370 7.747 0.623 18797 11372 1 18 . 1 1 147 147 ARG N N 147 129.590 129.590 119.261 10.329 18797 11373 1 18 . 1 1 147 147 ARG C C 147 173.850 173.850 175.317 -1.467 18797 11374 1 18 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.804 -1.444 18797 11375 1 18 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.385 -0.965 18797 11376 1 18 . 1 1 147 147 ARG H H 147 7.690 7.690 8.560 -0.870 18797 11377 1 19 . 1 1 2 2 THR N N 2 114.280 114.280 114.192 0.088 18797 11378 1 19 . 1 1 2 2 THR C C 2 173.570 173.570 174.684 -1.114 18797 11379 1 19 . 1 1 2 2 THR CA C 2 61.040 61.040 64.925 -3.885 18797 11380 1 19 . 1 1 2 2 THR CB C 2 71.930 71.930 69.258 2.671 18797 11381 1 19 . 1 1 2 2 THR H H 2 8.490 8.490 8.303 0.187 18797 11382 1 19 . 1 1 3 3 SER N N 3 122.430 122.430 113.595 8.835 18797 11383 1 19 . 1 1 3 3 SER C C 3 172.590 172.590 172.606 -0.016 18797 11384 1 19 . 1 1 3 3 SER CA C 3 56.760 56.760 57.088 -0.328 18797 11385 1 19 . 1 1 3 3 SER CB C 3 65.480 65.480 65.262 0.218 18797 11386 1 19 . 1 1 3 3 SER H H 3 9.000 9.000 7.658 1.342 18797 11387 1 19 . 1 1 4 4 THR N N 4 117.240 117.240 123.202 -5.962 18797 11388 1 19 . 1 1 4 4 THR C C 4 174.640 174.640 172.602 2.038 18797 11389 1 19 . 1 1 4 4 THR CA C 4 61.390 61.390 61.277 0.113 18797 11390 1 19 . 1 1 4 4 THR CB C 4 70.680 70.680 71.480 -0.800 18797 11391 1 19 . 1 1 4 4 THR H H 4 8.610 8.610 7.938 0.672 18797 11392 1 19 . 1 1 5 5 VAL N N 5 129.440 129.440 126.474 2.966 18797 11393 1 19 . 1 1 5 5 VAL C C 5 174.770 174.770 174.740 0.030 18797 11394 1 19 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.875 -1.115 18797 11395 1 19 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.249 0.241 18797 11396 1 19 . 1 1 5 5 VAL H H 5 8.750 8.750 7.864 0.886 18797 11397 1 19 . 1 1 6 6 THR N N 6 116.430 116.430 123.464 -7.034 18797 11398 1 19 . 1 1 6 6 THR C C 6 172.930 172.930 173.379 -0.449 18797 11399 1 19 . 1 1 6 6 THR CA C 6 58.590 58.590 61.165 -2.575 18797 11400 1 19 . 1 1 6 6 THR CB C 6 70.930 70.930 72.132 -1.202 18797 11401 1 19 . 1 1 6 6 THR H H 6 8.890 8.890 8.098 0.792 18797 11402 1 19 . 1 1 7 7 GLY N N 7 105.590 105.590 111.144 -5.554 18797 11403 1 19 . 1 1 7 7 GLY C C 7 172.430 172.430 172.002 0.428 18797 11404 1 19 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.551 0.769 18797 11405 1 19 . 1 1 7 7 GLY H H 7 8.760 8.760 8.332 0.428 18797 11406 1 19 . 1 1 8 8 GLY N N 8 106.530 106.530 109.455 -2.925 18797 11407 1 19 . 1 1 8 8 GLY C C 8 173.030 173.030 171.837 1.193 18797 11408 1 19 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.354 1.576 18797 11409 1 19 . 1 1 8 8 GLY H H 8 9.100 9.100 7.975 1.125 18797 11410 1 19 . 1 1 9 9 TYR N N 9 121.730 121.730 118.600 3.130 18797 11411 1 19 . 1 1 9 9 TYR C C 9 172.390 172.390 174.167 -1.777 18797 11412 1 19 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.069 0.771 18797 11413 1 19 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.571 -1.491 18797 11414 1 19 . 1 1 9 9 TYR H H 9 8.410 8.410 8.311 0.099 18797 11415 1 19 . 1 1 10 10 ALA N N 10 128.460 128.460 122.231 6.229 18797 11416 1 19 . 1 1 10 10 ALA C C 10 174.020 174.020 175.646 -1.626 18797 11417 1 19 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.845 -1.635 18797 11418 1 19 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.805 -0.585 18797 11419 1 19 . 1 1 10 10 ALA H H 10 6.910 6.910 8.904 -1.994 18797 11420 1 19 . 1 1 11 11 GLN N N 11 118.830 118.830 120.876 -2.046 18797 11421 1 19 . 1 1 11 11 GLN C C 11 175.650 175.650 175.364 0.286 18797 11422 1 19 . 1 1 11 11 GLN CA C 11 53.830 53.830 54.304 -0.474 18797 11423 1 19 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.867 -0.807 18797 11424 1 19 . 1 1 11 11 GLN H H 11 8.100 8.100 8.305 -0.205 18797 11425 1 19 . 1 1 12 12 SER N N 12 124.200 124.200 119.556 4.644 18797 11426 1 19 . 1 1 12 12 SER C C 12 172.710 172.710 173.162 -0.452 18797 11427 1 19 . 1 1 12 12 SER CA C 12 57.190 57.190 57.260 -0.070 18797 11428 1 19 . 1 1 12 12 SER CB C 12 64.180 64.180 65.334 -1.154 18797 11429 1 19 . 1 1 12 12 SER H H 12 9.160 9.160 8.572 0.588 18797 11430 1 19 . 1 1 13 13 ASP N N 13 124.950 124.950 125.466 -0.516 18797 11431 1 19 . 1 1 13 13 ASP C C 13 174.860 174.860 174.535 0.325 18797 11432 1 19 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.744 -0.784 18797 11433 1 19 . 1 1 13 13 ASP CB C 13 42.920 42.920 43.148 -0.228 18797 11434 1 19 . 1 1 13 13 ASP H H 13 9.070 9.070 8.243 0.827 18797 11435 1 19 . 1 1 14 14 ALA N N 14 128.730 128.730 128.036 0.694 18797 11436 1 19 . 1 1 14 14 ALA C C 14 176.230 176.230 177.035 -0.805 18797 11437 1 19 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.197 -1.387 18797 11438 1 19 . 1 1 14 14 ALA CB C 14 19.500 19.500 21.251 -1.751 18797 11439 1 19 . 1 1 14 14 ALA H H 14 8.560 8.560 8.370 0.190 18797 11440 1 19 . 1 1 15 15 GLN N N 15 122.750 122.750 122.368 0.382 18797 11441 1 19 . 1 1 15 15 GLN C C 15 176.660 176.660 176.735 -0.075 18797 11442 1 19 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.519 2.601 18797 11443 1 19 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.723 -2.563 18797 11444 1 19 . 1 1 15 15 GLN H H 15 8.340 8.340 8.657 -0.317 18797 11445 1 19 . 1 1 16 16 GLY N N 16 112.800 112.800 109.801 2.999 18797 11446 1 19 . 1 1 16 16 GLY C C 16 174.400 174.400 174.184 0.216 18797 11447 1 19 . 1 1 16 16 GLY CA C 16 45.180 45.180 46.308 -1.128 18797 11448 1 19 . 1 1 16 16 GLY H H 16 8.650 8.650 8.612 0.038 18797 11449 1 19 . 1 1 17 17 GLN N N 17 119.300 119.300 123.143 -3.843 18797 11450 1 19 . 1 1 17 17 GLN C C 17 175.720 175.720 175.084 0.636 18797 11451 1 19 . 1 1 17 17 GLN CA C 17 54.600 54.600 55.842 -1.242 18797 11452 1 19 . 1 1 17 17 GLN CB C 17 32.800 32.800 29.361 3.438 18797 11453 1 19 . 1 1 17 17 GLN H H 17 8.080 8.080 8.684 -0.604 18797 11454 1 19 . 1 1 18 18 MET N N 18 120.170 120.170 119.441 0.729 18797 11455 1 19 . 1 1 18 18 MET C C 18 175.400 175.400 174.404 0.996 18797 11456 1 19 . 1 1 18 18 MET CA C 18 55.980 55.980 54.520 1.460 18797 11457 1 19 . 1 1 18 18 MET CB C 18 35.590 35.590 35.324 0.266 18797 11458 1 19 . 1 1 18 18 MET H H 18 8.370 8.370 7.861 0.509 18797 11459 1 19 . 1 1 19 19 ASN N N 19 117.900 117.900 118.458 -0.558 18797 11460 1 19 . 1 1 19 19 ASN C C 19 174.400 174.400 174.649 -0.249 18797 11461 1 19 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.472 -0.172 18797 11462 1 19 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.061 0.339 18797 11463 1 19 . 1 1 19 19 ASN H H 19 7.990 7.990 8.398 -0.408 18797 11464 1 19 . 1 1 20 20 LYS N N 20 120.800 120.800 118.630 2.170 18797 11465 1 19 . 1 1 20 20 LYS C C 20 176.410 176.410 176.125 0.285 18797 11466 1 19 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.107 -0.407 18797 11467 1 19 . 1 1 20 20 LYS CB C 20 31.900 31.900 32.941 -1.041 18797 11468 1 19 . 1 1 20 20 LYS H H 20 8.340 8.340 8.324 0.016 18797 11469 1 19 . 1 1 21 21 MET N N 21 120.500 120.500 117.357 3.143 18797 11470 1 19 . 1 1 21 21 MET C C 21 175.270 175.270 175.280 -0.010 18797 11471 1 19 . 1 1 21 21 MET CA C 21 54.800 54.800 54.705 0.095 18797 11472 1 19 . 1 1 21 21 MET CB C 21 34.730 34.730 37.513 -2.783 18797 11473 1 19 . 1 1 21 21 MET H H 21 8.580 8.580 7.884 0.696 18797 11474 1 19 . 1 1 22 22 GLY N N 22 111.280 111.280 108.098 3.182 18797 11475 1 19 . 1 1 22 22 GLY C C 22 174.030 174.030 172.342 1.688 18797 11476 1 19 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.992 -0.182 18797 11477 1 19 . 1 1 22 22 GLY H H 22 8.430 8.430 8.338 0.092 18797 11478 1 19 . 1 1 23 23 GLY N N 23 120.170 120.170 110.287 9.883 18797 11479 1 19 . 1 1 23 23 GLY C C 23 171.850 171.850 171.931 -0.081 18797 11480 1 19 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.631 2.519 18797 11481 1 19 . 1 1 23 23 GLY H H 23 8.180 8.180 8.180 0.000 18797 11482 1 19 . 1 1 24 24 PHE N N 24 121.370 121.370 120.589 0.781 18797 11483 1 19 . 1 1 24 24 PHE C C 24 171.570 171.570 174.569 -2.999 18797 11484 1 19 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.117 -1.387 18797 11485 1 19 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.795 0.714 18797 11486 1 19 . 1 1 24 24 PHE H H 24 9.230 9.230 8.629 0.601 18797 11487 1 19 . 1 1 25 25 ASN N N 25 118.950 118.950 119.191 -0.241 18797 11488 1 19 . 1 1 25 25 ASN C C 25 172.080 172.080 173.427 -1.347 18797 11489 1 19 . 1 1 25 25 ASN CA C 25 50.870 50.870 52.166 -1.296 18797 11490 1 19 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.702 3.748 18797 11491 1 19 . 1 1 25 25 ASN H H 25 8.520 8.520 8.729 -0.209 18797 11492 1 19 . 1 1 26 26 LEU N N 26 126.150 126.150 122.537 3.613 18797 11493 1 19 . 1 1 26 26 LEU C C 26 175.620 175.620 175.002 0.618 18797 11494 1 19 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.216 0.274 18797 11495 1 19 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.531 1.099 18797 11496 1 19 . 1 1 26 26 LEU H H 26 9.340 9.340 8.280 1.060 18797 11497 1 19 . 1 1 27 27 LYS N N 27 117.980 117.980 124.058 -6.078 18797 11498 1 19 . 1 1 27 27 LYS C C 27 175.120 175.120 175.155 -0.035 18797 11499 1 19 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.370 0.820 18797 11500 1 19 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.032 0.538 18797 11501 1 19 . 1 1 27 27 LYS H H 27 8.850 8.850 8.240 0.610 18797 11502 1 19 . 1 1 28 28 TYR N N 28 120.820 120.820 120.583 0.237 18797 11503 1 19 . 1 1 28 28 TYR C C 28 172.480 172.480 174.887 -2.407 18797 11504 1 19 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.022 0.258 18797 11505 1 19 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.353 -0.453 18797 11506 1 19 . 1 1 28 28 TYR H H 28 8.430 8.430 8.631 -0.201 18797 11507 1 19 . 1 1 29 29 ARG N N 29 129.660 129.660 121.595 8.065 18797 11508 1 19 . 1 1 29 29 ARG C C 29 172.780 172.780 173.939 -1.159 18797 11509 1 19 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.857 -0.857 18797 11510 1 19 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.878 -0.868 18797 11511 1 19 . 1 1 29 29 ARG H H 29 8.670 8.670 8.011 0.659 18797 11512 1 19 . 1 1 30 30 TYR N N 30 127.210 127.210 121.975 5.235 18797 11513 1 19 . 1 1 30 30 TYR C C 30 175.000 175.000 175.540 -0.540 18797 11514 1 19 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.096 0.734 18797 11515 1 19 . 1 1 30 30 TYR CB C 30 42.140 42.140 41.485 0.655 18797 11516 1 19 . 1 1 30 30 TYR H H 30 8.930 8.930 8.328 0.602 18797 11517 1 19 . 1 1 31 31 GLU N N 31 128.090 128.090 123.418 4.672 18797 11518 1 19 . 1 1 31 31 GLU C C 31 174.250 174.250 176.071 -1.821 18797 11519 1 19 . 1 1 31 31 GLU CA C 31 54.630 54.630 56.217 -1.587 18797 11520 1 19 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.592 1.898 18797 11521 1 19 . 1 1 31 31 GLU H H 31 8.170 8.170 8.721 -0.551 18797 11522 1 19 . 1 1 32 32 GLU N N 32 122.610 122.610 124.757 -2.147 18797 11523 1 19 . 1 1 32 32 GLU C C 32 176.920 176.920 175.535 1.385 18797 11524 1 19 . 1 1 32 32 GLU CA C 32 54.570 54.570 55.116 -0.546 18797 11525 1 19 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.957 -2.187 18797 11526 1 19 . 1 1 32 32 GLU H H 32 9.120 9.120 8.558 0.562 18797 11527 1 19 . 1 1 33 33 ASP N N 33 121.920 121.920 121.298 0.622 18797 11528 1 19 . 1 1 33 33 ASP C C 33 176.990 176.990 176.640 0.350 18797 11529 1 19 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.708 2.162 18797 11530 1 19 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.941 -1.671 18797 11531 1 19 . 1 1 33 33 ASP H H 33 8.600 8.600 8.435 0.165 18797 11532 1 19 . 1 1 34 34 ASN N N 34 115.300 115.300 117.928 -2.628 18797 11533 1 19 . 1 1 34 34 ASN C C 34 174.280 174.280 176.275 -1.995 18797 11534 1 19 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.494 -2.134 18797 11535 1 19 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.467 -0.516 18797 11536 1 19 . 1 1 34 34 ASN H H 34 8.420 8.420 8.541 -0.121 18797 11537 1 19 . 1 1 35 35 SER N N 35 112.970 112.970 113.341 -0.371 18797 11538 1 19 . 1 1 35 35 SER CA C 35 54.260 54.260 58.416 -4.156 18797 11539 1 19 . 1 1 35 35 SER CB C 35 64.920 64.920 63.275 1.645 18797 11540 1 19 . 1 1 35 35 SER H H 35 7.270 7.270 8.040 -0.770 18797 11541 1 19 . 1 1 36 36 PRO CA C 36 63.360 63.360 61.938 1.422 18797 11542 1 19 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.865 -1.395 18797 11543 1 19 . 1 1 37 37 LEU N N 37 123.000 123.000 122.419 0.581 18797 11544 1 19 . 1 1 37 37 LEU C C 37 176.300 176.300 177.428 -1.128 18797 11545 1 19 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.339 -0.499 18797 11546 1 19 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.715 0.975 18797 11547 1 19 . 1 1 37 37 LEU H H 37 7.910 7.910 8.296 -0.386 18797 11548 1 19 . 1 1 38 38 GLY N N 38 117.320 117.320 108.130 9.190 18797 11549 1 19 . 1 1 38 38 GLY C C 38 172.340 172.340 173.582 -1.242 18797 11550 1 19 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.524 -0.094 18797 11551 1 19 . 1 1 38 38 GLY H H 38 9.110 9.110 8.088 1.022 18797 11552 1 19 . 1 1 39 39 VAL N N 39 116.550 116.550 125.496 -8.946 18797 11553 1 19 . 1 1 39 39 VAL C C 39 171.720 171.720 175.194 -3.474 18797 11554 1 19 . 1 1 39 39 VAL CA C 39 59.000 59.000 62.019 -3.019 18797 11555 1 19 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.446 3.164 18797 11556 1 19 . 1 1 39 39 VAL H H 39 7.980 7.980 7.831 0.149 18797 11557 1 19 . 1 1 40 40 ILE N N 40 125.640 125.640 127.277 -1.637 18797 11558 1 19 . 1 1 40 40 ILE C C 40 171.600 171.600 174.997 -3.397 18797 11559 1 19 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.601 -1.061 18797 11560 1 19 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.234 2.896 18797 11561 1 19 . 1 1 40 40 ILE H H 40 9.160 9.160 8.536 0.624 18797 11562 1 19 . 1 1 41 41 GLY N N 41 111.830 111.830 112.690 -0.860 18797 11563 1 19 . 1 1 41 41 GLY C C 41 172.000 172.000 171.972 0.028 18797 11564 1 19 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.061 -0.911 18797 11565 1 19 . 1 1 41 41 GLY H H 41 8.930 8.930 8.550 0.380 18797 11566 1 19 . 1 1 42 42 SER N N 42 116.940 116.940 117.237 -0.297 18797 11567 1 19 . 1 1 42 42 SER C C 42 172.100 172.100 172.845 -0.745 18797 11568 1 19 . 1 1 42 42 SER CA C 42 56.220 56.220 56.328 -0.108 18797 11569 1 19 . 1 1 42 42 SER CB C 42 62.920 62.920 66.680 -3.760 18797 11570 1 19 . 1 1 42 42 SER H H 42 9.190 9.190 8.261 0.929 18797 11571 1 19 . 1 1 43 43 PHE N N 43 129.230 129.230 120.094 9.136 18797 11572 1 19 . 1 1 43 43 PHE C C 43 172.920 172.920 175.653 -2.733 18797 11573 1 19 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.294 -0.334 18797 11574 1 19 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.514 -0.084 18797 11575 1 19 . 1 1 43 43 PHE H H 43 9.300 9.300 8.434 0.866 18797 11576 1 19 . 1 1 44 44 THR N N 44 126.530 126.530 118.598 7.932 18797 11577 1 19 . 1 1 44 44 THR C C 44 171.340 171.340 173.134 -1.794 18797 11578 1 19 . 1 1 44 44 THR CA C 44 60.410 60.410 61.231 -0.821 18797 11579 1 19 . 1 1 44 44 THR CB C 44 70.220 70.220 71.429 -1.209 18797 11580 1 19 . 1 1 44 44 THR H H 44 8.820 8.820 8.503 0.317 18797 11581 1 19 . 1 1 45 45 TYR N N 45 125.840 125.840 124.815 1.025 18797 11582 1 19 . 1 1 45 45 TYR C C 45 174.000 174.000 175.558 -1.558 18797 11583 1 19 . 1 1 45 45 TYR CA C 45 55.670 55.670 55.835 -0.165 18797 11584 1 19 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.135 -1.135 18797 11585 1 19 . 1 1 45 45 TYR H H 45 8.210 8.210 8.744 -0.534 18797 11586 1 19 . 1 1 46 46 THR N N 46 117.670 117.670 114.655 3.015 18797 11587 1 19 . 1 1 46 46 THR C C 46 171.910 171.910 174.439 -2.529 18797 11588 1 19 . 1 1 46 46 THR CA C 46 58.720 58.720 60.094 -1.374 18797 11589 1 19 . 1 1 46 46 THR CB C 46 71.710 71.710 71.167 0.543 18797 11590 1 19 . 1 1 46 46 THR H H 46 8.550 8.550 8.348 0.202 18797 11591 1 19 . 1 1 47 47 GLU N N 47 112.160 112.160 123.784 -11.624 18797 11592 1 19 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.275 -0.695 18797 11593 1 19 . 1 1 47 47 GLU CB C 47 32.670 32.670 35.098 -2.428 18797 11594 1 19 . 1 1 47 47 GLU H H 47 8.170 8.170 8.933 -0.763 18797 11595 1 19 . 1 1 49 49 SER CA C 49 58.210 58.210 57.831 0.379 18797 11596 1 19 . 1 1 49 49 SER CB C 49 64.070 64.070 63.398 0.672 18797 11597 1 19 . 1 1 49 49 SER H H 49 174.130 174.130 8.676 165.454 18797 11598 1 19 . 1 1 50 50 ARG N N 50 124.000 124.000 125.464 -1.464 18797 11599 1 19 . 1 1 50 50 ARG C C 50 176.270 176.270 175.862 0.408 18797 11600 1 19 . 1 1 50 50 ARG CA C 50 55.960 55.960 54.464 1.496 18797 11601 1 19 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.710 0.270 18797 11602 1 19 . 1 1 50 50 ARG H H 50 8.600 8.600 8.669 -0.069 18797 11603 1 19 . 1 1 51 51 THR N N 51 115.720 115.720 112.552 3.168 18797 11604 1 19 . 1 1 51 51 THR C C 51 174.400 174.400 174.534 -0.134 18797 11605 1 19 . 1 1 51 51 THR CA C 51 61.820 61.820 61.837 -0.017 18797 11606 1 19 . 1 1 51 51 THR H H 51 8.240 8.240 8.035 0.205 18797 11607 1 19 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.577 -0.577 18797 11608 1 19 . 1 1 52 52 ALA CB C 52 18.800 18.800 18.661 0.139 18797 11609 1 19 . 1 1 52 52 ALA H H 52 175.230 175.230 8.530 166.700 18797 11610 1 19 . 1 1 53 53 SER N N 53 113.990 113.990 119.705 -5.715 18797 11611 1 19 . 1 1 53 53 SER C C 53 175.360 175.360 173.846 1.514 18797 11612 1 19 . 1 1 53 53 SER CA C 53 58.350 58.350 57.539 0.811 18797 11613 1 19 . 1 1 53 53 SER CB C 53 62.930 62.930 65.065 -2.135 18797 11614 1 19 . 1 1 53 53 SER H H 53 8.000 8.000 8.281 -0.281 18797 11615 1 19 . 1 1 54 54 SER N N 54 113.510 113.510 117.033 -3.523 18797 11616 1 19 . 1 1 54 54 SER C C 54 173.880 173.880 175.732 -1.852 18797 11617 1 19 . 1 1 54 54 SER CA C 54 58.500 58.500 59.733 -1.233 18797 11618 1 19 . 1 1 54 54 SER CB C 54 62.960 62.960 63.143 -0.183 18797 11619 1 19 . 1 1 54 54 SER H H 54 8.050 8.050 8.599 -0.549 18797 11620 1 19 . 1 1 55 55 GLY N N 55 112.640 112.640 108.979 3.661 18797 11621 1 19 . 1 1 55 55 GLY CA C 55 44.200 44.200 45.070 -0.870 18797 11622 1 19 . 1 1 55 55 GLY H H 55 8.140 8.140 7.925 0.215 18797 11623 1 19 . 1 1 56 56 ASP CA C 56 54.100 54.100 55.082 -0.982 18797 11624 1 19 . 1 1 56 56 ASP CB C 56 41.000 41.000 38.709 2.291 18797 11625 1 19 . 1 1 56 56 ASP H H 56 175.600 175.600 7.608 167.992 18797 11626 1 19 . 1 1 57 57 TYR N N 57 121.140 121.140 122.435 -1.295 18797 11627 1 19 . 1 1 57 57 TYR CA C 57 57.280 57.280 60.287 -3.007 18797 11628 1 19 . 1 1 57 57 TYR CB C 57 38.400 38.400 38.919 -0.519 18797 11629 1 19 . 1 1 57 57 TYR H H 57 8.150 8.150 8.586 -0.436 18797 11630 1 19 . 1 1 59 59 LYS CA C 59 55.410 55.410 58.724 -3.314 18797 11631 1 19 . 1 1 59 59 LYS CB C 59 34.220 34.220 32.854 1.366 18797 11632 1 19 . 1 1 60 60 ASN N N 60 122.740 122.740 116.107 6.633 18797 11633 1 19 . 1 1 60 60 ASN C C 60 175.260 175.260 173.515 1.745 18797 11634 1 19 . 1 1 60 60 ASN CA C 60 52.200 52.200 51.720 0.480 18797 11635 1 19 . 1 1 60 60 ASN CB C 60 40.230 40.230 39.410 0.820 18797 11636 1 19 . 1 1 60 60 ASN H H 60 8.360 8.360 7.821 0.539 18797 11637 1 19 . 1 1 61 61 GLN N N 61 120.450 120.450 123.465 -3.015 18797 11638 1 19 . 1 1 61 61 GLN C C 61 172.500 172.500 174.197 -1.697 18797 11639 1 19 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.145 0.596 18797 11640 1 19 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.213 1.627 18797 11641 1 19 . 1 1 61 61 GLN H H 61 8.530 8.530 7.769 0.761 18797 11642 1 19 . 1 1 62 62 TYR N N 62 123.620 123.620 120.021 3.599 18797 11643 1 19 . 1 1 62 62 TYR C C 62 171.430 171.430 174.913 -3.483 18797 11644 1 19 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.798 1.042 18797 11645 1 19 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.846 -1.916 18797 11646 1 19 . 1 1 62 62 TYR H H 62 8.610 8.610 8.228 0.382 18797 11647 1 19 . 1 1 63 63 TYR N N 63 123.920 123.920 120.998 2.922 18797 11648 1 19 . 1 1 63 63 TYR C C 63 174.280 174.280 175.361 -1.081 18797 11649 1 19 . 1 1 63 63 TYR CA C 63 54.580 54.580 56.318 -1.738 18797 11650 1 19 . 1 1 63 63 TYR CB C 63 41.320 41.320 40.905 0.415 18797 11651 1 19 . 1 1 63 63 TYR H H 63 8.400 8.400 8.813 -0.413 18797 11652 1 19 . 1 1 64 64 GLY N N 64 107.510 107.510 110.630 -3.120 18797 11653 1 19 . 1 1 64 64 GLY C C 64 174.090 174.090 172.217 1.873 18797 11654 1 19 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.938 0.632 18797 11655 1 19 . 1 1 64 64 GLY H H 64 8.760 8.760 8.697 0.063 18797 11656 1 19 . 1 1 65 65 ILE N N 65 128.470 128.470 126.011 2.459 18797 11657 1 19 . 1 1 65 65 ILE C C 65 174.350 174.350 174.999 -0.649 18797 11658 1 19 . 1 1 65 65 ILE CA C 65 59.960 59.960 60.073 -0.113 18797 11659 1 19 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.121 -0.381 18797 11660 1 19 . 1 1 65 65 ILE H H 65 8.900 8.900 8.270 0.630 18797 11661 1 19 . 1 1 66 66 THR N N 66 115.890 115.890 118.658 -2.768 18797 11662 1 19 . 1 1 66 66 THR C C 66 172.600 172.600 173.048 -0.448 18797 11663 1 19 . 1 1 66 66 THR CA C 66 58.670 58.670 59.430 -0.760 18797 11664 1 19 . 1 1 66 66 THR CB C 66 73.100 73.100 71.907 1.193 18797 11665 1 19 . 1 1 66 66 THR H H 66 8.900 8.900 8.409 0.491 18797 11666 1 19 . 1 1 67 67 ALA N N 67 119.730 119.730 123.144 -3.414 18797 11667 1 19 . 1 1 67 67 ALA C C 67 176.670 176.670 175.439 1.231 18797 11668 1 19 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.498 1.002 18797 11669 1 19 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.818 -0.758 18797 11670 1 19 . 1 1 67 67 ALA H H 67 9.370 9.370 8.725 0.645 18797 11671 1 19 . 1 1 68 68 GLY N N 68 104.240 104.240 106.572 -2.332 18797 11672 1 19 . 1 1 68 68 GLY CA C 68 45.920 45.920 43.968 1.952 18797 11673 1 19 . 1 1 68 68 GLY H H 68 8.900 8.900 8.213 0.687 18797 11674 1 19 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.058 -0.018 18797 11675 1 19 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.696 -0.006 18797 11676 1 19 . 1 1 70 70 ALA N N 70 120.220 120.220 127.030 -6.810 18797 11677 1 19 . 1 1 70 70 ALA C C 70 175.590 175.590 176.034 -0.444 18797 11678 1 19 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.081 -1.591 18797 11679 1 19 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.708 0.272 18797 11680 1 19 . 1 1 70 70 ALA H H 70 7.870 7.870 8.455 -0.585 18797 11681 1 19 . 1 1 71 71 TYR N N 71 126.080 126.080 122.055 4.025 18797 11682 1 19 . 1 1 71 71 TYR C C 71 174.090 174.090 175.283 -1.193 18797 11683 1 19 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.083 -0.963 18797 11684 1 19 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.010 -0.090 18797 11685 1 19 . 1 1 71 71 TYR H H 71 9.780 9.780 9.109 0.671 18797 11686 1 19 . 1 1 72 72 ARG N N 72 131.410 131.410 125.718 5.692 18797 11687 1 19 . 1 1 72 72 ARG C C 72 174.160 174.160 174.859 -0.699 18797 11688 1 19 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.516 0.504 18797 11689 1 19 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.779 -1.159 18797 11690 1 19 . 1 1 72 72 ARG H H 72 8.770 8.770 8.767 0.003 18797 11691 1 19 . 1 1 73 73 ILE N N 73 129.550 129.550 127.313 2.237 18797 11692 1 19 . 1 1 73 73 ILE C C 73 175.730 175.730 176.036 -0.306 18797 11693 1 19 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.601 2.349 18797 11694 1 19 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.142 -0.632 18797 11695 1 19 . 1 1 73 73 ILE H H 73 8.400 8.400 7.841 0.559 18797 11696 1 19 . 1 1 74 74 ASN N N 74 114.870 114.870 124.848 -9.978 18797 11697 1 19 . 1 1 74 74 ASN C C 74 174.860 174.860 175.051 -0.191 18797 11698 1 19 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.827 -2.997 18797 11699 1 19 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.605 -1.765 18797 11700 1 19 . 1 1 74 74 ASN H H 74 7.920 7.920 8.638 -0.718 18797 11701 1 19 . 1 1 75 75 ASP N N 75 113.980 113.980 118.526 -4.546 18797 11702 1 19 . 1 1 75 75 ASP C C 75 175.820 175.820 176.876 -1.056 18797 11703 1 19 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.552 3.368 18797 11704 1 19 . 1 1 75 75 ASP CB C 75 40.230 40.230 41.516 -1.286 18797 11705 1 19 . 1 1 75 75 ASP H H 75 8.320 8.320 7.720 0.600 18797 11706 1 19 . 1 1 76 76 TRP N N 76 113.600 113.600 121.540 -7.940 18797 11707 1 19 . 1 1 76 76 TRP C C 76 176.310 176.310 175.501 0.809 18797 11708 1 19 . 1 1 76 76 TRP CA C 76 55.410 55.410 56.855 -1.445 18797 11709 1 19 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.623 2.537 18797 11710 1 19 . 1 1 76 76 TRP H H 76 7.970 7.970 8.399 -0.429 18797 11711 1 19 . 1 1 77 77 ALA N N 77 125.520 125.520 121.402 4.118 18797 11712 1 19 . 1 1 77 77 ALA C C 77 175.620 175.620 177.035 -1.415 18797 11713 1 19 . 1 1 77 77 ALA CA C 77 52.070 52.070 50.999 1.071 18797 11714 1 19 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.761 1.379 18797 11715 1 19 . 1 1 77 77 ALA H H 77 7.740 7.740 7.460 0.280 18797 11716 1 19 . 1 1 78 78 SER N N 78 114.140 114.140 115.966 -1.826 18797 11717 1 19 . 1 1 78 78 SER C C 78 170.060 170.060 173.821 -3.761 18797 11718 1 19 . 1 1 78 78 SER CA C 78 57.250 57.250 59.933 -2.683 18797 11719 1 19 . 1 1 78 78 SER CB C 78 65.320 65.320 64.080 1.240 18797 11720 1 19 . 1 1 78 78 SER H H 78 8.100 8.100 7.341 0.759 18797 11721 1 19 . 1 1 79 79 ILE N N 79 120.650 120.650 117.299 3.351 18797 11722 1 19 . 1 1 79 79 ILE C C 79 172.470 172.470 174.389 -1.919 18797 11723 1 19 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.215 -0.765 18797 11724 1 19 . 1 1 79 79 ILE CB C 79 42.100 42.100 42.024 0.076 18797 11725 1 19 . 1 1 79 79 ILE H H 79 8.960 8.960 8.183 0.777 18797 11726 1 19 . 1 1 80 80 TYR N N 80 120.580 120.580 121.112 -0.532 18797 11727 1 19 . 1 1 80 80 TYR C C 80 173.000 173.000 173.839 -0.839 18797 11728 1 19 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.535 0.445 18797 11729 1 19 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.146 -0.116 18797 11730 1 19 . 1 1 80 80 TYR H H 80 8.360 8.360 8.515 -0.155 18797 11731 1 19 . 1 1 81 81 GLY N N 81 106.140 106.140 107.738 -1.598 18797 11732 1 19 . 1 1 81 81 GLY C C 81 170.920 170.920 172.223 -1.303 18797 11733 1 19 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.897 0.103 18797 11734 1 19 . 1 1 81 81 GLY H H 81 8.050 8.050 8.298 -0.248 18797 11735 1 19 . 1 1 82 82 VAL N N 82 111.380 111.380 122.871 -11.491 18797 11736 1 19 . 1 1 82 82 VAL C C 82 174.370 174.370 173.910 0.460 18797 11737 1 19 . 1 1 82 82 VAL CA C 82 58.180 58.180 60.941 -2.761 18797 11738 1 19 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.823 -0.383 18797 11739 1 19 . 1 1 82 82 VAL H H 82 8.490 8.490 8.590 -0.100 18797 11740 1 19 . 1 1 83 83 VAL N N 83 113.660 113.660 125.626 -11.966 18797 11741 1 19 . 1 1 83 83 VAL C C 83 174.680 174.680 173.874 0.806 18797 11742 1 19 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.329 -0.239 18797 11743 1 19 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.913 0.108 18797 11744 1 19 . 1 1 83 83 VAL H H 83 8.970 8.970 8.562 0.408 18797 11745 1 19 . 1 1 84 84 GLY N N 84 108.310 108.310 114.034 -5.724 18797 11746 1 19 . 1 1 84 84 GLY C C 84 171.440 171.440 171.703 -0.263 18797 11747 1 19 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.336 2.434 18797 11748 1 19 . 1 1 84 84 GLY H H 84 8.480 8.480 8.384 0.096 18797 11749 1 19 . 1 1 85 85 VAL N N 85 122.520 122.520 119.332 3.188 18797 11750 1 19 . 1 1 85 85 VAL C C 85 172.560 172.560 175.039 -2.479 18797 11751 1 19 . 1 1 85 85 VAL CA C 85 59.170 59.170 60.820 -1.650 18797 11752 1 19 . 1 1 85 85 VAL CB C 85 35.810 35.810 33.896 1.914 18797 11753 1 19 . 1 1 85 85 VAL H H 85 8.920 8.920 7.985 0.935 18797 11754 1 19 . 1 1 86 86 GLY N N 86 113.360 113.360 113.826 -0.466 18797 11755 1 19 . 1 1 86 86 GLY C C 86 172.210 172.210 172.232 -0.022 18797 11756 1 19 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.591 -0.311 18797 11757 1 19 . 1 1 86 86 GLY H H 86 8.880 8.880 8.283 0.597 18797 11758 1 19 . 1 1 87 87 TYR N N 87 123.830 123.830 122.733 1.097 18797 11759 1 19 . 1 1 87 87 TYR C C 87 174.030 174.030 175.417 -1.387 18797 11760 1 19 . 1 1 87 87 TYR CA C 87 55.930 55.930 56.020 -0.090 18797 11761 1 19 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.713 0.317 18797 11762 1 19 . 1 1 87 87 TYR H H 87 9.310 9.310 8.848 0.462 18797 11763 1 19 . 1 1 88 88 GLY N N 88 112.300 112.300 110.164 2.136 18797 11764 1 19 . 1 1 88 88 GLY C C 88 170.620 170.620 172.014 -1.394 18797 11765 1 19 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.281 1.119 18797 11766 1 19 . 1 1 88 88 GLY H H 88 8.000 8.000 8.900 -0.900 18797 11767 1 19 . 1 1 89 89 LYS N N 89 122.410 122.410 123.906 -1.496 18797 11768 1 19 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.968 -0.488 18797 11769 1 19 . 1 1 89 89 LYS H H 89 8.230 8.230 7.985 0.245 18797 11770 1 19 . 1 1 90 90 PHE C C 90 175.190 175.190 176.160 -0.970 18797 11771 1 19 . 1 1 90 90 PHE CA C 90 55.030 55.030 56.775 -1.745 18797 11772 1 19 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.482 -0.972 18797 11773 1 19 . 1 1 91 91 GLN N N 91 122.380 122.380 123.689 -1.309 18797 11774 1 19 . 1 1 91 91 GLN CA C 91 55.330 55.330 55.568 -0.238 18797 11775 1 19 . 1 1 91 91 GLN CB C 91 29.700 29.700 30.748 -1.048 18797 11776 1 19 . 1 1 91 91 GLN H H 91 8.370 8.370 8.189 0.181 18797 11777 1 19 . 1 1 94 94 GLU N N 94 175.780 175.780 122.330 53.450 18797 11778 1 19 . 1 1 94 94 GLU CA C 94 57.030 57.030 57.171 -0.141 18797 11779 1 19 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.090 0.370 18797 11780 1 19 . 1 1 95 95 TYR N N 95 120.240 120.240 122.827 -2.587 18797 11781 1 19 . 1 1 95 95 TYR CA C 95 55.290 55.290 56.068 -0.778 18797 11782 1 19 . 1 1 95 95 TYR CB C 95 37.730 37.730 40.129 -2.399 18797 11783 1 19 . 1 1 95 95 TYR H H 95 7.830 7.830 7.865 -0.035 18797 11784 1 19 . 1 1 97 97 THR CA C 97 62.210 62.210 63.321 -1.111 18797 11785 1 19 . 1 1 97 97 THR H H 97 174.320 174.320 8.229 166.091 18797 11786 1 19 . 1 1 98 98 TYR N N 98 122.540 122.540 125.748 -3.208 18797 11787 1 19 . 1 1 98 98 TYR C C 98 175.000 175.000 174.198 0.802 18797 11788 1 19 . 1 1 98 98 TYR CA C 98 57.530 57.530 57.425 0.105 18797 11789 1 19 . 1 1 98 98 TYR CB C 98 38.350 38.350 41.494 -3.144 18797 11790 1 19 . 1 1 98 98 TYR H H 98 8.040 8.040 8.370 -0.330 18797 11791 1 19 . 1 1 101 101 ASP CA C 101 54.020 54.020 56.122 -2.102 18797 11792 1 19 . 1 1 101 101 ASP CB C 101 39.700 39.700 40.858 -1.158 18797 11793 1 19 . 1 1 101 101 ASP H H 101 176.040 176.040 8.937 167.103 18797 11794 1 19 . 1 1 102 102 THR N N 102 117.650 117.650 108.825 8.825 18797 11795 1 19 . 1 1 102 102 THR C C 102 173.840 173.840 174.602 -0.762 18797 11796 1 19 . 1 1 102 102 THR CA C 102 61.590 61.590 62.729 -1.139 18797 11797 1 19 . 1 1 102 102 THR CB C 102 69.970 69.970 68.365 1.605 18797 11798 1 19 . 1 1 102 102 THR H H 102 8.520 8.520 8.021 0.499 18797 11799 1 19 . 1 1 103 103 SER N N 103 119.470 119.470 118.984 0.486 18797 11800 1 19 . 1 1 103 103 SER C C 103 173.580 173.580 174.156 -0.576 18797 11801 1 19 . 1 1 103 103 SER CA C 103 57.310 57.310 59.118 -1.808 18797 11802 1 19 . 1 1 103 103 SER H H 103 8.240 8.240 8.505 -0.265 18797 11803 1 19 . 1 1 104 104 ASP N N 104 122.250 122.250 125.449 -3.199 18797 11804 1 19 . 1 1 104 104 ASP C C 104 173.100 173.100 174.286 -1.186 18797 11805 1 19 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.456 0.144 18797 11806 1 19 . 1 1 104 104 ASP CB C 104 44.060 44.060 42.536 1.524 18797 11807 1 19 . 1 1 104 104 ASP H H 104 8.270 8.270 8.200 0.070 18797 11808 1 19 . 1 1 105 105 TYR N N 105 116.040 116.040 118.514 -2.474 18797 11809 1 19 . 1 1 105 105 TYR C C 105 175.860 175.860 175.072 0.788 18797 11810 1 19 . 1 1 105 105 TYR CA C 105 55.550 55.550 55.321 0.229 18797 11811 1 19 . 1 1 105 105 TYR CB C 105 41.630 41.630 40.575 1.055 18797 11812 1 19 . 1 1 105 105 TYR H H 105 8.560 8.560 8.306 0.254 18797 11813 1 19 . 1 1 106 106 GLY N N 106 108.500 108.500 108.412 0.088 18797 11814 1 19 . 1 1 106 106 GLY C C 106 172.030 172.030 171.333 0.697 18797 11815 1 19 . 1 1 106 106 GLY CA C 106 44.490 44.490 43.959 0.531 18797 11816 1 19 . 1 1 106 106 GLY H H 106 9.190 9.190 8.193 0.997 18797 11817 1 19 . 1 1 107 107 PHE N N 107 121.420 121.420 118.314 3.106 18797 11818 1 19 . 1 1 107 107 PHE C C 107 175.430 175.430 174.976 0.454 18797 11819 1 19 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.847 0.693 18797 11820 1 19 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.377 -1.177 18797 11821 1 19 . 1 1 107 107 PHE H H 107 8.860 8.860 8.466 0.394 18797 11822 1 19 . 1 1 108 108 SER N N 108 123.250 123.250 117.595 5.655 18797 11823 1 19 . 1 1 108 108 SER C C 108 171.430 171.430 172.896 -1.466 18797 11824 1 19 . 1 1 108 108 SER CA C 108 56.100 56.100 56.251 -0.151 18797 11825 1 19 . 1 1 108 108 SER CB C 108 65.720 65.720 65.190 0.530 18797 11826 1 19 . 1 1 108 108 SER H H 108 8.110 8.110 8.259 -0.149 18797 11827 1 19 . 1 1 109 109 TYR N N 109 117.840 117.840 124.703 -6.863 18797 11828 1 19 . 1 1 109 109 TYR C C 109 173.560 173.560 175.180 -1.620 18797 11829 1 19 . 1 1 109 109 TYR CA C 109 55.320 55.320 55.913 -0.593 18797 11830 1 19 . 1 1 109 109 TYR CB C 109 39.560 39.560 43.005 -3.445 18797 11831 1 19 . 1 1 109 109 TYR H H 109 8.480 8.480 8.366 0.114 18797 11832 1 19 . 1 1 110 110 GLY N N 110 106.400 106.400 107.445 -1.045 18797 11833 1 19 . 1 1 110 110 GLY C C 110 171.350 171.350 171.529 -0.179 18797 11834 1 19 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.610 1.550 18797 11835 1 19 . 1 1 110 110 GLY H H 110 8.980 8.980 8.769 0.211 18797 11836 1 19 . 1 1 111 111 ALA N N 111 119.140 119.140 120.281 -1.141 18797 11837 1 19 . 1 1 111 111 ALA C C 111 174.640 174.640 174.896 -0.256 18797 11838 1 19 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.665 0.305 18797 11839 1 19 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.749 -0.599 18797 11840 1 19 . 1 1 111 111 ALA H H 111 8.390 8.390 8.041 0.349 18797 11841 1 19 . 1 1 112 112 GLY N N 112 106.070 106.070 106.834 -0.764 18797 11842 1 19 . 1 1 112 112 GLY C C 112 169.770 169.770 171.494 -1.724 18797 11843 1 19 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.426 0.844 18797 11844 1 19 . 1 1 112 112 GLY H H 112 7.820 7.820 7.681 0.139 18797 11845 1 19 . 1 1 113 113 LEU N N 113 116.370 116.370 120.423 -4.053 18797 11846 1 19 . 1 1 113 113 LEU C C 113 175.090 175.090 174.568 0.522 18797 11847 1 19 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.055 -0.365 18797 11848 1 19 . 1 1 113 113 LEU CB C 113 46.560 46.560 46.829 -0.269 18797 11849 1 19 . 1 1 113 113 LEU H H 113 8.930 8.930 8.470 0.460 18797 11850 1 19 . 1 1 114 114 GLN N N 114 115.860 115.860 122.953 -7.093 18797 11851 1 19 . 1 1 114 114 GLN C C 114 176.910 176.910 174.217 2.693 18797 11852 1 19 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.207 -0.477 18797 11853 1 19 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.437 0.853 18797 11854 1 19 . 1 1 114 114 GLN H H 114 7.860 7.860 8.338 -0.478 18797 11855 1 19 . 1 1 115 115 PHE N N 115 126.580 126.580 124.749 1.831 18797 11856 1 19 . 1 1 115 115 PHE C C 115 175.740 175.740 173.620 2.120 18797 11857 1 19 . 1 1 115 115 PHE CA C 115 55.200 55.200 57.289 -2.089 18797 11858 1 19 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.733 1.637 18797 11859 1 19 . 1 1 115 115 PHE H H 115 9.750 9.750 8.855 0.895 18797 11860 1 19 . 1 1 116 116 ASN N N 116 119.920 119.920 120.721 -0.801 18797 11861 1 19 . 1 1 116 116 ASN CA C 116 51.200 51.200 49.844 1.356 18797 11862 1 19 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.022 0.629 18797 11863 1 19 . 1 1 116 116 ASN H H 116 9.450 9.450 8.324 1.126 18797 11864 1 19 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.458 2.242 18797 11865 1 19 . 1 1 118 118 MET N N 118 110.530 110.530 118.721 -8.191 18797 11866 1 19 . 1 1 118 118 MET C C 118 176.130 176.130 177.311 -1.181 18797 11867 1 19 . 1 1 118 118 MET CA C 118 53.980 53.980 56.946 -2.966 18797 11868 1 19 . 1 1 118 118 MET CB C 118 36.310 36.310 32.573 3.737 18797 11869 1 19 . 1 1 118 118 MET H H 118 7.310 7.310 8.310 -1.000 18797 11870 1 19 . 1 1 119 119 GLU N N 119 120.320 120.320 120.661 -0.341 18797 11871 1 19 . 1 1 119 119 GLU C C 119 176.810 176.810 177.813 -1.003 18797 11872 1 19 . 1 1 119 119 GLU CA C 119 59.600 59.600 58.267 1.333 18797 11873 1 19 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.092 0.058 18797 11874 1 19 . 1 1 119 119 GLU H H 119 9.120 9.120 8.763 0.357 18797 11875 1 19 . 1 1 120 120 ASN N N 120 112.490 112.490 119.504 -7.014 18797 11876 1 19 . 1 1 120 120 ASN C C 120 174.080 174.080 176.467 -2.387 18797 11877 1 19 . 1 1 120 120 ASN CA C 120 53.400 53.400 54.874 -1.474 18797 11878 1 19 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.350 0.480 18797 11879 1 19 . 1 1 120 120 ASN H H 120 8.430 8.430 8.751 -0.321 18797 11880 1 19 . 1 1 121 121 VAL N N 121 117.760 117.760 117.943 -0.183 18797 11881 1 19 . 1 1 121 121 VAL C C 121 174.750 174.750 175.342 -0.592 18797 11882 1 19 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.648 -1.958 18797 11883 1 19 . 1 1 121 121 VAL CB C 121 34.900 34.900 30.019 4.881 18797 11884 1 19 . 1 1 121 121 VAL H H 121 7.500 7.500 7.282 0.218 18797 11885 1 19 . 1 1 122 122 ALA N N 122 127.190 127.190 123.701 3.489 18797 11886 1 19 . 1 1 122 122 ALA C C 122 175.140 175.140 175.050 0.090 18797 11887 1 19 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.746 -1.357 18797 11888 1 19 . 1 1 122 122 ALA CB C 122 22.820 22.820 22.062 0.758 18797 11889 1 19 . 1 1 122 122 ALA H H 122 8.230 8.230 7.274 0.956 18797 11890 1 19 . 1 1 123 123 LEU N N 123 120.270 120.270 124.027 -3.757 18797 11891 1 19 . 1 1 123 123 LEU C C 123 174.310 174.310 174.739 -0.429 18797 11892 1 19 . 1 1 123 123 LEU CA C 123 53.660 53.660 54.303 -0.643 18797 11893 1 19 . 1 1 123 123 LEU CB C 123 44.510 44.510 47.368 -2.858 18797 11894 1 19 . 1 1 123 123 LEU H H 123 8.910 8.910 8.688 0.222 18797 11895 1 19 . 1 1 124 124 ASP N N 124 127.350 127.350 124.782 2.568 18797 11896 1 19 . 1 1 124 124 ASP C C 124 171.830 171.830 174.408 -2.578 18797 11897 1 19 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.844 0.976 18797 11898 1 19 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.899 2.591 18797 11899 1 19 . 1 1 124 124 ASP H H 124 8.580 8.580 8.714 -0.134 18797 11900 1 19 . 1 1 125 125 PHE N N 125 123.390 123.390 127.360 -3.970 18797 11901 1 19 . 1 1 125 125 PHE C C 125 174.130 174.130 173.525 0.605 18797 11902 1 19 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.463 -0.803 18797 11903 1 19 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.323 -0.623 18797 11904 1 19 . 1 1 125 125 PHE H H 125 8.670 8.670 8.492 0.178 18797 11905 1 19 . 1 1 126 126 SER N N 126 118.680 118.680 122.029 -3.349 18797 11906 1 19 . 1 1 126 126 SER C C 126 169.980 169.980 171.919 -1.939 18797 11907 1 19 . 1 1 126 126 SER CA C 126 58.120 58.120 56.534 1.586 18797 11908 1 19 . 1 1 126 126 SER CB C 126 66.950 66.950 65.914 1.036 18797 11909 1 19 . 1 1 126 126 SER H H 126 9.390 9.390 8.151 1.239 18797 11910 1 19 . 1 1 127 127 TYR N N 127 119.080 119.080 124.702 -5.622 18797 11911 1 19 . 1 1 127 127 TYR C C 127 174.390 174.390 173.274 1.116 18797 11912 1 19 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.094 -0.654 18797 11913 1 19 . 1 1 127 127 TYR CB C 127 43.100 43.100 42.269 0.831 18797 11914 1 19 . 1 1 127 127 TYR H H 127 8.610 8.610 8.533 0.077 18797 11915 1 19 . 1 1 128 128 GLU N N 128 130.070 130.070 124.323 5.747 18797 11916 1 19 . 1 1 128 128 GLU C C 128 172.590 172.590 174.699 -2.109 18797 11917 1 19 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.043 0.087 18797 11918 1 19 . 1 1 128 128 GLU CB C 128 33.500 33.500 34.031 -0.531 18797 11919 1 19 . 1 1 128 128 GLU H H 128 8.510 8.510 7.679 0.831 18797 11920 1 19 . 1 1 129 129 GLN N N 129 128.670 128.670 120.574 8.096 18797 11921 1 19 . 1 1 129 129 GLN C C 129 173.690 173.690 174.681 -0.991 18797 11922 1 19 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.837 -0.627 18797 11923 1 19 . 1 1 129 129 GLN CB C 129 31.050 31.050 33.035 -1.985 18797 11924 1 19 . 1 1 129 129 GLN H H 129 9.330 9.330 8.782 0.548 18797 11925 1 19 . 1 1 130 130 SER N N 130 118.630 118.630 117.704 0.926 18797 11926 1 19 . 1 1 130 130 SER C C 130 174.210 174.210 174.033 0.177 18797 11927 1 19 . 1 1 130 130 SER CA C 130 56.450 56.450 56.638 -0.188 18797 11928 1 19 . 1 1 130 130 SER CB C 130 66.260 66.260 65.179 1.081 18797 11929 1 19 . 1 1 130 130 SER H H 130 8.580 8.580 7.990 0.590 18797 11930 1 19 . 1 1 131 131 ARG N N 131 126.850 126.850 126.123 0.727 18797 11931 1 19 . 1 1 131 131 ARG C C 131 174.740 174.740 175.871 -1.131 18797 11932 1 19 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.605 -0.265 18797 11933 1 19 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.636 -0.726 18797 11934 1 19 . 1 1 131 131 ARG H H 131 7.690 7.690 8.767 -1.077 18797 11935 1 19 . 1 1 132 132 ILE N N 132 129.470 129.470 127.075 2.395 18797 11936 1 19 . 1 1 132 132 ILE C C 132 175.500 175.500 176.385 -0.885 18797 11937 1 19 . 1 1 132 132 ILE CA C 132 58.890 58.890 60.364 -1.474 18797 11938 1 19 . 1 1 132 132 ILE CB C 132 38.320 38.320 35.824 2.496 18797 11939 1 19 . 1 1 132 132 ILE H H 132 8.730 8.730 8.664 0.066 18797 11940 1 19 . 1 1 133 133 ARG N N 133 127.220 127.220 128.164 -0.944 18797 11941 1 19 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.267 2.843 18797 11942 1 19 . 1 1 133 133 ARG CB C 133 27.320 27.320 31.149 -3.829 18797 11943 1 19 . 1 1 133 133 ARG H H 133 9.400 9.400 8.000 1.400 18797 11944 1 19 . 1 1 134 134 SER C C 134 173.290 173.290 173.650 -0.360 18797 11945 1 19 . 1 1 134 134 SER CA C 134 58.490 58.490 60.889 -2.399 18797 11946 1 19 . 1 1 134 134 SER CB C 134 62.860 62.860 62.993 -0.133 18797 11947 1 19 . 1 1 135 135 VAL N N 135 124.810 124.810 120.006 4.804 18797 11948 1 19 . 1 1 135 135 VAL C C 135 174.650 174.650 174.583 0.067 18797 11949 1 19 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.428 0.442 18797 11950 1 19 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.416 -2.356 18797 11951 1 19 . 1 1 135 135 VAL H H 135 8.270 8.270 7.427 0.843 18797 11952 1 19 . 1 1 136 136 ASP N N 136 127.750 127.750 125.813 1.937 18797 11953 1 19 . 1 1 136 136 ASP C C 136 175.130 175.130 175.163 -0.033 18797 11954 1 19 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.721 1.498 18797 11955 1 19 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.125 -1.375 18797 11956 1 19 . 1 1 136 136 ASP H H 136 8.010 8.010 8.439 -0.429 18797 11957 1 19 . 1 1 137 137 VAL N N 137 124.520 124.520 121.483 3.037 18797 11958 1 19 . 1 1 137 137 VAL C C 137 174.690 174.690 175.428 -0.738 18797 11959 1 19 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.294 0.156 18797 11960 1 19 . 1 1 137 137 VAL CB C 137 32.800 32.800 32.745 0.055 18797 11961 1 19 . 1 1 137 137 VAL H H 137 8.720 8.720 7.846 0.874 18797 11962 1 19 . 1 1 138 138 GLY N N 138 116.920 116.920 114.513 2.407 18797 11963 1 19 . 1 1 138 138 GLY C C 138 172.930 172.930 172.728 0.202 18797 11964 1 19 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.370 0.110 18797 11965 1 19 . 1 1 138 138 GLY H H 138 8.240 8.240 8.390 -0.150 18797 11966 1 19 . 1 1 139 139 THR N N 139 125.070 125.070 121.956 3.114 18797 11967 1 19 . 1 1 139 139 THR C C 139 171.920 171.920 172.842 -0.922 18797 11968 1 19 . 1 1 139 139 THR CA C 139 60.890 60.890 60.900 -0.010 18797 11969 1 19 . 1 1 139 139 THR CB C 139 70.290 70.290 71.478 -1.188 18797 11970 1 19 . 1 1 139 139 THR H H 139 8.710 8.710 7.477 1.233 18797 11971 1 19 . 1 1 140 140 TRP N N 140 125.840 125.840 126.751 -0.911 18797 11972 1 19 . 1 1 140 140 TRP C C 140 175.070 175.070 175.208 -0.138 18797 11973 1 19 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.806 -0.676 18797 11974 1 19 . 1 1 140 140 TRP CB C 140 32.100 32.100 31.718 0.382 18797 11975 1 19 . 1 1 140 140 TRP H H 140 8.330 8.330 8.315 0.015 18797 11976 1 19 . 1 1 141 141 ILE N N 141 123.240 123.240 121.981 1.259 18797 11977 1 19 . 1 1 141 141 ILE C C 141 174.870 174.870 174.352 0.518 18797 11978 1 19 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.650 0.740 18797 11979 1 19 . 1 1 141 141 ILE CB C 141 40.630 40.630 41.809 -1.179 18797 11980 1 19 . 1 1 141 141 ILE H H 141 8.980 8.980 8.506 0.474 18797 11981 1 19 . 1 1 142 142 ALA N N 142 127.680 127.680 128.103 -0.423 18797 11982 1 19 . 1 1 142 142 ALA C C 142 175.700 175.700 175.867 -0.167 18797 11983 1 19 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.488 0.042 18797 11984 1 19 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.661 -0.451 18797 11985 1 19 . 1 1 142 142 ALA H H 142 8.350 8.350 8.625 -0.275 18797 11986 1 19 . 1 1 143 143 GLY N N 143 109.030 109.030 110.161 -1.131 18797 11987 1 19 . 1 1 143 143 GLY C C 143 172.090 172.090 171.372 0.718 18797 11988 1 19 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.348 1.082 18797 11989 1 19 . 1 1 143 143 GLY H H 143 9.520 9.520 8.432 1.088 18797 11990 1 19 . 1 1 144 144 VAL N N 144 114.110 114.110 120.709 -6.599 18797 11991 1 19 . 1 1 144 144 VAL C C 144 174.010 174.010 174.240 -0.230 18797 11992 1 19 . 1 1 144 144 VAL CA C 144 58.270 58.270 59.111 -0.841 18797 11993 1 19 . 1 1 144 144 VAL CB C 144 35.490 35.490 35.969 -0.479 18797 11994 1 19 . 1 1 144 144 VAL H H 144 8.750 8.750 8.437 0.313 18797 11995 1 19 . 1 1 145 145 GLY N N 145 107.360 107.360 114.228 -6.868 18797 11996 1 19 . 1 1 145 145 GLY C C 145 171.210 171.210 171.719 -0.509 18797 11997 1 19 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.922 1.848 18797 11998 1 19 . 1 1 145 145 GLY H H 145 8.590 8.590 8.420 0.170 18797 11999 1 19 . 1 1 146 146 TYR N N 146 121.960 121.960 115.099 6.861 18797 12000 1 19 . 1 1 146 146 TYR C C 146 172.440 172.440 173.566 -1.126 18797 12001 1 19 . 1 1 146 146 TYR CA C 146 55.250 55.250 54.999 0.251 18797 12002 1 19 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.136 3.134 18797 12003 1 19 . 1 1 146 146 TYR H H 146 8.370 8.370 7.941 0.429 18797 12004 1 19 . 1 1 147 147 ARG N N 147 129.590 129.590 120.231 9.359 18797 12005 1 19 . 1 1 147 147 ARG C C 147 173.850 173.850 176.162 -2.312 18797 12006 1 19 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.711 -1.351 18797 12007 1 19 . 1 1 147 147 ARG CB C 147 32.420 32.420 32.756 -0.336 18797 12008 1 19 . 1 1 147 147 ARG H H 147 7.690 7.690 8.544 -0.854 18797 12009 1 20 . 1 1 2 2 THR N N 2 114.280 114.280 112.497 1.783 18797 12010 1 20 . 1 1 2 2 THR C C 2 173.570 173.570 173.800 -0.230 18797 12011 1 20 . 1 1 2 2 THR CA C 2 61.040 61.040 61.374 -0.334 18797 12012 1 20 . 1 1 2 2 THR CB C 2 71.930 71.930 70.616 1.314 18797 12013 1 20 . 1 1 2 2 THR H H 2 8.490 8.490 8.449 0.041 18797 12014 1 20 . 1 1 3 3 SER N N 3 122.430 122.430 116.515 5.915 18797 12015 1 20 . 1 1 3 3 SER C C 3 172.590 172.590 172.975 -0.385 18797 12016 1 20 . 1 1 3 3 SER CA C 3 56.760 56.760 57.556 -0.796 18797 12017 1 20 . 1 1 3 3 SER CB C 3 65.480 65.480 66.117 -0.637 18797 12018 1 20 . 1 1 3 3 SER H H 3 9.000 9.000 8.473 0.527 18797 12019 1 20 . 1 1 4 4 THR N N 4 117.240 117.240 114.636 2.604 18797 12020 1 20 . 1 1 4 4 THR C C 4 174.640 174.640 172.903 1.737 18797 12021 1 20 . 1 1 4 4 THR CA C 4 61.390 61.390 59.828 1.562 18797 12022 1 20 . 1 1 4 4 THR CB C 4 70.680 70.680 71.308 -0.628 18797 12023 1 20 . 1 1 4 4 THR H H 4 8.610 8.610 8.126 0.484 18797 12024 1 20 . 1 1 5 5 VAL N N 5 129.440 129.440 122.149 7.291 18797 12025 1 20 . 1 1 5 5 VAL C C 5 174.770 174.770 174.531 0.239 18797 12026 1 20 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.881 -1.121 18797 12027 1 20 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.808 -0.318 18797 12028 1 20 . 1 1 5 5 VAL H H 5 8.750 8.750 7.750 1.000 18797 12029 1 20 . 1 1 6 6 THR N N 6 116.430 116.430 122.520 -6.090 18797 12030 1 20 . 1 1 6 6 THR C C 6 172.930 172.930 173.170 -0.240 18797 12031 1 20 . 1 1 6 6 THR CA C 6 58.590 58.590 60.957 -2.367 18797 12032 1 20 . 1 1 6 6 THR CB C 6 70.930 70.930 71.713 -0.783 18797 12033 1 20 . 1 1 6 6 THR H H 6 8.890 8.890 8.240 0.650 18797 12034 1 20 . 1 1 7 7 GLY N N 7 105.590 105.590 111.010 -5.420 18797 12035 1 20 . 1 1 7 7 GLY C C 7 172.430 172.430 171.706 0.724 18797 12036 1 20 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.573 0.747 18797 12037 1 20 . 1 1 7 7 GLY H H 7 8.760 8.760 8.214 0.546 18797 12038 1 20 . 1 1 8 8 GLY N N 8 106.530 106.530 109.028 -2.498 18797 12039 1 20 . 1 1 8 8 GLY C C 8 173.030 173.030 171.534 1.496 18797 12040 1 20 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.262 1.668 18797 12041 1 20 . 1 1 8 8 GLY H H 8 9.100 9.100 7.506 1.594 18797 12042 1 20 . 1 1 9 9 TYR N N 9 121.730 121.730 118.408 3.322 18797 12043 1 20 . 1 1 9 9 TYR C C 9 172.390 172.390 174.279 -1.889 18797 12044 1 20 . 1 1 9 9 TYR CA C 9 56.840 56.840 56.232 0.608 18797 12045 1 20 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.405 -1.325 18797 12046 1 20 . 1 1 9 9 TYR H H 9 8.410 8.410 8.145 0.265 18797 12047 1 20 . 1 1 10 10 ALA N N 10 128.460 128.460 123.297 5.163 18797 12048 1 20 . 1 1 10 10 ALA C C 10 174.020 174.020 175.907 -1.887 18797 12049 1 20 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.643 -1.433 18797 12050 1 20 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.719 -0.499 18797 12051 1 20 . 1 1 10 10 ALA H H 10 6.910 6.910 9.074 -2.164 18797 12052 1 20 . 1 1 11 11 GLN N N 11 118.830 118.830 120.465 -1.635 18797 12053 1 20 . 1 1 11 11 GLN C C 11 175.650 175.650 175.384 0.266 18797 12054 1 20 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.593 0.237 18797 12055 1 20 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.632 -0.572 18797 12056 1 20 . 1 1 11 11 GLN H H 11 8.100 8.100 8.362 -0.262 18797 12057 1 20 . 1 1 12 12 SER N N 12 124.200 124.200 118.558 5.642 18797 12058 1 20 . 1 1 12 12 SER C C 12 172.710 172.710 173.936 -1.226 18797 12059 1 20 . 1 1 12 12 SER CA C 12 57.190 57.190 56.133 1.057 18797 12060 1 20 . 1 1 12 12 SER CB C 12 64.180 64.180 64.741 -0.561 18797 12061 1 20 . 1 1 12 12 SER H H 12 9.160 9.160 8.678 0.482 18797 12062 1 20 . 1 1 13 13 ASP N N 13 124.950 124.950 128.305 -3.355 18797 12063 1 20 . 1 1 13 13 ASP C C 13 174.860 174.860 174.921 -0.061 18797 12064 1 20 . 1 1 13 13 ASP CA C 13 52.960 52.960 54.629 -1.669 18797 12065 1 20 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.187 0.733 18797 12066 1 20 . 1 1 13 13 ASP H H 13 9.070 9.070 8.188 0.882 18797 12067 1 20 . 1 1 14 14 ALA N N 14 128.730 128.730 126.144 2.586 18797 12068 1 20 . 1 1 14 14 ALA C C 14 176.230 176.230 176.710 -0.480 18797 12069 1 20 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.439 -1.629 18797 12070 1 20 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.443 -0.943 18797 12071 1 20 . 1 1 14 14 ALA H H 14 8.560 8.560 8.121 0.439 18797 12072 1 20 . 1 1 15 15 GLN N N 15 122.750 122.750 122.205 0.545 18797 12073 1 20 . 1 1 15 15 GLN C C 15 176.660 176.660 176.391 0.269 18797 12074 1 20 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.612 2.508 18797 12075 1 20 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.641 -2.481 18797 12076 1 20 . 1 1 15 15 GLN H H 15 8.340 8.340 8.600 -0.260 18797 12077 1 20 . 1 1 16 16 GLY N N 16 112.800 112.800 109.483 3.317 18797 12078 1 20 . 1 1 16 16 GLY C C 16 174.400 174.400 173.982 0.418 18797 12079 1 20 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.799 -0.619 18797 12080 1 20 . 1 1 16 16 GLY H H 16 8.650 8.650 8.530 0.120 18797 12081 1 20 . 1 1 17 17 GLN N N 17 119.300 119.300 118.730 0.570 18797 12082 1 20 . 1 1 17 17 GLN C C 17 175.720 175.720 174.841 0.879 18797 12083 1 20 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.943 -2.343 18797 12084 1 20 . 1 1 17 17 GLN CB C 17 32.800 32.800 27.072 5.728 18797 12085 1 20 . 1 1 17 17 GLN H H 17 8.080 8.080 8.881 -0.801 18797 12086 1 20 . 1 1 18 18 MET N N 18 120.170 120.170 116.949 3.221 18797 12087 1 20 . 1 1 18 18 MET C C 18 175.400 175.400 174.424 0.976 18797 12088 1 20 . 1 1 18 18 MET CA C 18 55.980 55.980 54.238 1.742 18797 12089 1 20 . 1 1 18 18 MET CB C 18 35.590 35.590 36.002 -0.412 18797 12090 1 20 . 1 1 18 18 MET H H 18 8.370 8.370 7.766 0.604 18797 12091 1 20 . 1 1 19 19 ASN N N 19 117.900 117.900 119.077 -1.177 18797 12092 1 20 . 1 1 19 19 ASN C C 19 174.400 174.400 174.257 0.143 18797 12093 1 20 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.166 0.134 18797 12094 1 20 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.232 0.168 18797 12095 1 20 . 1 1 19 19 ASN H H 19 7.990 7.990 8.426 -0.436 18797 12096 1 20 . 1 1 20 20 LYS N N 20 120.800 120.800 119.528 1.272 18797 12097 1 20 . 1 1 20 20 LYS C C 20 176.410 176.410 175.897 0.513 18797 12098 1 20 . 1 1 20 20 LYS CA C 20 55.700 55.700 55.994 -0.294 18797 12099 1 20 . 1 1 20 20 LYS CB C 20 31.900 31.900 34.197 -2.297 18797 12100 1 20 . 1 1 20 20 LYS H H 20 8.340 8.340 8.273 0.067 18797 12101 1 20 . 1 1 21 21 MET N N 21 120.500 120.500 117.172 3.328 18797 12102 1 20 . 1 1 21 21 MET C C 21 175.270 175.270 174.775 0.495 18797 12103 1 20 . 1 1 21 21 MET CA C 21 54.800 54.800 54.657 0.143 18797 12104 1 20 . 1 1 21 21 MET CB C 21 34.730 34.730 37.810 -3.080 18797 12105 1 20 . 1 1 21 21 MET H H 21 8.580 8.580 8.160 0.420 18797 12106 1 20 . 1 1 22 22 GLY N N 22 111.280 111.280 107.504 3.776 18797 12107 1 20 . 1 1 22 22 GLY C C 22 174.030 174.030 172.392 1.638 18797 12108 1 20 . 1 1 22 22 GLY CA C 22 43.810 43.810 44.011 -0.201 18797 12109 1 20 . 1 1 22 22 GLY H H 22 8.430 8.430 8.423 0.007 18797 12110 1 20 . 1 1 23 23 GLY N N 23 120.170 120.170 109.352 10.818 18797 12111 1 20 . 1 1 23 23 GLY C C 23 171.850 171.850 171.732 0.118 18797 12112 1 20 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.995 2.155 18797 12113 1 20 . 1 1 23 23 GLY H H 23 8.180 8.180 8.427 -0.247 18797 12114 1 20 . 1 1 24 24 PHE N N 24 121.370 121.370 123.558 -2.188 18797 12115 1 20 . 1 1 24 24 PHE C C 24 171.570 171.570 173.433 -1.863 18797 12116 1 20 . 1 1 24 24 PHE CA C 24 54.730 54.730 55.783 -1.053 18797 12117 1 20 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.951 0.559 18797 12118 1 20 . 1 1 24 24 PHE H H 24 9.230 9.230 8.614 0.616 18797 12119 1 20 . 1 1 25 25 ASN N N 25 118.950 118.950 124.784 -5.834 18797 12120 1 20 . 1 1 25 25 ASN C C 25 172.080 172.080 173.016 -0.936 18797 12121 1 20 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.712 -0.842 18797 12122 1 20 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.174 4.276 18797 12123 1 20 . 1 1 25 25 ASN H H 25 8.520 8.520 7.678 0.842 18797 12124 1 20 . 1 1 26 26 LEU N N 26 126.150 126.150 124.111 2.039 18797 12125 1 20 . 1 1 26 26 LEU C C 26 175.620 175.620 174.154 1.466 18797 12126 1 20 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.402 0.088 18797 12127 1 20 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.827 0.803 18797 12128 1 20 . 1 1 26 26 LEU H H 26 9.340 9.340 8.346 0.994 18797 12129 1 20 . 1 1 27 27 LYS N N 27 117.980 117.980 122.662 -4.682 18797 12130 1 20 . 1 1 27 27 LYS C C 27 175.120 175.120 174.197 0.923 18797 12131 1 20 . 1 1 27 27 LYS CA C 27 55.190 55.190 53.958 1.232 18797 12132 1 20 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.208 0.362 18797 12133 1 20 . 1 1 27 27 LYS H H 27 8.850 8.850 8.294 0.556 18797 12134 1 20 . 1 1 28 28 TYR N N 28 120.820 120.820 118.689 2.131 18797 12135 1 20 . 1 1 28 28 TYR C C 28 172.480 172.480 174.708 -2.228 18797 12136 1 20 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.227 0.053 18797 12137 1 20 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.520 -0.620 18797 12138 1 20 . 1 1 28 28 TYR H H 28 8.430 8.430 8.400 0.030 18797 12139 1 20 . 1 1 29 29 ARG N N 29 129.660 129.660 120.341 9.319 18797 12140 1 20 . 1 1 29 29 ARG C C 29 172.780 172.780 175.021 -2.241 18797 12141 1 20 . 1 1 29 29 ARG CA C 29 53.000 53.000 53.763 -0.763 18797 12142 1 20 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.907 -0.897 18797 12143 1 20 . 1 1 29 29 ARG H H 29 8.670 8.670 8.250 0.420 18797 12144 1 20 . 1 1 30 30 TYR N N 30 127.210 127.210 123.675 3.535 18797 12145 1 20 . 1 1 30 30 TYR C C 30 175.000 175.000 174.461 0.539 18797 12146 1 20 . 1 1 30 30 TYR CA C 30 56.830 56.830 57.300 -0.470 18797 12147 1 20 . 1 1 30 30 TYR CB C 30 42.140 42.140 41.031 1.109 18797 12148 1 20 . 1 1 30 30 TYR H H 30 8.930 8.930 8.205 0.725 18797 12149 1 20 . 1 1 31 31 GLU N N 31 128.090 128.090 123.011 5.079 18797 12150 1 20 . 1 1 31 31 GLU C C 31 174.250 174.250 175.745 -1.495 18797 12151 1 20 . 1 1 31 31 GLU CA C 31 54.630 54.630 56.086 -1.456 18797 12152 1 20 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.648 1.842 18797 12153 1 20 . 1 1 31 31 GLU H H 31 8.170 8.170 8.236 -0.066 18797 12154 1 20 . 1 1 32 32 GLU N N 32 122.610 122.610 125.316 -2.706 18797 12155 1 20 . 1 1 32 32 GLU C C 32 176.920 176.920 175.834 1.086 18797 12156 1 20 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.889 -0.319 18797 12157 1 20 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.574 -1.804 18797 12158 1 20 . 1 1 32 32 GLU H H 32 9.120 9.120 8.548 0.572 18797 12159 1 20 . 1 1 33 33 ASP N N 33 121.920 121.920 121.376 0.544 18797 12160 1 20 . 1 1 33 33 ASP C C 33 176.990 176.990 176.387 0.603 18797 12161 1 20 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.920 1.950 18797 12162 1 20 . 1 1 33 33 ASP CB C 33 40.270 40.270 42.072 -1.802 18797 12163 1 20 . 1 1 33 33 ASP H H 33 8.600 8.600 8.418 0.182 18797 12164 1 20 . 1 1 34 34 ASN N N 34 115.300 115.300 117.125 -1.825 18797 12165 1 20 . 1 1 34 34 ASN C C 34 174.280 174.280 176.235 -1.955 18797 12166 1 20 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.238 -1.878 18797 12167 1 20 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.822 -0.872 18797 12168 1 20 . 1 1 34 34 ASN H H 34 8.420 8.420 8.533 -0.113 18797 12169 1 20 . 1 1 35 35 SER N N 35 112.970 112.970 112.617 0.353 18797 12170 1 20 . 1 1 35 35 SER CA C 35 54.260 54.260 58.071 -3.811 18797 12171 1 20 . 1 1 35 35 SER CB C 35 64.920 64.920 63.194 1.726 18797 12172 1 20 . 1 1 35 35 SER H H 35 7.270 7.270 8.055 -0.785 18797 12173 1 20 . 1 1 36 36 PRO CA C 36 63.360 63.360 61.970 1.390 18797 12174 1 20 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.473 -1.003 18797 12175 1 20 . 1 1 37 37 LEU N N 37 123.000 123.000 122.910 0.090 18797 12176 1 20 . 1 1 37 37 LEU C C 37 176.300 176.300 177.407 -1.107 18797 12177 1 20 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.489 -0.649 18797 12178 1 20 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.724 0.966 18797 12179 1 20 . 1 1 37 37 LEU H H 37 7.910 7.910 8.427 -0.517 18797 12180 1 20 . 1 1 38 38 GLY N N 38 117.320 117.320 109.524 7.796 18797 12181 1 20 . 1 1 38 38 GLY C C 38 172.340 172.340 173.077 -0.737 18797 12182 1 20 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.207 0.223 18797 12183 1 20 . 1 1 38 38 GLY H H 38 9.110 9.110 8.233 0.877 18797 12184 1 20 . 1 1 39 39 VAL N N 39 116.550 116.550 125.049 -8.499 18797 12185 1 20 . 1 1 39 39 VAL C C 39 171.720 171.720 175.340 -3.620 18797 12186 1 20 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.827 -2.827 18797 12187 1 20 . 1 1 39 39 VAL CB C 39 35.610 35.610 33.009 2.601 18797 12188 1 20 . 1 1 39 39 VAL H H 39 7.980 7.980 8.568 -0.588 18797 12189 1 20 . 1 1 40 40 ILE N N 40 125.640 125.640 127.229 -1.589 18797 12190 1 20 . 1 1 40 40 ILE C C 40 171.600 171.600 174.968 -3.368 18797 12191 1 20 . 1 1 40 40 ILE CA C 40 58.540 58.540 59.478 -0.938 18797 12192 1 20 . 1 1 40 40 ILE CB C 40 44.130 44.130 40.979 3.151 18797 12193 1 20 . 1 1 40 40 ILE H H 40 9.160 9.160 8.443 0.717 18797 12194 1 20 . 1 1 41 41 GLY N N 41 111.830 111.830 113.221 -1.391 18797 12195 1 20 . 1 1 41 41 GLY C C 41 172.000 172.000 171.628 0.372 18797 12196 1 20 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.021 -0.871 18797 12197 1 20 . 1 1 41 41 GLY H H 41 8.930 8.930 8.322 0.608 18797 12198 1 20 . 1 1 42 42 SER N N 42 116.940 116.940 117.910 -0.970 18797 12199 1 20 . 1 1 42 42 SER C C 42 172.100 172.100 172.520 -0.420 18797 12200 1 20 . 1 1 42 42 SER CA C 42 56.220 56.220 56.074 0.146 18797 12201 1 20 . 1 1 42 42 SER CB C 42 62.920 62.920 65.565 -2.645 18797 12202 1 20 . 1 1 42 42 SER H H 42 9.190 9.190 8.153 1.037 18797 12203 1 20 . 1 1 43 43 PHE N N 43 129.230 129.230 123.272 5.958 18797 12204 1 20 . 1 1 43 43 PHE C C 43 172.920 172.920 175.190 -2.270 18797 12205 1 20 . 1 1 43 43 PHE CA C 43 55.960 55.960 55.912 0.048 18797 12206 1 20 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.474 -0.044 18797 12207 1 20 . 1 1 43 43 PHE H H 43 9.300 9.300 8.641 0.659 18797 12208 1 20 . 1 1 44 44 THR N N 44 126.530 126.530 115.198 11.332 18797 12209 1 20 . 1 1 44 44 THR C C 44 171.340 171.340 173.238 -1.898 18797 12210 1 20 . 1 1 44 44 THR CA C 44 60.410 60.410 59.443 0.967 18797 12211 1 20 . 1 1 44 44 THR CB C 44 70.220 70.220 71.375 -1.155 18797 12212 1 20 . 1 1 44 44 THR H H 44 8.820 8.820 8.695 0.125 18797 12213 1 20 . 1 1 45 45 TYR N N 45 125.840 125.840 123.031 2.809 18797 12214 1 20 . 1 1 45 45 TYR C C 45 174.000 174.000 175.572 -1.572 18797 12215 1 20 . 1 1 45 45 TYR CA C 45 55.670 55.670 56.067 -0.397 18797 12216 1 20 . 1 1 45 45 TYR CB C 45 41.000 41.000 42.077 -1.077 18797 12217 1 20 . 1 1 45 45 TYR H H 45 8.210 8.210 8.610 -0.400 18797 12218 1 20 . 1 1 46 46 THR N N 46 117.670 117.670 119.894 -2.224 18797 12219 1 20 . 1 1 46 46 THR C C 46 171.910 171.910 174.196 -2.286 18797 12220 1 20 . 1 1 46 46 THR CA C 46 58.720 58.720 60.928 -2.208 18797 12221 1 20 . 1 1 46 46 THR CB C 46 71.710 71.710 70.772 0.938 18797 12222 1 20 . 1 1 46 46 THR H H 46 8.550 8.550 8.379 0.171 18797 12223 1 20 . 1 1 47 47 GLU N N 47 112.160 112.160 123.526 -11.366 18797 12224 1 20 . 1 1 47 47 GLU CA C 47 54.580 54.580 55.079 -0.499 18797 12225 1 20 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.452 -1.782 18797 12226 1 20 . 1 1 47 47 GLU H H 47 8.170 8.170 8.952 -0.782 18797 12227 1 20 . 1 1 49 49 SER CA C 49 58.210 58.210 57.461 0.749 18797 12228 1 20 . 1 1 49 49 SER CB C 49 64.070 64.070 65.114 -1.044 18797 12229 1 20 . 1 1 49 49 SER H H 49 174.130 174.130 8.089 166.041 18797 12230 1 20 . 1 1 50 50 ARG N N 50 124.000 124.000 120.914 3.086 18797 12231 1 20 . 1 1 50 50 ARG C C 50 176.270 176.270 176.308 -0.038 18797 12232 1 20 . 1 1 50 50 ARG CA C 50 55.960 55.960 55.951 0.009 18797 12233 1 20 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.830 0.150 18797 12234 1 20 . 1 1 50 50 ARG H H 50 8.600 8.600 8.312 0.288 18797 12235 1 20 . 1 1 51 51 THR N N 51 115.720 115.720 117.085 -1.365 18797 12236 1 20 . 1 1 51 51 THR C C 51 174.400 174.400 174.421 -0.021 18797 12237 1 20 . 1 1 51 51 THR CA C 51 61.820 61.820 63.506 -1.686 18797 12238 1 20 . 1 1 51 51 THR H H 51 8.240 8.240 8.318 -0.078 18797 12239 1 20 . 1 1 52 52 ALA CA C 52 52.000 52.000 50.677 1.323 18797 12240 1 20 . 1 1 52 52 ALA CB C 52 18.800 18.800 21.764 -2.963 18797 12241 1 20 . 1 1 52 52 ALA H H 52 175.230 175.230 7.793 167.437 18797 12242 1 20 . 1 1 53 53 SER N N 53 113.990 113.990 116.817 -2.827 18797 12243 1 20 . 1 1 53 53 SER C C 53 175.360 175.360 175.163 0.197 18797 12244 1 20 . 1 1 53 53 SER CA C 53 58.350 58.350 58.182 0.168 18797 12245 1 20 . 1 1 53 53 SER CB C 53 62.930 62.930 64.158 -1.228 18797 12246 1 20 . 1 1 53 53 SER H H 53 8.000 8.000 8.526 -0.526 18797 12247 1 20 . 1 1 54 54 SER N N 54 113.510 113.510 115.939 -2.429 18797 12248 1 20 . 1 1 54 54 SER C C 54 173.880 173.880 175.441 -1.561 18797 12249 1 20 . 1 1 54 54 SER CA C 54 58.500 58.500 60.509 -2.009 18797 12250 1 20 . 1 1 54 54 SER CB C 54 62.960 62.960 63.186 -0.226 18797 12251 1 20 . 1 1 54 54 SER H H 54 8.050 8.050 8.543 -0.493 18797 12252 1 20 . 1 1 55 55 GLY N N 55 112.640 112.640 107.145 5.495 18797 12253 1 20 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.513 -0.313 18797 12254 1 20 . 1 1 55 55 GLY H H 55 8.140 8.140 7.797 0.343 18797 12255 1 20 . 1 1 56 56 ASP CA C 56 54.100 54.100 54.356 -0.256 18797 12256 1 20 . 1 1 56 56 ASP CB C 56 41.000 41.000 41.390 -0.390 18797 12257 1 20 . 1 1 56 56 ASP H H 56 175.600 175.600 7.668 167.932 18797 12258 1 20 . 1 1 57 57 TYR N N 57 121.140 121.140 122.177 -1.037 18797 12259 1 20 . 1 1 57 57 TYR CA C 57 57.280 57.280 60.934 -3.655 18797 12260 1 20 . 1 1 57 57 TYR CB C 57 38.400 38.400 37.145 1.255 18797 12261 1 20 . 1 1 57 57 TYR H H 57 8.150 8.150 8.231 -0.081 18797 12262 1 20 . 1 1 59 59 LYS CA C 59 55.410 55.410 57.071 -1.661 18797 12263 1 20 . 1 1 59 59 LYS CB C 59 34.220 34.220 33.289 0.931 18797 12264 1 20 . 1 1 60 60 ASN N N 60 122.740 122.740 118.252 4.488 18797 12265 1 20 . 1 1 60 60 ASN C C 60 175.260 175.260 173.411 1.849 18797 12266 1 20 . 1 1 60 60 ASN CA C 60 52.200 52.200 53.856 -1.656 18797 12267 1 20 . 1 1 60 60 ASN CB C 60 40.230 40.230 37.916 2.314 18797 12268 1 20 . 1 1 60 60 ASN H H 60 8.360 8.360 8.753 -0.393 18797 12269 1 20 . 1 1 61 61 GLN N N 61 120.450 120.450 121.355 -0.905 18797 12270 1 20 . 1 1 61 61 GLN C C 61 172.500 172.500 173.812 -1.312 18797 12271 1 20 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.050 0.690 18797 12272 1 20 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.016 1.824 18797 12273 1 20 . 1 1 61 61 GLN H H 61 8.530 8.530 7.454 1.076 18797 12274 1 20 . 1 1 62 62 TYR N N 62 123.620 123.620 123.381 0.239 18797 12275 1 20 . 1 1 62 62 TYR C C 62 171.430 171.430 175.319 -3.889 18797 12276 1 20 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.712 1.128 18797 12277 1 20 . 1 1 62 62 TYR CB C 62 39.930 39.930 42.154 -2.224 18797 12278 1 20 . 1 1 62 62 TYR H H 62 8.610 8.610 7.988 0.622 18797 12279 1 20 . 1 1 63 63 TYR N N 63 123.920 123.920 120.451 3.469 18797 12280 1 20 . 1 1 63 63 TYR C C 63 174.280 174.280 175.356 -1.076 18797 12281 1 20 . 1 1 63 63 TYR CA C 63 54.580 54.580 56.208 -1.627 18797 12282 1 20 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.008 -0.688 18797 12283 1 20 . 1 1 63 63 TYR H H 63 8.400 8.400 8.945 -0.545 18797 12284 1 20 . 1 1 64 64 GLY N N 64 107.510 107.510 109.888 -2.378 18797 12285 1 20 . 1 1 64 64 GLY C C 64 174.090 174.090 172.107 1.983 18797 12286 1 20 . 1 1 64 64 GLY CA C 64 44.570 44.570 44.068 0.502 18797 12287 1 20 . 1 1 64 64 GLY H H 64 8.760 8.760 8.689 0.071 18797 12288 1 20 . 1 1 65 65 ILE N N 65 128.470 128.470 125.222 3.248 18797 12289 1 20 . 1 1 65 65 ILE C C 65 174.350 174.350 175.004 -0.654 18797 12290 1 20 . 1 1 65 65 ILE CA C 65 59.960 59.960 60.008 -0.048 18797 12291 1 20 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.618 -0.878 18797 12292 1 20 . 1 1 65 65 ILE H H 65 8.900 8.900 8.201 0.699 18797 12293 1 20 . 1 1 66 66 THR N N 66 115.890 115.890 117.321 -1.431 18797 12294 1 20 . 1 1 66 66 THR C C 66 172.600 172.600 173.178 -0.578 18797 12295 1 20 . 1 1 66 66 THR CA C 66 58.670 58.670 59.453 -0.783 18797 12296 1 20 . 1 1 66 66 THR CB C 66 73.100 73.100 71.559 1.541 18797 12297 1 20 . 1 1 66 66 THR H H 66 8.900 8.900 8.379 0.521 18797 12298 1 20 . 1 1 67 67 ALA N N 67 119.730 119.730 123.953 -4.223 18797 12299 1 20 . 1 1 67 67 ALA C C 67 176.670 176.670 175.465 1.205 18797 12300 1 20 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.652 0.848 18797 12301 1 20 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.728 -0.668 18797 12302 1 20 . 1 1 67 67 ALA H H 67 9.370 9.370 8.489 0.881 18797 12303 1 20 . 1 1 68 68 GLY N N 68 104.240 104.240 106.800 -2.560 18797 12304 1 20 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.578 1.342 18797 12305 1 20 . 1 1 68 68 GLY H H 68 8.900 8.900 8.110 0.790 18797 12306 1 20 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.197 -0.157 18797 12307 1 20 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.991 -0.301 18797 12308 1 20 . 1 1 70 70 ALA N N 70 120.220 120.220 127.207 -6.987 18797 12309 1 20 . 1 1 70 70 ALA C C 70 175.590 175.590 175.886 -0.296 18797 12310 1 20 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.364 -1.874 18797 12311 1 20 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.792 0.188 18797 12312 1 20 . 1 1 70 70 ALA H H 70 7.870 7.870 8.685 -0.815 18797 12313 1 20 . 1 1 71 71 TYR N N 71 126.080 126.080 125.076 1.004 18797 12314 1 20 . 1 1 71 71 TYR C C 71 174.090 174.090 173.845 0.245 18797 12315 1 20 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.584 -1.464 18797 12316 1 20 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.884 -0.964 18797 12317 1 20 . 1 1 71 71 TYR H H 71 9.780 9.780 9.069 0.711 18797 12318 1 20 . 1 1 72 72 ARG N N 72 131.410 131.410 123.121 8.289 18797 12319 1 20 . 1 1 72 72 ARG C C 72 174.160 174.160 174.680 -0.520 18797 12320 1 20 . 1 1 72 72 ARG CA C 72 56.020 56.020 54.500 1.520 18797 12321 1 20 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.195 -0.575 18797 12322 1 20 . 1 1 72 72 ARG H H 72 8.770 8.770 7.701 1.069 18797 12323 1 20 . 1 1 73 73 ILE N N 73 129.550 129.550 124.873 4.677 18797 12324 1 20 . 1 1 73 73 ILE C C 73 175.730 175.730 176.783 -1.053 18797 12325 1 20 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.724 2.226 18797 12326 1 20 . 1 1 73 73 ILE CB C 73 38.510 38.510 39.707 -1.197 18797 12327 1 20 . 1 1 73 73 ILE H H 73 8.400 8.400 8.550 -0.150 18797 12328 1 20 . 1 1 74 74 ASN N N 74 114.870 114.870 125.979 -11.109 18797 12329 1 20 . 1 1 74 74 ASN C C 74 174.860 174.860 175.892 -1.032 18797 12330 1 20 . 1 1 74 74 ASN CA C 74 51.830 51.830 55.510 -3.680 18797 12331 1 20 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.044 -1.204 18797 12332 1 20 . 1 1 74 74 ASN H H 74 7.920 7.920 8.885 -0.965 18797 12333 1 20 . 1 1 75 75 ASP N N 75 113.980 113.980 118.246 -4.266 18797 12334 1 20 . 1 1 75 75 ASP C C 75 175.820 175.820 175.183 0.637 18797 12335 1 20 . 1 1 75 75 ASP CA C 75 56.920 56.920 55.591 1.329 18797 12336 1 20 . 1 1 75 75 ASP CB C 75 40.230 40.230 40.887 -0.657 18797 12337 1 20 . 1 1 75 75 ASP H H 75 8.320 8.320 8.262 0.058 18797 12338 1 20 . 1 1 76 76 TRP N N 76 113.600 113.600 118.204 -4.604 18797 12339 1 20 . 1 1 76 76 TRP C C 76 176.310 176.310 176.406 -0.096 18797 12340 1 20 . 1 1 76 76 TRP CA C 76 55.410 55.410 55.621 -0.211 18797 12341 1 20 . 1 1 76 76 TRP CB C 76 31.160 31.160 31.071 0.089 18797 12342 1 20 . 1 1 76 76 TRP H H 76 7.970 7.970 7.651 0.319 18797 12343 1 20 . 1 1 77 77 ALA N N 77 125.520 125.520 123.280 2.240 18797 12344 1 20 . 1 1 77 77 ALA C C 77 175.620 175.620 177.002 -1.382 18797 12345 1 20 . 1 1 77 77 ALA CA C 77 52.070 52.070 53.137 -1.067 18797 12346 1 20 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.186 1.954 18797 12347 1 20 . 1 1 77 77 ALA H H 77 7.740 7.740 8.363 -0.623 18797 12348 1 20 . 1 1 78 78 SER N N 78 114.140 114.140 111.319 2.821 18797 12349 1 20 . 1 1 78 78 SER C C 78 170.060 170.060 172.509 -2.449 18797 12350 1 20 . 1 1 78 78 SER CA C 78 57.250 57.250 57.905 -0.655 18797 12351 1 20 . 1 1 78 78 SER CB C 78 65.320 65.320 65.428 -0.108 18797 12352 1 20 . 1 1 78 78 SER H H 78 8.100 8.100 7.346 0.754 18797 12353 1 20 . 1 1 79 79 ILE N N 79 120.650 120.650 126.951 -6.301 18797 12354 1 20 . 1 1 79 79 ILE C C 79 172.470 172.470 173.118 -0.648 18797 12355 1 20 . 1 1 79 79 ILE CA C 79 58.450 58.450 59.905 -1.455 18797 12356 1 20 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.694 0.406 18797 12357 1 20 . 1 1 79 79 ILE H H 79 8.960 8.960 8.417 0.543 18797 12358 1 20 . 1 1 80 80 TYR N N 80 120.580 120.580 125.915 -5.335 18797 12359 1 20 . 1 1 80 80 TYR C C 80 173.000 173.000 173.328 -0.328 18797 12360 1 20 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.396 0.584 18797 12361 1 20 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.496 -0.466 18797 12362 1 20 . 1 1 80 80 TYR H H 80 8.360 8.360 8.270 0.090 18797 12363 1 20 . 1 1 81 81 GLY N N 81 106.140 106.140 107.819 -1.679 18797 12364 1 20 . 1 1 81 81 GLY C C 81 170.920 170.920 172.243 -1.323 18797 12365 1 20 . 1 1 81 81 GLY CA C 81 44.000 44.000 44.086 -0.086 18797 12366 1 20 . 1 1 81 81 GLY H H 81 8.050 8.050 8.160 -0.110 18797 12367 1 20 . 1 1 82 82 VAL N N 82 111.380 111.380 118.985 -7.605 18797 12368 1 20 . 1 1 82 82 VAL C C 82 174.370 174.370 174.046 0.324 18797 12369 1 20 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.459 -1.279 18797 12370 1 20 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.633 -0.194 18797 12371 1 20 . 1 1 82 82 VAL H H 82 8.490 8.490 8.338 0.152 18797 12372 1 20 . 1 1 83 83 VAL N N 83 113.660 113.660 115.330 -1.670 18797 12373 1 20 . 1 1 83 83 VAL C C 83 174.680 174.680 174.964 -0.284 18797 12374 1 20 . 1 1 83 83 VAL CA C 83 59.090 59.090 58.845 0.245 18797 12375 1 20 . 1 1 83 83 VAL CB C 83 36.020 36.020 34.843 1.177 18797 12376 1 20 . 1 1 83 83 VAL H H 83 8.970 8.970 8.402 0.568 18797 12377 1 20 . 1 1 84 84 GLY N N 84 108.310 108.310 111.171 -2.861 18797 12378 1 20 . 1 1 84 84 GLY C C 84 171.440 171.440 171.528 -0.088 18797 12379 1 20 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.311 2.459 18797 12380 1 20 . 1 1 84 84 GLY H H 84 8.480 8.480 8.617 -0.137 18797 12381 1 20 . 1 1 85 85 VAL N N 85 122.520 122.520 120.273 2.247 18797 12382 1 20 . 1 1 85 85 VAL C C 85 172.560 172.560 173.965 -1.405 18797 12383 1 20 . 1 1 85 85 VAL CA C 85 59.170 59.170 58.531 0.639 18797 12384 1 20 . 1 1 85 85 VAL CB C 85 35.810 35.810 35.184 0.626 18797 12385 1 20 . 1 1 85 85 VAL H H 85 8.920 8.920 8.028 0.892 18797 12386 1 20 . 1 1 86 86 GLY N N 86 113.360 113.360 115.750 -2.390 18797 12387 1 20 . 1 1 86 86 GLY C C 86 172.210 172.210 171.989 0.221 18797 12388 1 20 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.785 -0.506 18797 12389 1 20 . 1 1 86 86 GLY H H 86 8.880 8.880 8.383 0.497 18797 12390 1 20 . 1 1 87 87 TYR N N 87 123.830 123.830 122.625 1.205 18797 12391 1 20 . 1 1 87 87 TYR C C 87 174.030 174.030 175.480 -1.450 18797 12392 1 20 . 1 1 87 87 TYR CA C 87 55.930 55.930 56.134 -0.204 18797 12393 1 20 . 1 1 87 87 TYR CB C 87 42.030 42.030 42.218 -0.188 18797 12394 1 20 . 1 1 87 87 TYR H H 87 9.310 9.310 8.827 0.483 18797 12395 1 20 . 1 1 88 88 GLY N N 88 112.300 112.300 109.517 2.783 18797 12396 1 20 . 1 1 88 88 GLY C C 88 170.620 170.620 171.906 -1.286 18797 12397 1 20 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.446 0.954 18797 12398 1 20 . 1 1 88 88 GLY H H 88 8.000 8.000 8.958 -0.958 18797 12399 1 20 . 1 1 89 89 LYS N N 89 122.410 122.410 123.920 -1.510 18797 12400 1 20 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.457 0.023 18797 12401 1 20 . 1 1 89 89 LYS H H 89 8.230 8.230 8.305 -0.075 18797 12402 1 20 . 1 1 90 90 PHE C C 90 175.190 175.190 173.471 1.719 18797 12403 1 20 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.269 -2.239 18797 12404 1 20 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.878 -1.368 18797 12405 1 20 . 1 1 91 91 GLN N N 91 122.380 122.380 125.678 -3.298 18797 12406 1 20 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.478 0.852 18797 12407 1 20 . 1 1 91 91 GLN CB C 91 29.700 29.700 32.423 -2.723 18797 12408 1 20 . 1 1 91 91 GLN H H 91 8.370 8.370 7.950 0.420 18797 12409 1 20 . 1 1 94 94 GLU N N 94 175.780 175.780 121.778 54.002 18797 12410 1 20 . 1 1 94 94 GLU CA C 94 57.030 57.030 58.403 -1.373 18797 12411 1 20 . 1 1 94 94 GLU CB C 94 29.460 29.460 30.320 -0.860 18797 12412 1 20 . 1 1 95 95 TYR N N 95 120.240 120.240 115.116 5.124 18797 12413 1 20 . 1 1 95 95 TYR CA C 95 55.290 55.290 59.108 -3.818 18797 12414 1 20 . 1 1 95 95 TYR CB C 95 37.730 37.730 38.930 -1.200 18797 12415 1 20 . 1 1 95 95 TYR H H 95 7.830 7.830 7.820 0.010 18797 12416 1 20 . 1 1 97 97 THR CA C 97 62.210 62.210 61.550 0.660 18797 12417 1 20 . 1 1 97 97 THR H H 97 174.320 174.320 8.295 166.025 18797 12418 1 20 . 1 1 98 98 TYR N N 98 122.540 122.540 123.599 -1.059 18797 12419 1 20 . 1 1 98 98 TYR C C 98 175.000 175.000 175.375 -0.375 18797 12420 1 20 . 1 1 98 98 TYR CA C 98 57.530 57.530 59.111 -1.581 18797 12421 1 20 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.806 -0.456 18797 12422 1 20 . 1 1 98 98 TYR H H 98 8.040 8.040 8.302 -0.262 18797 12423 1 20 . 1 1 101 101 ASP CA C 101 54.020 54.020 53.544 0.476 18797 12424 1 20 . 1 1 101 101 ASP CB C 101 39.700 39.700 43.450 -3.750 18797 12425 1 20 . 1 1 101 101 ASP H H 101 176.040 176.040 8.032 168.008 18797 12426 1 20 . 1 1 102 102 THR N N 102 117.650 117.650 120.512 -2.862 18797 12427 1 20 . 1 1 102 102 THR C C 102 173.840 173.840 173.462 0.378 18797 12428 1 20 . 1 1 102 102 THR CA C 102 61.590 61.590 62.179 -0.589 18797 12429 1 20 . 1 1 102 102 THR CB C 102 69.970 69.970 71.695 -1.725 18797 12430 1 20 . 1 1 102 102 THR H H 102 8.520 8.520 8.456 0.064 18797 12431 1 20 . 1 1 103 103 SER N N 103 119.470 119.470 120.579 -1.109 18797 12432 1 20 . 1 1 103 103 SER C C 103 173.580 173.580 173.413 0.167 18797 12433 1 20 . 1 1 103 103 SER CA C 103 57.310 57.310 57.402 -0.092 18797 12434 1 20 . 1 1 103 103 SER H H 103 8.240 8.240 8.607 -0.367 18797 12435 1 20 . 1 1 104 104 ASP N N 104 122.250 122.250 123.693 -1.443 18797 12436 1 20 . 1 1 104 104 ASP C C 104 173.100 173.100 174.310 -1.210 18797 12437 1 20 . 1 1 104 104 ASP CA C 104 53.600 53.600 54.402 -0.802 18797 12438 1 20 . 1 1 104 104 ASP CB C 104 44.060 44.060 43.763 0.297 18797 12439 1 20 . 1 1 104 104 ASP H H 104 8.270 8.270 8.497 -0.227 18797 12440 1 20 . 1 1 105 105 TYR N N 105 116.040 116.040 121.149 -5.109 18797 12441 1 20 . 1 1 105 105 TYR C C 105 175.860 175.860 174.476 1.384 18797 12442 1 20 . 1 1 105 105 TYR CA C 105 55.550 55.550 55.597 -0.047 18797 12443 1 20 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.520 0.110 18797 12444 1 20 . 1 1 105 105 TYR H H 105 8.560 8.560 8.165 0.395 18797 12445 1 20 . 1 1 106 106 GLY N N 106 108.500 108.500 108.819 -0.319 18797 12446 1 20 . 1 1 106 106 GLY C C 106 172.030 172.030 171.711 0.319 18797 12447 1 20 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.115 0.375 18797 12448 1 20 . 1 1 106 106 GLY H H 106 9.190 9.190 8.349 0.841 18797 12449 1 20 . 1 1 107 107 PHE N N 107 121.420 121.420 118.979 2.441 18797 12450 1 20 . 1 1 107 107 PHE C C 107 175.430 175.430 175.411 0.019 18797 12451 1 20 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.814 0.726 18797 12452 1 20 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.657 -1.457 18797 12453 1 20 . 1 1 107 107 PHE H H 107 8.860 8.860 8.587 0.273 18797 12454 1 20 . 1 1 108 108 SER N N 108 123.250 123.250 118.783 4.467 18797 12455 1 20 . 1 1 108 108 SER C C 108 171.430 171.430 173.097 -1.667 18797 12456 1 20 . 1 1 108 108 SER CA C 108 56.100 56.100 56.428 -0.328 18797 12457 1 20 . 1 1 108 108 SER CB C 108 65.720 65.720 66.074 -0.354 18797 12458 1 20 . 1 1 108 108 SER H H 108 8.110 8.110 8.918 -0.808 18797 12459 1 20 . 1 1 109 109 TYR N N 109 117.840 117.840 124.111 -6.271 18797 12460 1 20 . 1 1 109 109 TYR C C 109 173.560 173.560 173.971 -0.411 18797 12461 1 20 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.531 -1.211 18797 12462 1 20 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.799 -3.239 18797 12463 1 20 . 1 1 109 109 TYR H H 109 8.480 8.480 8.460 0.020 18797 12464 1 20 . 1 1 110 110 GLY N N 110 106.400 106.400 110.987 -4.587 18797 12465 1 20 . 1 1 110 110 GLY C C 110 171.350 171.350 171.210 0.140 18797 12466 1 20 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.024 2.136 18797 12467 1 20 . 1 1 110 110 GLY H H 110 8.980 8.980 8.013 0.967 18797 12468 1 20 . 1 1 111 111 ALA N N 111 119.140 119.140 121.180 -2.040 18797 12469 1 20 . 1 1 111 111 ALA C C 111 174.640 174.640 174.818 -0.178 18797 12470 1 20 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.101 0.869 18797 12471 1 20 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.777 -0.627 18797 12472 1 20 . 1 1 111 111 ALA H H 111 8.390 8.390 8.091 0.299 18797 12473 1 20 . 1 1 112 112 GLY N N 112 106.070 106.070 106.375 -0.305 18797 12474 1 20 . 1 1 112 112 GLY C C 112 169.770 169.770 171.339 -1.569 18797 12475 1 20 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.296 0.974 18797 12476 1 20 . 1 1 112 112 GLY H H 112 7.820 7.820 7.409 0.411 18797 12477 1 20 . 1 1 113 113 LEU N N 113 116.370 116.370 120.313 -3.943 18797 12478 1 20 . 1 1 113 113 LEU C C 113 175.090 175.090 174.969 0.121 18797 12479 1 20 . 1 1 113 113 LEU CA C 113 52.690 52.690 52.387 0.303 18797 12480 1 20 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.414 1.146 18797 12481 1 20 . 1 1 113 113 LEU H H 113 8.930 8.930 8.202 0.728 18797 12482 1 20 . 1 1 114 114 GLN N N 114 115.860 115.860 119.926 -4.066 18797 12483 1 20 . 1 1 114 114 GLN C C 114 176.910 176.910 174.578 2.332 18797 12484 1 20 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.390 -0.660 18797 12485 1 20 . 1 1 114 114 GLN CB C 114 33.290 33.290 33.046 0.244 18797 12486 1 20 . 1 1 114 114 GLN H H 114 7.860 7.860 7.874 -0.014 18797 12487 1 20 . 1 1 115 115 PHE N N 115 126.580 126.580 125.004 1.576 18797 12488 1 20 . 1 1 115 115 PHE C C 115 175.740 175.740 174.514 1.226 18797 12489 1 20 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.833 -1.633 18797 12490 1 20 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.046 2.324 18797 12491 1 20 . 1 1 115 115 PHE H H 115 9.750 9.750 8.864 0.886 18797 12492 1 20 . 1 1 116 116 ASN N N 116 119.920 119.920 123.409 -3.489 18797 12493 1 20 . 1 1 116 116 ASN CA C 116 51.200 51.200 51.401 -0.201 18797 12494 1 20 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.141 0.510 18797 12495 1 20 . 1 1 116 116 ASN H H 116 9.450 9.450 8.936 0.514 18797 12496 1 20 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.752 1.948 18797 12497 1 20 . 1 1 118 118 MET N N 118 110.530 110.530 118.737 -8.207 18797 12498 1 20 . 1 1 118 118 MET C C 118 176.130 176.130 176.769 -0.639 18797 12499 1 20 . 1 1 118 118 MET CA C 118 53.980 53.980 56.701 -2.721 18797 12500 1 20 . 1 1 118 118 MET CB C 118 36.310 36.310 32.797 3.513 18797 12501 1 20 . 1 1 118 118 MET H H 118 7.310 7.310 8.376 -1.066 18797 12502 1 20 . 1 1 119 119 GLU N N 119 120.320 120.320 117.629 2.691 18797 12503 1 20 . 1 1 119 119 GLU C C 119 176.810 176.810 177.116 -0.306 18797 12504 1 20 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.312 2.288 18797 12505 1 20 . 1 1 119 119 GLU CB C 119 29.150 29.150 28.852 0.298 18797 12506 1 20 . 1 1 119 119 GLU H H 119 9.120 9.120 8.847 0.273 18797 12507 1 20 . 1 1 120 120 ASN N N 120 112.490 112.490 117.780 -5.290 18797 12508 1 20 . 1 1 120 120 ASN C C 120 174.080 174.080 176.103 -2.023 18797 12509 1 20 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.520 -2.120 18797 12510 1 20 . 1 1 120 120 ASN CB C 120 38.830 38.830 37.681 1.149 18797 12511 1 20 . 1 1 120 120 ASN H H 120 8.430 8.430 8.663 -0.233 18797 12512 1 20 . 1 1 121 121 VAL N N 121 117.760 117.760 119.249 -1.489 18797 12513 1 20 . 1 1 121 121 VAL C C 121 174.750 174.750 175.443 -0.693 18797 12514 1 20 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.834 -2.144 18797 12515 1 20 . 1 1 121 121 VAL CB C 121 34.900 34.900 29.739 5.161 18797 12516 1 20 . 1 1 121 121 VAL H H 121 7.500 7.500 7.297 0.203 18797 12517 1 20 . 1 1 122 122 ALA N N 122 127.190 127.190 123.683 3.507 18797 12518 1 20 . 1 1 122 122 ALA C C 122 175.140 175.140 175.342 -0.202 18797 12519 1 20 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.856 -1.466 18797 12520 1 20 . 1 1 122 122 ALA CB C 122 22.820 22.820 22.161 0.659 18797 12521 1 20 . 1 1 122 122 ALA H H 122 8.230 8.230 7.365 0.865 18797 12522 1 20 . 1 1 123 123 LEU N N 123 120.270 120.270 122.818 -2.548 18797 12523 1 20 . 1 1 123 123 LEU C C 123 174.310 174.310 175.278 -0.968 18797 12524 1 20 . 1 1 123 123 LEU CA C 123 53.660 53.660 54.348 -0.688 18797 12525 1 20 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.058 -1.548 18797 12526 1 20 . 1 1 123 123 LEU H H 123 8.910 8.910 8.187 0.723 18797 12527 1 20 . 1 1 124 124 ASP N N 124 127.350 127.350 120.222 7.128 18797 12528 1 20 . 1 1 124 124 ASP C C 124 171.830 171.830 174.295 -2.465 18797 12529 1 20 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.628 1.192 18797 12530 1 20 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.949 2.541 18797 12531 1 20 . 1 1 124 124 ASP H H 124 8.580 8.580 8.190 0.390 18797 12532 1 20 . 1 1 125 125 PHE N N 125 123.390 123.390 122.027 1.363 18797 12533 1 20 . 1 1 125 125 PHE C C 125 174.130 174.130 174.600 -0.470 18797 12534 1 20 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.212 -0.552 18797 12535 1 20 . 1 1 125 125 PHE CB C 125 42.700 42.700 43.077 -0.377 18797 12536 1 20 . 1 1 125 125 PHE H H 125 8.670 8.670 8.484 0.186 18797 12537 1 20 . 1 1 126 126 SER N N 126 118.680 118.680 115.794 2.886 18797 12538 1 20 . 1 1 126 126 SER C C 126 169.980 169.980 172.252 -2.272 18797 12539 1 20 . 1 1 126 126 SER CA C 126 58.120 58.120 56.797 1.323 18797 12540 1 20 . 1 1 126 126 SER CB C 126 66.950 66.950 66.383 0.567 18797 12541 1 20 . 1 1 126 126 SER H H 126 9.390 9.390 8.363 1.027 18797 12542 1 20 . 1 1 127 127 TYR N N 127 119.080 119.080 124.955 -5.875 18797 12543 1 20 . 1 1 127 127 TYR C C 127 174.390 174.390 173.383 1.007 18797 12544 1 20 . 1 1 127 127 TYR CA C 127 55.440 55.440 56.130 -0.691 18797 12545 1 20 . 1 1 127 127 TYR CB C 127 43.100 43.100 43.025 0.075 18797 12546 1 20 . 1 1 127 127 TYR H H 127 8.610 8.610 8.665 -0.055 18797 12547 1 20 . 1 1 128 128 GLU N N 128 130.070 130.070 125.702 4.368 18797 12548 1 20 . 1 1 128 128 GLU C C 128 172.590 172.590 174.395 -1.805 18797 12549 1 20 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.005 0.125 18797 12550 1 20 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.793 -0.293 18797 12551 1 20 . 1 1 128 128 GLU H H 128 8.510 8.510 8.154 0.356 18797 12552 1 20 . 1 1 129 129 GLN N N 129 128.670 128.670 123.847 4.823 18797 12553 1 20 . 1 1 129 129 GLN C C 129 173.690 173.690 175.092 -1.402 18797 12554 1 20 . 1 1 129 129 GLN CA C 129 53.210 53.210 53.737 -0.527 18797 12555 1 20 . 1 1 129 129 GLN CB C 129 31.050 31.050 33.336 -2.286 18797 12556 1 20 . 1 1 129 129 GLN H H 129 9.330 9.330 8.717 0.613 18797 12557 1 20 . 1 1 130 130 SER N N 130 118.630 118.630 118.218 0.412 18797 12558 1 20 . 1 1 130 130 SER C C 130 174.210 174.210 174.189 0.021 18797 12559 1 20 . 1 1 130 130 SER CA C 130 56.450 56.450 57.260 -0.810 18797 12560 1 20 . 1 1 130 130 SER CB C 130 66.260 66.260 65.230 1.030 18797 12561 1 20 . 1 1 130 130 SER H H 130 8.580 8.580 8.193 0.387 18797 12562 1 20 . 1 1 131 131 ARG N N 131 126.850 126.850 122.956 3.894 18797 12563 1 20 . 1 1 131 131 ARG C C 131 174.740 174.740 176.492 -1.752 18797 12564 1 20 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.691 -0.351 18797 12565 1 20 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.588 -0.678 18797 12566 1 20 . 1 1 131 131 ARG H H 131 7.690 7.690 8.795 -1.105 18797 12567 1 20 . 1 1 132 132 ILE N N 132 129.470 129.470 120.163 9.307 18797 12568 1 20 . 1 1 132 132 ILE C C 132 175.500 175.500 176.088 -0.588 18797 12569 1 20 . 1 1 132 132 ILE CA C 132 58.890 58.890 60.876 -1.986 18797 12570 1 20 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.018 1.302 18797 12571 1 20 . 1 1 132 132 ILE H H 132 8.730 8.730 8.526 0.204 18797 12572 1 20 . 1 1 133 133 ARG N N 133 127.220 127.220 127.171 0.049 18797 12573 1 20 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.227 2.883 18797 12574 1 20 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.756 -3.436 18797 12575 1 20 . 1 1 133 133 ARG H H 133 9.400 9.400 8.304 1.096 18797 12576 1 20 . 1 1 134 134 SER C C 134 173.290 173.290 173.330 -0.040 18797 12577 1 20 . 1 1 134 134 SER CA C 134 58.490 58.490 60.227 -1.737 18797 12578 1 20 . 1 1 134 134 SER CB C 134 62.860 62.860 63.060 -0.200 18797 12579 1 20 . 1 1 135 135 VAL N N 135 124.810 124.810 114.726 10.084 18797 12580 1 20 . 1 1 135 135 VAL C C 135 174.650 174.650 174.138 0.512 18797 12581 1 20 . 1 1 135 135 VAL CA C 135 61.870 61.870 60.835 1.035 18797 12582 1 20 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.654 -2.595 18797 12583 1 20 . 1 1 135 135 VAL H H 135 8.270 8.270 7.268 1.002 18797 12584 1 20 . 1 1 136 136 ASP N N 136 127.750 127.750 124.276 3.474 18797 12585 1 20 . 1 1 136 136 ASP C C 136 175.130 175.130 175.668 -0.538 18797 12586 1 20 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.755 1.465 18797 12587 1 20 . 1 1 136 136 ASP CB C 136 41.750 41.750 42.917 -1.167 18797 12588 1 20 . 1 1 136 136 ASP H H 136 8.010 8.010 8.335 -0.325 18797 12589 1 20 . 1 1 137 137 VAL N N 137 124.520 124.520 124.680 -0.160 18797 12590 1 20 . 1 1 137 137 VAL C C 137 174.690 174.690 175.000 -0.310 18797 12591 1 20 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.852 -0.402 18797 12592 1 20 . 1 1 137 137 VAL CB C 137 32.800 32.800 32.773 0.027 18797 12593 1 20 . 1 1 137 137 VAL H H 137 8.720 8.720 7.774 0.946 18797 12594 1 20 . 1 1 138 138 GLY N N 138 116.920 116.920 114.616 2.304 18797 12595 1 20 . 1 1 138 138 GLY C C 138 172.930 172.930 172.983 -0.053 18797 12596 1 20 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.358 0.122 18797 12597 1 20 . 1 1 138 138 GLY H H 138 8.240 8.240 8.591 -0.351 18797 12598 1 20 . 1 1 139 139 THR N N 139 125.070 125.070 122.088 2.982 18797 12599 1 20 . 1 1 139 139 THR C C 139 171.920 171.920 172.638 -0.718 18797 12600 1 20 . 1 1 139 139 THR CA C 139 60.890 60.890 61.395 -0.505 18797 12601 1 20 . 1 1 139 139 THR CB C 139 70.290 70.290 71.873 -1.583 18797 12602 1 20 . 1 1 139 139 THR H H 139 8.710 8.710 7.939 0.771 18797 12603 1 20 . 1 1 140 140 TRP N N 140 125.840 125.840 130.512 -4.672 18797 12604 1 20 . 1 1 140 140 TRP C C 140 175.070 175.070 173.825 1.245 18797 12605 1 20 . 1 1 140 140 TRP CA C 140 55.130 55.130 56.136 -1.006 18797 12606 1 20 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.578 -0.478 18797 12607 1 20 . 1 1 140 140 TRP H H 140 8.330 8.330 8.577 -0.247 18797 12608 1 20 . 1 1 141 141 ILE N N 141 123.240 123.240 127.227 -3.987 18797 12609 1 20 . 1 1 141 141 ILE C C 141 174.870 174.870 172.583 2.287 18797 12610 1 20 . 1 1 141 141 ILE CA C 141 60.390 60.390 58.438 1.952 18797 12611 1 20 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.317 -1.687 18797 12612 1 20 . 1 1 141 141 ILE H H 141 8.980 8.980 8.102 0.878 18797 12613 1 20 . 1 1 142 142 ALA N N 142 127.680 127.680 128.422 -0.742 18797 12614 1 20 . 1 1 142 142 ALA C C 142 175.700 175.700 175.412 0.288 18797 12615 1 20 . 1 1 142 142 ALA CA C 142 50.530 50.530 49.667 0.863 18797 12616 1 20 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.344 -0.134 18797 12617 1 20 . 1 1 142 142 ALA H H 142 8.350 8.350 8.179 0.171 18797 12618 1 20 . 1 1 143 143 GLY N N 143 109.030 109.030 109.013 0.017 18797 12619 1 20 . 1 1 143 143 GLY C C 143 172.090 172.090 171.719 0.371 18797 12620 1 20 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.125 1.305 18797 12621 1 20 . 1 1 143 143 GLY H H 143 9.520 9.520 8.181 1.339 18797 12622 1 20 . 1 1 144 144 VAL N N 144 114.110 114.110 120.147 -6.037 18797 12623 1 20 . 1 1 144 144 VAL C C 144 174.010 174.010 175.135 -1.125 18797 12624 1 20 . 1 1 144 144 VAL CA C 144 58.270 58.270 59.498 -1.228 18797 12625 1 20 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.773 0.718 18797 12626 1 20 . 1 1 144 144 VAL H H 144 8.750 8.750 8.437 0.313 18797 12627 1 20 . 1 1 145 145 GLY N N 145 107.360 107.360 112.744 -5.384 18797 12628 1 20 . 1 1 145 145 GLY C C 145 171.210 171.210 171.574 -0.364 18797 12629 1 20 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.909 1.861 18797 12630 1 20 . 1 1 145 145 GLY H H 145 8.590 8.590 8.618 -0.028 18797 12631 1 20 . 1 1 146 146 TYR N N 146 121.960 121.960 115.300 6.660 18797 12632 1 20 . 1 1 146 146 TYR C C 146 172.440 172.440 173.671 -1.231 18797 12633 1 20 . 1 1 146 146 TYR CA C 146 55.250 55.250 54.983 0.268 18797 12634 1 20 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.269 3.001 18797 12635 1 20 . 1 1 146 146 TYR H H 146 8.370 8.370 7.719 0.651 18797 12636 1 20 . 1 1 147 147 ARG N N 147 129.590 129.590 120.388 9.202 18797 12637 1 20 . 1 1 147 147 ARG C C 147 173.850 173.850 175.993 -2.143 18797 12638 1 20 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.690 -1.330 18797 12639 1 20 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.262 -0.842 18797 12640 1 20 . 1 1 147 147 ARG H H 147 7.690 7.690 8.339 -0.649 18797 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 128 6.938 -0.265 6.960 18797 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18797 3 1 1 "Average Difference" C 119 1.282 0.381 1.229 18797 4 1 1 "Average Difference" CA 139 1.406 0.166 1.401 18797 5 1 1 "Average Difference" CB 114 1.715 0.017 1.722 18797 6 1 1 "Average Difference" HN 132 32.494 -6.547 31.949 18797 7 1 2 "Average Difference" N 128 6.552 -0.319 6.570 18797 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18797 9 1 2 "Average Difference" C 119 1.305 0.441 1.233 18797 10 1 2 "Average Difference" CA 139 1.413 0.228 1.399 18797 11 1 2 "Average Difference" CB 114 1.650 0.002 1.657 18797 12 1 2 "Average Difference" HN 132 32.460 -6.561 31.912 18797 13 1 3 "Average Difference" N 128 6.651 -0.657 6.645 18797 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18797 15 1 3 "Average Difference" C 119 1.428 0.599 1.301 18797 16 1 3 "Average Difference" CA 139 1.434 0.266 1.414 18797 17 1 3 "Average Difference" CB 114 1.579 0.010 1.586 18797 18 1 3 "Average Difference" HN 132 32.526 -6.534 31.984 18797 19 1 4 "Average Difference" N 128 6.570 -0.366 6.586 18797 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18797 21 1 4 "Average Difference" C 119 1.361 0.491 1.274 18797 22 1 4 "Average Difference" CA 139 1.514 0.261 1.497 18797 23 1 4 "Average Difference" CB 114 1.722 0.077 1.727 18797 24 1 4 "Average Difference" HN 132 32.504 -6.557 31.957 18797 25 1 5 "Average Difference" N 128 6.300 -0.332 6.316 18797 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18797 27 1 5 "Average Difference" C 119 1.314 0.416 1.251 18797 28 1 5 "Average Difference" CA 139 1.451 0.212 1.441 18797 29 1 5 "Average Difference" CB 114 1.617 0.069 1.623 18797 30 1 5 "Average Difference" HN 132 32.550 -6.558 32.004 18797 31 1 6 "Average Difference" N 128 6.531 -0.304 6.550 18797 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18797 33 1 6 "Average Difference" C 119 1.324 0.399 1.268 18797 34 1 6 "Average Difference" CA 139 1.310 0.126 1.309 18797 35 1 6 "Average Difference" CB 114 1.646 0.082 1.651 18797 36 1 6 "Average Difference" HN 132 32.483 -6.533 31.941 18797 37 1 7 "Average Difference" N 128 6.728 -0.824 6.703 18797 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18797 39 1 7 "Average Difference" C 119 1.328 0.479 1.244 18797 40 1 7 "Average Difference" CA 139 1.466 0.277 1.444 18797 41 1 7 "Average Difference" CB 114 1.637 0.101 1.641 18797 42 1 7 "Average Difference" HN 132 32.475 -6.524 31.934 18797 43 1 8 "Average Difference" N 128 6.723 -0.878 6.692 18797 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18797 45 1 8 "Average Difference" C 119 1.316 0.394 1.261 18797 46 1 8 "Average Difference" CA 139 1.403 0.139 1.401 18797 47 1 8 "Average Difference" CB 114 1.618 0.012 1.625 18797 48 1 8 "Average Difference" HN 132 32.521 -6.585 31.969 18797 49 1 9 "Average Difference" N 128 6.619 -0.300 6.638 18797 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18797 51 1 9 "Average Difference" C 119 1.332 0.408 1.273 18797 52 1 9 "Average Difference" CA 139 1.418 0.226 1.405 18797 53 1 9 "Average Difference" CB 114 1.542 0.106 1.545 18797 54 1 9 "Average Difference" HN 132 32.471 -6.550 31.924 18797 55 1 10 "Average Difference" N 128 6.402 -0.282 6.421 18797 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18797 57 1 10 "Average Difference" C 119 1.323 0.423 1.259 18797 58 1 10 "Average Difference" CA 139 1.471 0.295 1.447 18797 59 1 10 "Average Difference" CB 114 1.614 0.080 1.619 18797 60 1 10 "Average Difference" HN 132 32.437 -6.547 31.890 18797 61 1 11 "Average Difference" N 128 6.345 -0.463 6.353 18797 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 18797 63 1 11 "Average Difference" C 119 1.288 0.411 1.226 18797 64 1 11 "Average Difference" CA 139 1.304 0.186 1.295 18797 65 1 11 "Average Difference" CB 114 1.639 0.095 1.643 18797 66 1 11 "Average Difference" HN 132 32.485 -6.568 31.935 18797 67 1 12 "Average Difference" N 128 6.549 -0.748 6.531 18797 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 18797 69 1 12 "Average Difference" C 119 1.355 0.447 1.285 18797 70 1 12 "Average Difference" CA 139 1.411 0.197 1.403 18797 71 1 12 "Average Difference" CB 114 1.637 0.073 1.643 18797 72 1 12 "Average Difference" HN 132 32.517 -6.542 31.973 18797 73 1 13 "Average Difference" N 128 6.799 -0.722 6.788 18797 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 18797 75 1 13 "Average Difference" C 119 1.384 0.383 1.336 18797 76 1 13 "Average Difference" CA 139 1.377 0.155 1.373 18797 77 1 13 "Average Difference" CB 114 1.681 0.143 1.683 18797 78 1 13 "Average Difference" HN 132 32.486 -6.556 31.939 18797 79 1 14 "Average Difference" N 128 6.664 -0.430 6.676 18797 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 18797 81 1 14 "Average Difference" C 119 1.337 0.483 1.252 18797 82 1 14 "Average Difference" CA 139 1.448 0.284 1.424 18797 83 1 14 "Average Difference" CB 114 1.593 0.067 1.599 18797 84 1 14 "Average Difference" HN 132 32.468 -6.518 31.928 18797 85 1 15 "Average Difference" N 128 6.583 -0.719 6.570 18797 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 18797 87 1 15 "Average Difference" C 119 1.263 0.425 1.195 18797 88 1 15 "Average Difference" CA 139 1.411 0.129 1.411 18797 89 1 15 "Average Difference" CB 114 1.699 0.017 1.707 18797 90 1 15 "Average Difference" HN 132 32.491 -6.563 31.943 18797 91 1 16 "Average Difference" N 128 6.655 -0.613 6.652 18797 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 18797 93 1 16 "Average Difference" C 119 1.296 0.422 1.230 18797 94 1 16 "Average Difference" CA 139 1.389 0.117 1.389 18797 95 1 16 "Average Difference" CB 114 1.676 0.065 1.682 18797 96 1 16 "Average Difference" HN 132 32.465 -6.548 31.919 18797 97 1 17 "Average Difference" N 128 6.736 -0.556 6.739 18797 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 18797 99 1 17 "Average Difference" C 119 1.361 0.435 1.295 18797 100 1 17 "Average Difference" CA 139 1.349 0.170 1.343 18797 101 1 17 "Average Difference" CB 114 1.636 -0.019 1.643 18797 102 1 17 "Average Difference" HN 132 32.459 -6.542 31.914 18797 103 1 18 "Average Difference" N 128 7.064 -0.754 7.051 18797 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 18797 105 1 18 "Average Difference" C 119 1.218 0.375 1.164 18797 106 1 18 "Average Difference" CA 139 1.407 0.176 1.401 18797 107 1 18 "Average Difference" CB 114 1.648 0.068 1.654 18797 108 1 18 "Average Difference" HN 132 32.527 -6.565 31.979 18797 109 1 19 "Average Difference" N 128 6.632 -0.340 6.649 18797 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 18797 111 1 19 "Average Difference" C 119 1.370 0.548 1.262 18797 112 1 19 "Average Difference" CA 139 1.415 0.281 1.392 18797 113 1 19 "Average Difference" CB 114 1.646 0.020 1.653 18797 114 1 19 "Average Difference" HN 132 32.444 -6.530 31.901 18797 115 1 20 "Average Difference" N 128 6.580 -0.601 6.578 18797 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 18797 117 1 20 "Average Difference" C 119 1.295 0.417 1.232 18797 118 1 20 "Average Difference" CA 139 1.396 0.227 1.383 18797 119 1 20 "Average Difference" CB 114 1.662 0.141 1.663 18797 120 1 20 "Average Difference" HN 132 32.526 -6.540 31.983 18797 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 18797 _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 2 114.280 114.280 113.824 0.456 18797 2 1 . 1 1 2 2 THR C C 2 173.570 173.570 173.507 0.063 18797 3 1 . 1 1 2 2 THR CA C 2 61.040 61.040 61.990 -0.950 18797 4 1 . 1 1 2 2 THR CB C 2 71.930 71.930 70.160 1.769 18797 5 1 . 1 1 2 2 THR H H 2 8.490 8.490 8.219 0.271 18797 6 1 . 1 1 3 3 SER N N 3 122.430 122.430 116.399 6.031 18797 7 1 . 1 1 3 3 SER C C 3 172.590 172.590 172.776 -0.186 18797 8 1 . 1 1 3 3 SER CA C 3 56.760 56.760 57.278 -0.518 18797 9 1 . 1 1 3 3 SER CB C 3 65.480 65.480 65.874 -0.394 18797 10 1 . 1 1 3 3 SER H H 3 9.000 9.000 8.197 0.803 18797 11 1 . 1 1 4 4 THR N N 4 117.240 117.240 116.895 0.345 18797 12 1 . 1 1 4 4 THR C C 4 174.640 174.640 172.999 1.641 18797 13 1 . 1 1 4 4 THR CA C 4 61.390 61.390 60.800 0.590 18797 14 1 . 1 1 4 4 THR CB C 4 70.680 70.680 71.597 -0.917 18797 15 1 . 1 1 4 4 THR H H 4 8.610 8.610 8.110 0.500 18797 16 1 . 1 1 5 5 VAL N N 5 129.440 129.440 124.225 5.215 18797 17 1 . 1 1 5 5 VAL C C 5 174.770 174.770 174.549 0.221 18797 18 1 . 1 1 5 5 VAL CA C 5 59.760 59.760 60.297 -0.537 18797 19 1 . 1 1 5 5 VAL CB C 5 33.490 33.490 33.936 -0.447 18797 20 1 . 1 1 5 5 VAL H H 5 8.750 8.750 7.936 0.814 18797 21 1 . 1 1 6 6 THR N N 6 116.430 116.430 122.342 -5.912 18797 22 1 . 1 1 6 6 THR C C 6 172.930 172.930 173.252 -0.322 18797 23 1 . 1 1 6 6 THR CA C 6 58.590 58.590 60.743 -2.153 18797 24 1 . 1 1 6 6 THR CB C 6 70.930 70.930 71.810 -0.880 18797 25 1 . 1 1 6 6 THR H H 6 8.890 8.890 8.096 0.794 18797 26 1 . 1 1 7 7 GLY N N 7 105.590 105.590 110.688 -5.098 18797 27 1 . 1 1 7 7 GLY C C 7 172.430 172.430 172.025 0.405 18797 28 1 . 1 1 7 7 GLY CA C 7 44.320 44.320 43.696 0.624 18797 29 1 . 1 1 7 7 GLY H H 7 8.760 8.760 8.377 0.383 18797 30 1 . 1 1 8 8 GLY N N 8 106.530 106.530 109.544 -3.014 18797 31 1 . 1 1 8 8 GLY C C 8 173.030 173.030 171.693 1.337 18797 32 1 . 1 1 8 8 GLY CA C 8 45.930 45.930 44.717 1.213 18797 33 1 . 1 1 8 8 GLY H H 8 9.100 9.100 7.894 1.206 18797 34 1 . 1 1 9 9 TYR N N 9 121.730 121.730 118.832 2.898 18797 35 1 . 1 1 9 9 TYR C C 9 172.390 172.390 173.716 -1.326 18797 36 1 . 1 1 9 9 TYR CA C 9 56.840 56.840 55.910 0.930 18797 37 1 . 1 1 9 9 TYR CB C 9 41.080 41.080 42.199 -1.119 18797 38 1 . 1 1 9 9 TYR H H 9 8.410 8.410 8.161 0.249 18797 39 1 . 1 1 10 10 ALA N N 10 128.460 128.460 124.324 4.136 18797 40 1 . 1 1 10 10 ALA C C 10 174.020 174.020 175.471 -1.451 18797 41 1 . 1 1 10 10 ALA CA C 10 48.210 48.210 49.596 -1.387 18797 42 1 . 1 1 10 10 ALA CB C 10 22.220 22.220 22.512 -0.292 18797 43 1 . 1 1 10 10 ALA H H 10 6.910 6.910 8.740 -1.830 18797 44 1 . 1 1 11 11 GLN N N 11 118.830 118.830 121.703 -2.873 18797 45 1 . 1 1 11 11 GLN C C 11 175.650 175.650 175.026 0.624 18797 46 1 . 1 1 11 11 GLN CA C 11 53.830 53.830 53.812 0.018 18797 47 1 . 1 1 11 11 GLN CB C 11 32.060 32.060 32.706 -0.646 18797 48 1 . 1 1 11 11 GLN H H 11 8.100 8.100 8.284 -0.184 18797 49 1 . 1 1 12 12 SER N N 12 124.200 124.200 119.545 4.655 18797 50 1 . 1 1 12 12 SER C C 12 172.710 172.710 173.737 -1.027 18797 51 1 . 1 1 12 12 SER CA C 12 57.190 57.190 56.291 0.899 18797 52 1 . 1 1 12 12 SER CB C 12 64.180 64.180 65.432 -1.252 18797 53 1 . 1 1 12 12 SER H H 12 9.160 9.160 8.536 0.624 18797 54 1 . 1 1 13 13 ASP N N 13 124.950 124.950 126.188 -1.238 18797 55 1 . 1 1 13 13 ASP C C 13 174.860 174.860 175.054 -0.194 18797 56 1 . 1 1 13 13 ASP CA C 13 52.960 52.960 53.969 -1.009 18797 57 1 . 1 1 13 13 ASP CB C 13 42.920 42.920 42.412 0.508 18797 58 1 . 1 1 13 13 ASP H H 13 9.070 9.070 8.150 0.920 18797 59 1 . 1 1 14 14 ALA N N 14 128.730 128.730 127.049 1.681 18797 60 1 . 1 1 14 14 ALA C C 14 176.230 176.230 176.915 -0.685 18797 61 1 . 1 1 14 14 ALA CA C 14 49.810 49.810 51.529 -1.719 18797 62 1 . 1 1 14 14 ALA CB C 14 19.500 19.500 20.534 -1.034 18797 63 1 . 1 1 14 14 ALA H H 14 8.560 8.560 8.211 0.349 18797 64 1 . 1 1 15 15 GLN N N 15 122.750 122.750 122.225 0.525 18797 65 1 . 1 1 15 15 GLN C C 15 176.660 176.660 176.463 0.197 18797 66 1 . 1 1 15 15 GLN CA C 15 57.120 57.120 54.688 2.432 18797 67 1 . 1 1 15 15 GLN CB C 15 28.160 28.160 30.392 -2.232 18797 68 1 . 1 1 15 15 GLN H H 15 8.340 8.340 8.568 -0.228 18797 69 1 . 1 1 16 16 GLY N N 16 112.800 112.800 109.287 3.513 18797 70 1 . 1 1 16 16 GLY C C 16 174.400 174.400 174.056 0.344 18797 71 1 . 1 1 16 16 GLY CA C 16 45.180 45.180 45.707 -0.527 18797 72 1 . 1 1 16 16 GLY H H 16 8.650 8.650 8.526 0.124 18797 73 1 . 1 1 17 17 GLN N N 17 119.300 119.300 119.453 -0.153 18797 74 1 . 1 1 17 17 GLN C C 17 175.720 175.720 174.889 0.831 18797 75 1 . 1 1 17 17 GLN CA C 17 54.600 54.600 56.761 -2.161 18797 76 1 . 1 1 17 17 GLN CB C 17 32.800 32.800 28.048 4.752 18797 77 1 . 1 1 17 17 GLN H H 17 8.080 8.080 8.663 -0.583 18797 78 1 . 1 1 18 18 MET N N 18 120.170 120.170 116.866 3.304 18797 79 1 . 1 1 18 18 MET C C 18 175.400 175.400 174.428 0.972 18797 80 1 . 1 1 18 18 MET CA C 18 55.980 55.980 54.446 1.534 18797 81 1 . 1 1 18 18 MET CB C 18 35.590 35.590 35.745 -0.155 18797 82 1 . 1 1 18 18 MET H H 18 8.370 8.370 7.692 0.678 18797 83 1 . 1 1 19 19 ASN N N 19 117.900 117.900 119.291 -1.391 18797 84 1 . 1 1 19 19 ASN C C 19 174.400 174.400 174.724 -0.324 18797 85 1 . 1 1 19 19 ASN CA C 19 52.300 52.300 52.281 0.019 18797 86 1 . 1 1 19 19 ASN CB C 19 39.400 39.400 39.683 -0.283 18797 87 1 . 1 1 19 19 ASN H H 19 7.990 7.990 8.468 -0.478 18797 88 1 . 1 1 20 20 LYS N N 20 120.800 120.800 120.257 0.543 18797 89 1 . 1 1 20 20 LYS C C 20 176.410 176.410 175.990 0.420 18797 90 1 . 1 1 20 20 LYS CA C 20 55.700 55.700 56.833 -1.133 18797 91 1 . 1 1 20 20 LYS CB C 20 31.900 31.900 33.435 -1.535 18797 92 1 . 1 1 20 20 LYS H H 20 8.340 8.340 8.430 -0.090 18797 93 1 . 1 1 21 21 MET N N 21 120.500 120.500 117.750 2.750 18797 94 1 . 1 1 21 21 MET C C 21 175.270 175.270 175.223 0.047 18797 95 1 . 1 1 21 21 MET CA C 21 54.800 54.800 54.509 0.291 18797 96 1 . 1 1 21 21 MET CB C 21 34.730 34.730 37.274 -2.544 18797 97 1 . 1 1 21 21 MET H H 21 8.580 8.580 7.857 0.723 18797 98 1 . 1 1 22 22 GLY N N 22 111.280 111.280 107.943 3.337 18797 99 1 . 1 1 22 22 GLY C C 22 174.030 174.030 172.267 1.763 18797 100 1 . 1 1 22 22 GLY CA C 22 43.810 43.810 43.886 -0.076 18797 101 1 . 1 1 22 22 GLY H H 22 8.430 8.430 8.319 0.111 18797 102 1 . 1 1 23 23 GLY N N 23 120.170 120.170 109.250 10.920 18797 103 1 . 1 1 23 23 GLY C C 23 171.850 171.850 171.802 0.048 18797 104 1 . 1 1 23 23 GLY CA C 23 46.150 46.150 43.902 2.248 18797 105 1 . 1 1 23 23 GLY H H 23 8.180 8.180 8.053 0.127 18797 106 1 . 1 1 24 24 PHE N N 24 121.370 121.370 121.596 -0.226 18797 107 1 . 1 1 24 24 PHE C C 24 171.570 171.570 174.100 -2.530 18797 108 1 . 1 1 24 24 PHE CA C 24 54.730 54.730 56.179 -1.450 18797 109 1 . 1 1 24 24 PHE CB C 24 43.510 43.510 42.464 1.046 18797 110 1 . 1 1 24 24 PHE H H 24 9.230 9.230 8.466 0.764 18797 111 1 . 1 1 25 25 ASN N N 25 118.950 118.950 121.941 -2.991 18797 112 1 . 1 1 25 25 ASN C C 25 172.080 172.080 173.494 -1.414 18797 113 1 . 1 1 25 25 ASN CA C 25 50.870 50.870 51.894 -1.024 18797 114 1 . 1 1 25 25 ASN CB C 25 46.450 46.450 42.006 4.444 18797 115 1 . 1 1 25 25 ASN H H 25 8.520 8.520 8.218 0.302 18797 116 1 . 1 1 26 26 LEU N N 26 126.150 126.150 123.776 2.374 18797 117 1 . 1 1 26 26 LEU C C 26 175.620 175.620 175.125 0.495 18797 118 1 . 1 1 26 26 LEU CA C 26 53.490 53.490 53.579 -0.089 18797 119 1 . 1 1 26 26 LEU CB C 26 46.630 46.630 45.554 1.076 18797 120 1 . 1 1 26 26 LEU H H 26 9.340 9.340 8.265 1.075 18797 121 1 . 1 1 27 27 LYS N N 27 117.980 117.980 122.081 -4.101 18797 122 1 . 1 1 27 27 LYS C C 27 175.120 175.120 175.043 0.077 18797 123 1 . 1 1 27 27 LYS CA C 27 55.190 55.190 54.255 0.935 18797 124 1 . 1 1 27 27 LYS CB C 27 36.570 36.570 36.331 0.239 18797 125 1 . 1 1 27 27 LYS H H 27 8.850 8.850 8.287 0.563 18797 126 1 . 1 1 28 28 TYR N N 28 120.820 120.820 121.032 -0.212 18797 127 1 . 1 1 28 28 TYR C C 28 172.480 172.480 174.405 -1.925 18797 128 1 . 1 1 28 28 TYR CA C 28 56.280 56.280 56.125 0.155 18797 129 1 . 1 1 28 28 TYR CB C 28 41.900 41.900 42.192 -0.292 18797 130 1 . 1 1 28 28 TYR H H 28 8.430 8.430 8.564 -0.134 18797 131 1 . 1 1 29 29 ARG N N 29 129.660 129.660 121.535 8.125 18797 132 1 . 1 1 29 29 ARG C C 29 172.780 172.780 174.303 -1.524 18797 133 1 . 1 1 29 29 ARG CA C 29 53.000 53.000 54.014 -1.014 18797 134 1 . 1 1 29 29 ARG CB C 29 34.010 34.010 34.931 -0.921 18797 135 1 . 1 1 29 29 ARG H H 29 8.670 8.670 8.152 0.518 18797 136 1 . 1 1 30 30 TYR N N 30 127.210 127.210 122.816 4.394 18797 137 1 . 1 1 30 30 TYR C C 30 175.000 175.000 175.070 -0.070 18797 138 1 . 1 1 30 30 TYR CA C 30 56.830 56.830 56.847 -0.017 18797 139 1 . 1 1 30 30 TYR CB C 30 42.140 42.140 41.090 1.049 18797 140 1 . 1 1 30 30 TYR H H 30 8.930 8.930 8.244 0.686 18797 141 1 . 1 1 31 31 GLU N N 31 128.090 128.090 123.725 4.365 18797 142 1 . 1 1 31 31 GLU C C 31 174.250 174.250 175.927 -1.677 18797 143 1 . 1 1 31 31 GLU CA C 31 54.630 54.630 55.801 -1.171 18797 144 1 . 1 1 31 31 GLU CB C 31 32.490 32.490 30.613 1.877 18797 145 1 . 1 1 31 31 GLU H H 31 8.170 8.170 8.244 -0.074 18797 146 1 . 1 1 32 32 GLU N N 32 122.610 122.610 124.391 -1.781 18797 147 1 . 1 1 32 32 GLU C C 32 176.920 176.920 175.437 1.483 18797 148 1 . 1 1 32 32 GLU CA C 32 54.570 54.570 54.981 -0.411 18797 149 1 . 1 1 32 32 GLU CB C 32 30.770 30.770 32.755 -1.985 18797 150 1 . 1 1 32 32 GLU H H 32 9.120 9.120 8.530 0.590 18797 151 1 . 1 1 33 33 ASP N N 33 121.920 121.920 121.193 0.727 18797 152 1 . 1 1 33 33 ASP C C 33 176.990 176.990 176.505 0.485 18797 153 1 . 1 1 33 33 ASP CA C 33 55.870 55.870 53.795 2.075 18797 154 1 . 1 1 33 33 ASP CB C 33 40.270 40.270 41.775 -1.505 18797 155 1 . 1 1 33 33 ASP H H 33 8.600 8.600 8.439 0.161 18797 156 1 . 1 1 34 34 ASN N N 34 115.300 115.300 117.131 -1.831 18797 157 1 . 1 1 34 34 ASN C C 34 174.280 174.280 176.248 -1.968 18797 158 1 . 1 1 34 34 ASN CA C 34 53.360 53.360 55.385 -2.025 18797 159 1 . 1 1 34 34 ASN CB C 34 37.950 37.950 38.616 -0.666 18797 160 1 . 1 1 34 34 ASN H H 34 8.420 8.420 8.568 -0.148 18797 161 1 . 1 1 35 35 SER N N 35 112.970 112.970 113.779 -0.809 18797 162 1 . 1 1 35 35 SER CA C 35 54.260 54.260 58.581 -4.321 18797 163 1 . 1 1 35 35 SER CB C 35 64.920 64.920 63.176 1.744 18797 164 1 . 1 1 35 35 SER H H 35 7.270 7.270 8.106 -0.836 18797 165 1 . 1 1 36 36 PRO CA C 36 63.360 63.360 62.136 1.224 18797 166 1 . 1 1 36 36 PRO CB C 36 31.470 31.470 32.712 -1.242 18797 167 1 . 1 1 37 37 LEU N N 37 123.000 123.000 122.381 0.619 18797 168 1 . 1 1 37 37 LEU C C 37 176.300 176.300 177.458 -1.158 18797 169 1 . 1 1 37 37 LEU CA C 37 53.840 53.840 54.410 -0.570 18797 170 1 . 1 1 37 37 LEU CB C 37 43.690 43.690 42.764 0.926 18797 171 1 . 1 1 37 37 LEU H H 37 7.910 7.910 8.353 -0.443 18797 172 1 . 1 1 38 38 GLY N N 38 117.320 117.320 108.668 8.652 18797 173 1 . 1 1 38 38 GLY C C 38 172.340 172.340 173.177 -0.837 18797 174 1 . 1 1 38 38 GLY CA C 38 44.430 44.430 44.222 0.208 18797 175 1 . 1 1 38 38 GLY H H 38 9.110 9.110 8.085 1.025 18797 176 1 . 1 1 39 39 VAL N N 39 116.550 116.550 125.201 -8.651 18797 177 1 . 1 1 39 39 VAL C C 39 171.720 171.720 175.247 -3.527 18797 178 1 . 1 1 39 39 VAL CA C 39 59.000 59.000 61.679 -2.679 18797 179 1 . 1 1 39 39 VAL CB C 39 35.610 35.610 32.971 2.639 18797 180 1 . 1 1 39 39 VAL H H 39 7.980 7.980 8.249 -0.269 18797 181 1 . 1 1 40 40 ILE N N 40 125.640 125.640 125.940 -0.300 18797 182 1 . 1 1 40 40 ILE C C 40 171.600 171.600 174.599 -2.999 18797 183 1 . 1 1 40 40 ILE CA C 40 58.540 58.540 58.779 -0.239 18797 184 1 . 1 1 40 40 ILE CB C 40 44.130 44.130 41.489 2.641 18797 185 1 . 1 1 40 40 ILE H H 40 9.160 9.160 8.403 0.757 18797 186 1 . 1 1 41 41 GLY N N 41 111.830 111.830 112.475 -0.645 18797 187 1 . 1 1 41 41 GLY C C 41 172.000 172.000 171.947 0.053 18797 188 1 . 1 1 41 41 GLY CA C 41 43.150 43.150 44.129 -0.979 18797 189 1 . 1 1 41 41 GLY H H 41 8.930 8.930 8.318 0.612 18797 190 1 . 1 1 42 42 SER N N 42 116.940 116.940 117.975 -1.035 18797 191 1 . 1 1 42 42 SER C C 42 172.100 172.100 172.705 -0.605 18797 192 1 . 1 1 42 42 SER CA C 42 56.220 56.220 56.285 -0.065 18797 193 1 . 1 1 42 42 SER CB C 42 62.920 62.920 66.300 -3.380 18797 194 1 . 1 1 42 42 SER H H 42 9.190 9.190 8.346 0.844 18797 195 1 . 1 1 43 43 PHE N N 43 129.230 129.230 122.372 6.858 18797 196 1 . 1 1 43 43 PHE C C 43 172.920 172.920 174.949 -2.029 18797 197 1 . 1 1 43 43 PHE CA C 43 55.960 55.960 56.150 -0.190 18797 198 1 . 1 1 43 43 PHE CB C 43 42.430 42.430 42.585 -0.154 18797 199 1 . 1 1 43 43 PHE H H 43 9.300 9.300 8.580 0.720 18797 200 1 . 1 1 44 44 THR N N 44 126.530 126.530 118.715 7.815 18797 201 1 . 1 1 44 44 THR C C 44 171.340 171.340 173.047 -1.707 18797 202 1 . 1 1 44 44 THR CA C 44 60.410 60.410 60.593 -0.183 18797 203 1 . 1 1 44 44 THR CB C 44 70.220 70.220 71.485 -1.265 18797 204 1 . 1 1 44 44 THR H H 44 8.820 8.820 8.404 0.416 18797 205 1 . 1 1 45 45 TYR N N 45 125.840 125.840 125.335 0.505 18797 206 1 . 1 1 45 45 TYR C C 45 174.000 174.000 174.926 -0.926 18797 207 1 . 1 1 45 45 TYR CA C 45 55.670 55.670 55.969 -0.299 18797 208 1 . 1 1 45 45 TYR CB C 45 41.000 41.000 41.997 -0.997 18797 209 1 . 1 1 45 45 TYR H H 45 8.210 8.210 8.581 -0.371 18797 210 1 . 1 1 46 46 THR N N 46 117.670 117.670 120.040 -2.370 18797 211 1 . 1 1 46 46 THR C C 46 171.910 171.910 173.827 -1.917 18797 212 1 . 1 1 46 46 THR CA C 46 58.720 58.720 60.843 -2.123 18797 213 1 . 1 1 46 46 THR CB C 46 71.710 71.710 70.762 0.948 18797 214 1 . 1 1 46 46 THR H H 46 8.550 8.550 8.213 0.337 18797 215 1 . 1 1 47 47 GLU N N 47 112.160 112.160 123.795 -11.635 18797 216 1 . 1 1 47 47 GLU CA C 47 54.580 54.580 54.936 -0.356 18797 217 1 . 1 1 47 47 GLU CB C 47 32.670 32.670 34.067 -1.397 18797 218 1 . 1 1 47 47 GLU H H 47 8.170 8.170 8.942 -0.772 18797 219 1 . 1 1 49 49 SER CA C 49 58.210 58.210 58.329 -0.119 18797 220 1 . 1 1 49 49 SER CB C 49 64.070 64.070 64.004 0.066 18797 221 1 . 1 1 49 49 SER H H 49 174.130 174.130 8.618 165.512 18797 222 1 . 1 1 50 50 ARG N N 50 124.000 124.000 123.600 0.400 18797 223 1 . 1 1 50 50 ARG C C 50 176.270 176.270 175.654 0.616 18797 224 1 . 1 1 50 50 ARG CA C 50 55.960 55.960 56.609 -0.649 18797 225 1 . 1 1 50 50 ARG CB C 50 30.980 30.980 30.984 -0.004 18797 226 1 . 1 1 50 50 ARG H H 50 8.600 8.600 8.511 0.089 18797 227 1 . 1 1 51 51 THR N N 51 115.720 115.720 114.679 1.041 18797 228 1 . 1 1 51 51 THR C C 51 174.400 174.400 173.903 0.497 18797 229 1 . 1 1 51 51 THR CA C 51 61.820 61.820 61.447 0.373 18797 230 1 . 1 1 51 51 THR H H 51 8.240 8.240 8.032 0.208 18797 231 1 . 1 1 52 52 ALA CA C 52 52.000 52.000 52.246 -0.246 18797 232 1 . 1 1 52 52 ALA CB C 52 18.800 18.800 18.866 -0.066 18797 233 1 . 1 1 52 52 ALA H H 52 175.230 175.230 8.356 166.874 18797 234 1 . 1 1 53 53 SER N N 53 113.990 113.990 118.009 -4.019 18797 235 1 . 1 1 53 53 SER C C 53 175.360 175.360 175.030 0.330 18797 236 1 . 1 1 53 53 SER CA C 53 58.350 58.350 57.739 0.611 18797 237 1 . 1 1 53 53 SER CB C 53 62.930 62.930 64.606 -1.676 18797 238 1 . 1 1 53 53 SER H H 53 8.000 8.000 8.093 -0.093 18797 239 1 . 1 1 54 54 SER N N 54 113.510 113.510 118.270 -4.760 18797 240 1 . 1 1 54 54 SER C C 54 173.880 173.880 175.680 -1.800 18797 241 1 . 1 1 54 54 SER CA C 54 58.500 58.500 59.976 -1.476 18797 242 1 . 1 1 54 54 SER CB C 54 62.960 62.960 63.181 -0.221 18797 243 1 . 1 1 54 54 SER H H 54 8.050 8.050 8.681 -0.631 18797 244 1 . 1 1 55 55 GLY N N 55 112.640 112.640 108.415 4.225 18797 245 1 . 1 1 55 55 GLY CA C 55 44.200 44.200 44.904 -0.704 18797 246 1 . 1 1 55 55 GLY H H 55 8.140 8.140 7.921 0.219 18797 247 1 . 1 1 56 56 ASP CA C 56 54.100 54.100 54.995 -0.895 18797 248 1 . 1 1 56 56 ASP CB C 56 41.000 41.000 40.159 0.841 18797 249 1 . 1 1 56 56 ASP H H 56 175.600 175.600 7.675 167.925 18797 250 1 . 1 1 57 57 TYR N N 57 121.140 121.140 119.978 1.162 18797 251 1 . 1 1 57 57 TYR CA C 57 57.280 57.280 58.518 -1.238 18797 252 1 . 1 1 57 57 TYR CB C 57 38.400 38.400 39.774 -1.374 18797 253 1 . 1 1 57 57 TYR H H 57 8.150 8.150 8.111 0.039 18797 254 1 . 1 1 59 59 LYS CA C 59 55.410 55.410 57.048 -1.638 18797 255 1 . 1 1 59 59 LYS CB C 59 34.220 34.220 33.369 0.851 18797 256 1 . 1 1 60 60 ASN N N 60 122.740 122.740 117.520 5.220 18797 257 1 . 1 1 60 60 ASN C C 60 175.260 175.260 173.988 1.272 18797 258 1 . 1 1 60 60 ASN CA C 60 52.200 52.200 52.651 -0.451 18797 259 1 . 1 1 60 60 ASN CB C 60 40.230 40.230 40.087 0.143 18797 260 1 . 1 1 60 60 ASN H H 60 8.360 8.360 8.157 0.203 18797 261 1 . 1 1 61 61 GLN N N 61 120.450 120.450 120.846 -0.396 18797 262 1 . 1 1 61 61 GLN C C 61 172.500 172.500 173.857 -1.357 18797 263 1 . 1 1 61 61 GLN CA C 61 54.740 54.740 54.425 0.316 18797 264 1 . 1 1 61 61 GLN CB C 61 34.840 34.840 33.032 1.808 18797 265 1 . 1 1 61 61 GLN H H 61 8.530 8.530 8.083 0.447 18797 266 1 . 1 1 62 62 TYR N N 62 123.620 123.620 121.845 1.775 18797 267 1 . 1 1 62 62 TYR C C 62 171.430 171.430 174.078 -2.648 18797 268 1 . 1 1 62 62 TYR CA C 62 56.840 56.840 55.942 0.898 18797 269 1 . 1 1 62 62 TYR CB C 62 39.930 39.930 41.947 -2.017 18797 270 1 . 1 1 62 62 TYR H H 62 8.610 8.610 8.339 0.271 18797 271 1 . 1 1 63 63 TYR N N 63 123.920 123.920 123.727 0.193 18797 272 1 . 1 1 63 63 TYR C C 63 174.280 174.280 174.263 0.017 18797 273 1 . 1 1 63 63 TYR CA C 63 54.580 54.580 55.789 -1.209 18797 274 1 . 1 1 63 63 TYR CB C 63 41.320 41.320 42.102 -0.782 18797 275 1 . 1 1 63 63 TYR H H 63 8.400 8.400 8.345 0.055 18797 276 1 . 1 1 64 64 GLY N N 64 107.510 107.510 111.766 -4.256 18797 277 1 . 1 1 64 64 GLY C C 64 174.090 174.090 171.738 2.352 18797 278 1 . 1 1 64 64 GLY CA C 64 44.570 44.570 43.874 0.696 18797 279 1 . 1 1 64 64 GLY H H 64 8.760 8.760 8.311 0.449 18797 280 1 . 1 1 65 65 ILE N N 65 128.470 128.470 124.882 3.588 18797 281 1 . 1 1 65 65 ILE C C 65 174.350 174.350 174.627 -0.277 18797 282 1 . 1 1 65 65 ILE CA C 65 59.960 59.960 59.507 0.453 18797 283 1 . 1 1 65 65 ILE CB C 65 39.740 39.740 40.835 -1.095 18797 284 1 . 1 1 65 65 ILE H H 65 8.900 8.900 8.224 0.676 18797 285 1 . 1 1 66 66 THR N N 66 115.890 115.890 119.629 -3.740 18797 286 1 . 1 1 66 66 THR C C 66 172.600 172.600 172.951 -0.351 18797 287 1 . 1 1 66 66 THR CA C 66 58.670 58.670 59.436 -0.766 18797 288 1 . 1 1 66 66 THR CB C 66 73.100 73.100 71.630 1.470 18797 289 1 . 1 1 66 66 THR H H 66 8.900 8.900 8.393 0.507 18797 290 1 . 1 1 67 67 ALA N N 67 119.730 119.730 123.504 -3.774 18797 291 1 . 1 1 67 67 ALA C C 67 176.670 176.670 175.475 1.195 18797 292 1 . 1 1 67 67 ALA CA C 67 51.500 51.500 50.651 0.849 18797 293 1 . 1 1 67 67 ALA CB C 67 22.060 22.060 22.643 -0.583 18797 294 1 . 1 1 67 67 ALA H H 67 9.370 9.370 8.548 0.822 18797 295 1 . 1 1 68 68 GLY N N 68 104.240 104.240 106.692 -2.452 18797 296 1 . 1 1 68 68 GLY CA C 68 45.920 45.920 44.522 1.398 18797 297 1 . 1 1 68 68 GLY H H 68 8.900 8.900 8.139 0.761 18797 298 1 . 1 1 69 69 PRO CA C 69 61.040 61.040 61.130 -0.090 18797 299 1 . 1 1 69 69 PRO CB C 69 32.690 32.690 32.818 -0.128 18797 300 1 . 1 1 70 70 ALA N N 70 120.220 120.220 127.130 -6.910 18797 301 1 . 1 1 70 70 ALA C C 70 175.590 175.590 175.958 -0.368 18797 302 1 . 1 1 70 70 ALA CA C 70 49.490 49.490 51.128 -1.638 18797 303 1 . 1 1 70 70 ALA CB C 70 20.980 20.980 20.712 0.268 18797 304 1 . 1 1 70 70 ALA H H 70 7.870 7.870 8.636 -0.766 18797 305 1 . 1 1 71 71 TYR N N 71 126.080 126.080 123.436 2.644 18797 306 1 . 1 1 71 71 TYR C C 71 174.090 174.090 174.816 -0.726 18797 307 1 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.129 -1.009 18797 308 1 . 1 1 71 71 TYR CB C 71 41.920 41.920 42.158 -0.238 18797 309 1 . 1 1 71 71 TYR H H 71 9.780 9.780 8.937 0.843 18797 310 1 . 1 1 72 72 ARG N N 72 131.410 131.410 125.652 5.757 18797 311 1 . 1 1 72 72 ARG C C 72 174.160 174.160 174.959 -0.799 18797 312 1 . 1 1 72 72 ARG CA C 72 56.020 56.020 55.077 0.943 18797 313 1 . 1 1 72 72 ARG CB C 72 29.620 29.620 30.725 -1.105 18797 314 1 . 1 1 72 72 ARG H H 72 8.770 8.770 8.328 0.442 18797 315 1 . 1 1 73 73 ILE N N 73 129.550 129.550 125.540 4.009 18797 316 1 . 1 1 73 73 ILE C C 73 175.730 175.730 176.178 -0.448 18797 317 1 . 1 1 73 73 ILE CA C 73 62.950 62.950 60.281 2.669 18797 318 1 . 1 1 73 73 ILE CB C 73 38.510 38.510 38.966 -0.456 18797 319 1 . 1 1 73 73 ILE H H 73 8.400 8.400 8.185 0.215 18797 320 1 . 1 1 74 74 ASN N N 74 114.870 114.870 124.901 -10.031 18797 321 1 . 1 1 74 74 ASN C C 74 174.860 174.860 175.226 -0.366 18797 322 1 . 1 1 74 74 ASN CA C 74 51.830 51.830 54.924 -3.094 18797 323 1 . 1 1 74 74 ASN CB C 74 36.840 36.840 38.660 -1.820 18797 324 1 . 1 1 74 74 ASN H H 74 7.920 7.920 8.760 -0.840 18797 325 1 . 1 1 75 75 ASP N N 75 113.980 113.980 118.956 -4.976 18797 326 1 . 1 1 75 75 ASP C C 75 175.820 175.820 176.434 -0.614 18797 327 1 . 1 1 75 75 ASP CA C 75 56.920 56.920 53.734 3.186 18797 328 1 . 1 1 75 75 ASP CB C 75 40.230 40.230 40.937 -0.707 18797 329 1 . 1 1 75 75 ASP H H 75 8.320 8.320 8.005 0.315 18797 330 1 . 1 1 76 76 TRP N N 76 113.600 113.600 119.851 -6.251 18797 331 1 . 1 1 76 76 TRP C C 76 176.310 176.310 175.380 0.930 18797 332 1 . 1 1 76 76 TRP CA C 76 55.410 55.410 57.152 -1.742 18797 333 1 . 1 1 76 76 TRP CB C 76 31.160 31.160 28.235 2.925 18797 334 1 . 1 1 76 76 TRP H H 76 7.970 7.970 8.275 -0.305 18797 335 1 . 1 1 77 77 ALA N N 77 125.520 125.520 121.453 4.067 18797 336 1 . 1 1 77 77 ALA C C 77 175.620 175.620 176.970 -1.350 18797 337 1 . 1 1 77 77 ALA CA C 77 52.070 52.070 51.384 0.686 18797 338 1 . 1 1 77 77 ALA CB C 77 21.140 21.140 19.440 1.700 18797 339 1 . 1 1 77 77 ALA H H 77 7.740 7.740 7.692 0.048 18797 340 1 . 1 1 78 78 SER N N 78 114.140 114.140 115.646 -1.506 18797 341 1 . 1 1 78 78 SER C C 78 170.060 170.060 173.465 -3.405 18797 342 1 . 1 1 78 78 SER CA C 78 57.250 57.250 59.466 -2.216 18797 343 1 . 1 1 78 78 SER CB C 78 65.320 65.320 64.359 0.961 18797 344 1 . 1 1 78 78 SER H H 78 8.100 8.100 7.582 0.518 18797 345 1 . 1 1 79 79 ILE N N 79 120.650 120.650 123.037 -2.387 18797 346 1 . 1 1 79 79 ILE C C 79 172.470 172.470 174.110 -1.640 18797 347 1 . 1 1 79 79 ILE CA C 79 58.450 58.450 60.034 -1.584 18797 348 1 . 1 1 79 79 ILE CB C 79 42.100 42.100 41.550 0.550 18797 349 1 . 1 1 79 79 ILE H H 79 8.960 8.960 8.147 0.813 18797 350 1 . 1 1 80 80 TYR N N 80 120.580 120.580 125.359 -4.779 18797 351 1 . 1 1 80 80 TYR C C 80 173.000 173.000 173.999 -0.999 18797 352 1 . 1 1 80 80 TYR CA C 80 55.980 55.980 55.332 0.648 18797 353 1 . 1 1 80 80 TYR CB C 80 41.030 41.030 41.487 -0.457 18797 354 1 . 1 1 80 80 TYR H H 80 8.360 8.360 8.416 -0.056 18797 355 1 . 1 1 81 81 GLY N N 81 106.140 106.140 109.034 -2.894 18797 356 1 . 1 1 81 81 GLY C C 81 170.920 170.920 172.184 -1.264 18797 357 1 . 1 1 81 81 GLY CA C 81 44.000 44.000 43.914 0.086 18797 358 1 . 1 1 81 81 GLY H H 81 8.050 8.050 8.278 -0.228 18797 359 1 . 1 1 82 82 VAL N N 82 111.380 111.380 119.793 -8.413 18797 360 1 . 1 1 82 82 VAL C C 82 174.370 174.370 173.620 0.750 18797 361 1 . 1 1 82 82 VAL CA C 82 58.180 58.180 59.558 -1.378 18797 362 1 . 1 1 82 82 VAL CB C 82 35.440 35.440 35.704 -0.264 18797 363 1 . 1 1 82 82 VAL H H 82 8.490 8.490 8.413 0.077 18797 364 1 . 1 1 83 83 VAL N N 83 113.660 113.660 120.283 -6.623 18797 365 1 . 1 1 83 83 VAL C C 83 174.680 174.680 174.700 -0.020 18797 366 1 . 1 1 83 83 VAL CA C 83 59.090 59.090 59.500 -0.410 18797 367 1 . 1 1 83 83 VAL CB C 83 36.020 36.020 35.177 0.843 18797 368 1 . 1 1 83 83 VAL H H 83 8.970 8.970 8.362 0.608 18797 369 1 . 1 1 84 84 GLY N N 84 108.310 108.310 112.396 -4.086 18797 370 1 . 1 1 84 84 GLY C C 84 171.440 171.440 171.904 -0.464 18797 371 1 . 1 1 84 84 GLY CA C 84 46.770 46.770 44.400 2.370 18797 372 1 . 1 1 84 84 GLY H H 84 8.480 8.480 8.608 -0.128 18797 373 1 . 1 1 85 85 VAL N N 85 122.520 122.520 119.321 3.199 18797 374 1 . 1 1 85 85 VAL C C 85 172.560 172.560 174.686 -2.126 18797 375 1 . 1 1 85 85 VAL CA C 85 59.170 59.170 59.751 -0.582 18797 376 1 . 1 1 85 85 VAL CB C 85 35.810 35.810 34.334 1.476 18797 377 1 . 1 1 85 85 VAL H H 85 8.920 8.920 8.098 0.822 18797 378 1 . 1 1 86 86 GLY N N 86 113.360 113.360 114.484 -1.124 18797 379 1 . 1 1 86 86 GLY C C 86 172.210 172.210 171.973 0.237 18797 380 1 . 1 1 86 86 GLY CA C 86 43.280 43.280 43.653 -0.373 18797 381 1 . 1 1 86 86 GLY H H 86 8.880 8.880 8.437 0.443 18797 382 1 . 1 1 87 87 TYR N N 87 123.830 123.830 121.512 2.318 18797 383 1 . 1 1 87 87 TYR C C 87 174.030 174.030 174.519 -0.489 18797 384 1 . 1 1 87 87 TYR CA C 87 55.930 55.930 55.538 0.392 18797 385 1 . 1 1 87 87 TYR CB C 87 42.030 42.030 41.807 0.223 18797 386 1 . 1 1 87 87 TYR H H 87 9.310 9.310 8.528 0.782 18797 387 1 . 1 1 88 88 GLY N N 88 112.300 112.300 108.794 3.506 18797 388 1 . 1 1 88 88 GLY C C 88 170.620 170.620 172.043 -1.423 18797 389 1 . 1 1 88 88 GLY CA C 88 44.400 44.400 43.665 0.735 18797 390 1 . 1 1 88 88 GLY H H 88 8.000 8.000 8.654 -0.654 18797 391 1 . 1 1 89 89 LYS N N 89 122.410 122.410 123.007 -0.597 18797 392 1 . 1 1 89 89 LYS CA C 89 54.480 54.480 54.407 0.073 18797 393 1 . 1 1 89 89 LYS H H 89 8.230 8.230 8.338 -0.108 18797 394 1 . 1 1 90 90 PHE C C 90 175.190 175.190 174.658 0.532 18797 395 1 . 1 1 90 90 PHE CA C 90 55.030 55.030 57.101 -2.071 18797 396 1 . 1 1 90 90 PHE CB C 90 40.510 40.510 41.467 -0.957 18797 397 1 . 1 1 91 91 GLN N N 91 122.380 122.380 125.466 -3.086 18797 398 1 . 1 1 91 91 GLN CA C 91 55.330 55.330 54.742 0.588 18797 399 1 . 1 1 91 91 GLN CB C 91 29.700 29.700 31.397 -1.697 18797 400 1 . 1 1 91 91 GLN H H 91 8.370 8.370 7.985 0.385 18797 401 1 . 1 1 94 94 GLU N N 94 175.780 175.780 120.915 54.865 18797 402 1 . 1 1 94 94 GLU CA C 94 57.030 57.030 57.488 -0.458 18797 403 1 . 1 1 94 94 GLU CB C 94 29.460 29.460 29.682 -0.222 18797 404 1 . 1 1 95 95 TYR N N 95 120.240 120.240 119.110 1.130 18797 405 1 . 1 1 95 95 TYR CA C 95 55.290 55.290 56.809 -1.520 18797 406 1 . 1 1 95 95 TYR CB C 95 37.730 37.730 38.878 -1.148 18797 407 1 . 1 1 95 95 TYR H H 95 7.830 7.830 8.082 -0.252 18797 408 1 . 1 1 97 97 THR CA C 97 62.210 62.210 61.872 0.338 18797 409 1 . 1 1 97 97 THR H H 97 174.320 174.320 7.982 166.338 18797 410 1 . 1 1 98 98 TYR N N 98 122.540 122.540 122.434 0.106 18797 411 1 . 1 1 98 98 TYR C C 98 175.000 175.000 175.838 -0.838 18797 412 1 . 1 1 98 98 TYR CA C 98 57.530 57.530 59.223 -1.693 18797 413 1 . 1 1 98 98 TYR CB C 98 38.350 38.350 38.933 -0.583 18797 414 1 . 1 1 98 98 TYR H H 98 8.040 8.040 8.371 -0.331 18797 415 1 . 1 1 101 101 ASP CA C 101 54.020 54.020 54.469 -0.449 18797 416 1 . 1 1 101 101 ASP CB C 101 39.700 39.700 42.009 -2.309 18797 417 1 . 1 1 101 101 ASP H H 101 176.040 176.040 8.188 167.852 18797 418 1 . 1 1 102 102 THR N N 102 117.650 117.650 115.738 1.912 18797 419 1 . 1 1 102 102 THR C C 102 173.840 173.840 173.458 0.382 18797 420 1 . 1 1 102 102 THR CA C 102 61.590 61.590 61.827 -0.237 18797 421 1 . 1 1 102 102 THR CB C 102 69.970 69.970 70.858 -0.888 18797 422 1 . 1 1 102 102 THR H H 102 8.520 8.520 8.249 0.271 18797 423 1 . 1 1 103 103 SER N N 103 119.470 119.470 118.990 0.479 18797 424 1 . 1 1 103 103 SER C C 103 173.580 173.580 173.115 0.465 18797 425 1 . 1 1 103 103 SER CA C 103 57.310 57.310 57.340 -0.030 18797 426 1 . 1 1 103 103 SER H H 103 8.240 8.240 8.523 -0.283 18797 427 1 . 1 1 104 104 ASP N N 104 122.250 122.250 123.135 -0.885 18797 428 1 . 1 1 104 104 ASP C C 104 173.100 173.100 174.158 -1.058 18797 429 1 . 1 1 104 104 ASP CA C 104 53.600 53.600 53.905 -0.305 18797 430 1 . 1 1 104 104 ASP CB C 104 44.060 44.060 43.728 0.332 18797 431 1 . 1 1 104 104 ASP H H 104 8.270 8.270 8.286 -0.016 18797 432 1 . 1 1 105 105 TYR N N 105 116.040 116.040 119.340 -3.300 18797 433 1 . 1 1 105 105 TYR C C 105 175.860 175.860 175.345 0.515 18797 434 1 . 1 1 105 105 TYR CA C 105 55.550 55.550 56.111 -0.561 18797 435 1 . 1 1 105 105 TYR CB C 105 41.630 41.630 41.243 0.387 18797 436 1 . 1 1 105 105 TYR H H 105 8.560 8.560 8.370 0.190 18797 437 1 . 1 1 106 106 GLY N N 106 108.500 108.500 108.414 0.086 18797 438 1 . 1 1 106 106 GLY C C 106 172.030 172.030 171.658 0.372 18797 439 1 . 1 1 106 106 GLY CA C 106 44.490 44.490 44.106 0.384 18797 440 1 . 1 1 106 106 GLY H H 106 9.190 9.190 8.473 0.717 18797 441 1 . 1 1 107 107 PHE N N 107 121.420 121.420 119.240 2.180 18797 442 1 . 1 1 107 107 PHE C C 107 175.430 175.430 175.256 0.174 18797 443 1 . 1 1 107 107 PHE CA C 107 57.540 57.540 56.931 0.609 18797 444 1 . 1 1 107 107 PHE CB C 107 40.200 40.200 41.247 -1.047 18797 445 1 . 1 1 107 107 PHE H H 107 8.860 8.860 8.620 0.240 18797 446 1 . 1 1 108 108 SER N N 108 123.250 123.250 119.047 4.203 18797 447 1 . 1 1 108 108 SER C C 108 171.430 171.430 172.961 -1.531 18797 448 1 . 1 1 108 108 SER CA C 108 56.100 56.100 56.830 -0.730 18797 449 1 . 1 1 108 108 SER CB C 108 65.720 65.720 65.653 0.067 18797 450 1 . 1 1 108 108 SER H H 108 8.110 8.110 8.646 -0.536 18797 451 1 . 1 1 109 109 TYR N N 109 117.840 117.840 124.173 -6.333 18797 452 1 . 1 1 109 109 TYR C C 109 173.560 173.560 174.127 -0.567 18797 453 1 . 1 1 109 109 TYR CA C 109 55.320 55.320 56.322 -1.002 18797 454 1 . 1 1 109 109 TYR CB C 109 39.560 39.560 42.668 -3.108 18797 455 1 . 1 1 109 109 TYR H H 109 8.480 8.480 8.418 0.062 18797 456 1 . 1 1 110 110 GLY N N 110 106.400 106.400 109.579 -3.179 18797 457 1 . 1 1 110 110 GLY C C 110 171.350 171.350 171.209 0.141 18797 458 1 . 1 1 110 110 GLY CA C 110 46.160 46.160 44.055 2.105 18797 459 1 . 1 1 110 110 GLY H H 110 8.980 8.980 8.211 0.769 18797 460 1 . 1 1 111 111 ALA N N 111 119.140 119.140 120.946 -1.807 18797 461 1 . 1 1 111 111 ALA C C 111 174.640 174.640 174.887 -0.247 18797 462 1 . 1 1 111 111 ALA CA C 111 50.970 50.970 50.355 0.615 18797 463 1 . 1 1 111 111 ALA CB C 111 22.150 22.150 22.750 -0.600 18797 464 1 . 1 1 111 111 ALA H H 111 8.390 8.390 7.810 0.580 18797 465 1 . 1 1 112 112 GLY N N 112 106.070 106.070 106.739 -0.669 18797 466 1 . 1 1 112 112 GLY C C 112 169.770 169.770 171.619 -1.849 18797 467 1 . 1 1 112 112 GLY CA C 112 45.270 45.270 44.440 0.830 18797 468 1 . 1 1 112 112 GLY H H 112 7.820 7.820 7.683 0.137 18797 469 1 . 1 1 113 113 LEU N N 113 116.370 116.370 120.009 -3.639 18797 470 1 . 1 1 113 113 LEU C C 113 175.090 175.090 175.461 -0.371 18797 471 1 . 1 1 113 113 LEU CA C 113 52.690 52.690 53.270 -0.581 18797 472 1 . 1 1 113 113 LEU CB C 113 46.560 46.560 45.996 0.564 18797 473 1 . 1 1 113 113 LEU H H 113 8.930 8.930 8.374 0.556 18797 474 1 . 1 1 114 114 GLN N N 114 115.860 115.860 120.618 -4.758 18797 475 1 . 1 1 114 114 GLN C C 114 176.910 176.910 174.433 2.477 18797 476 1 . 1 1 114 114 GLN CA C 114 53.730 53.730 54.456 -0.726 18797 477 1 . 1 1 114 114 GLN CB C 114 33.290 33.290 32.854 0.436 18797 478 1 . 1 1 114 114 GLN H H 114 7.860 7.860 8.375 -0.515 18797 479 1 . 1 1 115 115 PHE N N 115 126.580 126.580 124.425 2.155 18797 480 1 . 1 1 115 115 PHE C C 115 175.740 175.740 173.043 2.697 18797 481 1 . 1 1 115 115 PHE CA C 115 55.200 55.200 56.865 -1.665 18797 482 1 . 1 1 115 115 PHE CB C 115 43.370 43.370 41.808 1.562 18797 483 1 . 1 1 115 115 PHE H H 115 9.750 9.750 8.651 1.099 18797 484 1 . 1 1 116 116 ASN N N 116 119.920 119.920 123.226 -3.306 18797 485 1 . 1 1 116 116 ASN CA C 116 51.200 51.200 50.352 0.848 18797 486 1 . 1 1 116 116 ASN CB C 116 40.650 40.650 40.229 0.422 18797 487 1 . 1 1 116 116 ASN H H 116 9.450 9.450 8.299 1.151 18797 488 1 . 1 1 117 117 PRO CA C 117 63.700 63.700 61.612 2.088 18797 489 1 . 1 1 118 118 MET N N 118 110.530 110.530 118.708 -8.178 18797 490 1 . 1 1 118 118 MET C C 118 176.130 176.130 176.882 -0.752 18797 491 1 . 1 1 118 118 MET CA C 118 53.980 53.980 56.781 -2.801 18797 492 1 . 1 1 118 118 MET CB C 118 36.310 36.310 32.697 3.613 18797 493 1 . 1 1 118 118 MET H H 118 7.310 7.310 8.244 -0.934 18797 494 1 . 1 1 119 119 GLU N N 119 120.320 120.320 118.303 2.017 18797 495 1 . 1 1 119 119 GLU C C 119 176.810 176.810 177.145 -0.335 18797 496 1 . 1 1 119 119 GLU CA C 119 59.600 59.600 57.621 1.979 18797 497 1 . 1 1 119 119 GLU CB C 119 29.150 29.150 29.185 -0.035 18797 498 1 . 1 1 119 119 GLU H H 119 9.120 9.120 8.838 0.282 18797 499 1 . 1 1 120 120 ASN N N 120 112.490 112.490 117.993 -5.503 18797 500 1 . 1 1 120 120 ASN C C 120 174.080 174.080 176.285 -2.205 18797 501 1 . 1 1 120 120 ASN CA C 120 53.400 53.400 55.268 -1.868 18797 502 1 . 1 1 120 120 ASN CB C 120 38.830 38.830 38.135 0.695 18797 503 1 . 1 1 120 120 ASN H H 120 8.430 8.430 8.712 -0.282 18797 504 1 . 1 1 121 121 VAL N N 121 117.760 117.760 117.129 0.631 18797 505 1 . 1 1 121 121 VAL C C 121 174.750 174.750 175.247 -0.497 18797 506 1 . 1 1 121 121 VAL CA C 121 60.690 60.690 62.311 -1.621 18797 507 1 . 1 1 121 121 VAL CB C 121 34.900 34.900 30.135 4.765 18797 508 1 . 1 1 121 121 VAL H H 121 7.500 7.500 7.302 0.198 18797 509 1 . 1 1 122 122 ALA N N 122 127.190 127.190 123.378 3.812 18797 510 1 . 1 1 122 122 ALA C C 122 175.140 175.140 175.339 -0.199 18797 511 1 . 1 1 122 122 ALA CA C 122 49.390 49.390 50.725 -1.335 18797 512 1 . 1 1 122 122 ALA CB C 122 22.820 22.820 21.885 0.935 18797 513 1 . 1 1 122 122 ALA H H 122 8.230 8.230 7.314 0.916 18797 514 1 . 1 1 123 123 LEU N N 123 120.270 120.270 122.406 -2.136 18797 515 1 . 1 1 123 123 LEU C C 123 174.310 174.310 175.199 -0.889 18797 516 1 . 1 1 123 123 LEU CA C 123 53.660 53.660 53.604 0.056 18797 517 1 . 1 1 123 123 LEU CB C 123 44.510 44.510 46.079 -1.569 18797 518 1 . 1 1 123 123 LEU H H 123 8.910 8.910 8.309 0.601 18797 519 1 . 1 1 124 124 ASP N N 124 127.350 127.350 120.522 6.828 18797 520 1 . 1 1 124 124 ASP C C 124 171.830 171.830 174.412 -2.582 18797 521 1 . 1 1 124 124 ASP CA C 124 53.820 53.820 52.522 1.298 18797 522 1 . 1 1 124 124 ASP CB C 124 47.490 47.490 44.702 2.787 18797 523 1 . 1 1 124 124 ASP H H 124 8.580 8.580 8.277 0.303 18797 524 1 . 1 1 125 125 PHE N N 125 123.390 123.390 122.297 1.093 18797 525 1 . 1 1 125 125 PHE C C 125 174.130 174.130 174.434 -0.304 18797 526 1 . 1 1 125 125 PHE CA C 125 55.660 55.660 56.386 -0.726 18797 527 1 . 1 1 125 125 PHE CB C 125 42.700 42.700 42.916 -0.216 18797 528 1 . 1 1 125 125 PHE H H 125 8.670 8.670 8.389 0.281 18797 529 1 . 1 1 126 126 SER N N 126 118.680 118.680 117.803 0.877 18797 530 1 . 1 1 126 126 SER C C 126 169.980 169.980 172.370 -2.390 18797 531 1 . 1 1 126 126 SER CA C 126 58.120 58.120 56.887 1.233 18797 532 1 . 1 1 126 126 SER CB C 126 66.950 66.950 66.504 0.446 18797 533 1 . 1 1 126 126 SER H H 126 9.390 9.390 8.435 0.955 18797 534 1 . 1 1 127 127 TYR N N 127 119.080 119.080 121.106 -2.026 18797 535 1 . 1 1 127 127 TYR C C 127 174.390 174.390 173.989 0.401 18797 536 1 . 1 1 127 127 TYR CA C 127 55.440 55.440 55.692 -0.252 18797 537 1 . 1 1 127 127 TYR CB C 127 43.100 43.100 41.929 1.171 18797 538 1 . 1 1 127 127 TYR H H 127 8.610 8.610 8.547 0.063 18797 539 1 . 1 1 128 128 GLU N N 128 130.070 130.070 122.387 7.683 18797 540 1 . 1 1 128 128 GLU C C 128 172.590 172.590 174.745 -2.155 18797 541 1 . 1 1 128 128 GLU CA C 128 54.130 54.130 54.258 -0.128 18797 542 1 . 1 1 128 128 GLU CB C 128 33.500 33.500 33.921 -0.421 18797 543 1 . 1 1 128 128 GLU H H 128 8.510 8.510 8.559 -0.049 18797 544 1 . 1 1 129 129 GLN N N 129 128.670 128.670 124.400 4.270 18797 545 1 . 1 1 129 129 GLN C C 129 173.690 173.690 174.660 -0.970 18797 546 1 . 1 1 129 129 GLN CA C 129 53.210 53.210 54.044 -0.834 18797 547 1 . 1 1 129 129 GLN CB C 129 31.050 31.050 32.892 -1.842 18797 548 1 . 1 1 129 129 GLN H H 129 9.330 9.330 8.779 0.551 18797 549 1 . 1 1 130 130 SER N N 130 118.630 118.630 119.828 -1.198 18797 550 1 . 1 1 130 130 SER C C 130 174.210 174.210 174.076 0.134 18797 551 1 . 1 1 130 130 SER CA C 130 56.450 56.450 56.807 -0.357 18797 552 1 . 1 1 130 130 SER CB C 130 66.260 66.260 65.334 0.926 18797 553 1 . 1 1 130 130 SER H H 130 8.580 8.580 8.145 0.435 18797 554 1 . 1 1 131 131 ARG N N 131 126.850 126.850 124.884 1.966 18797 555 1 . 1 1 131 131 ARG C C 131 174.740 174.740 176.076 -1.336 18797 556 1 . 1 1 131 131 ARG CA C 131 55.340 55.340 55.646 -0.306 18797 557 1 . 1 1 131 131 ARG CB C 131 30.910 30.910 31.525 -0.615 18797 558 1 . 1 1 131 131 ARG H H 131 7.690 7.690 8.755 -1.065 18797 559 1 . 1 1 132 132 ILE N N 132 129.470 129.470 124.941 4.529 18797 560 1 . 1 1 132 132 ILE C C 132 175.500 175.500 176.039 -0.539 18797 561 1 . 1 1 132 132 ILE CA C 132 58.890 58.890 61.257 -2.367 18797 562 1 . 1 1 132 132 ILE CB C 132 38.320 38.320 37.496 0.824 18797 563 1 . 1 1 132 132 ILE H H 132 8.730 8.730 8.673 0.057 18797 564 1 . 1 1 133 133 ARG N N 133 127.220 127.220 128.575 -1.355 18797 565 1 . 1 1 133 133 ARG CA C 133 58.110 58.110 55.372 2.738 18797 566 1 . 1 1 133 133 ARG CB C 133 27.320 27.320 30.967 -3.647 18797 567 1 . 1 1 133 133 ARG H H 133 9.400 9.400 8.272 1.128 18797 568 1 . 1 1 134 134 SER C C 134 173.290 173.290 173.530 -0.240 18797 569 1 . 1 1 134 134 SER CA C 134 58.490 58.490 60.204 -1.714 18797 570 1 . 1 1 134 134 SER CB C 134 62.860 62.860 63.113 -0.253 18797 571 1 . 1 1 135 135 VAL N N 135 124.810 124.810 119.156 5.654 18797 572 1 . 1 1 135 135 VAL C C 135 174.650 174.650 174.167 0.483 18797 573 1 . 1 1 135 135 VAL CA C 135 61.870 61.870 61.050 0.820 18797 574 1 . 1 1 135 135 VAL CB C 135 32.060 32.060 34.428 -2.368 18797 575 1 . 1 1 135 135 VAL H H 135 8.270 8.270 7.315 0.955 18797 576 1 . 1 1 136 136 ASP N N 136 127.750 127.750 125.873 1.877 18797 577 1 . 1 1 136 136 ASP C C 136 175.130 175.130 175.443 -0.313 18797 578 1 . 1 1 136 136 ASP CA C 136 54.220 54.220 52.811 1.409 18797 579 1 . 1 1 136 136 ASP CB C 136 41.750 41.750 43.106 -1.356 18797 580 1 . 1 1 136 136 ASP H H 136 8.010 8.010 8.403 -0.393 18797 581 1 . 1 1 137 137 VAL N N 137 124.520 124.520 122.946 1.574 18797 582 1 . 1 1 137 137 VAL C C 137 174.690 174.690 175.216 -0.526 18797 583 1 . 1 1 137 137 VAL CA C 137 60.450 60.450 60.818 -0.368 18797 584 1 . 1 1 137 137 VAL CB C 137 32.800 32.800 33.212 -0.412 18797 585 1 . 1 1 137 137 VAL H H 137 8.720 8.720 7.803 0.917 18797 586 1 . 1 1 138 138 GLY N N 138 116.920 116.920 114.356 2.564 18797 587 1 . 1 1 138 138 GLY C C 138 172.930 172.930 172.812 0.118 18797 588 1 . 1 1 138 138 GLY CA C 138 44.480 44.480 44.350 0.130 18797 589 1 . 1 1 138 138 GLY H H 138 8.240 8.240 8.548 -0.308 18797 590 1 . 1 1 139 139 THR N N 139 125.070 125.070 122.241 2.829 18797 591 1 . 1 1 139 139 THR C C 139 171.920 171.920 173.162 -1.242 18797 592 1 . 1 1 139 139 THR CA C 139 60.890 60.890 61.329 -0.439 18797 593 1 . 1 1 139 139 THR CB C 139 70.290 70.290 71.733 -1.442 18797 594 1 . 1 1 139 139 THR H H 139 8.710 8.710 8.065 0.645 18797 595 1 . 1 1 140 140 TRP N N 140 125.840 125.840 127.756 -1.916 18797 596 1 . 1 1 140 140 TRP C C 140 175.070 175.070 174.440 0.630 18797 597 1 . 1 1 140 140 TRP CA C 140 55.130 55.130 55.678 -0.548 18797 598 1 . 1 1 140 140 TRP CB C 140 32.100 32.100 32.281 -0.181 18797 599 1 . 1 1 140 140 TRP H H 140 8.330 8.330 8.486 -0.156 18797 600 1 . 1 1 141 141 ILE N N 141 123.240 123.240 122.200 1.040 18797 601 1 . 1 1 141 141 ILE C C 141 174.870 174.870 173.612 1.258 18797 602 1 . 1 1 141 141 ILE CA C 141 60.390 60.390 59.025 1.365 18797 603 1 . 1 1 141 141 ILE CB C 141 40.630 40.630 42.061 -1.431 18797 604 1 . 1 1 141 141 ILE H H 141 8.980 8.980 8.548 0.432 18797 605 1 . 1 1 142 142 ALA N N 142 127.680 127.680 127.384 0.296 18797 606 1 . 1 1 142 142 ALA C C 142 175.700 175.700 175.670 0.030 18797 607 1 . 1 1 142 142 ALA CA C 142 50.530 50.530 50.112 0.418 18797 608 1 . 1 1 142 142 ALA CB C 142 22.210 22.210 22.441 -0.231 18797 609 1 . 1 1 142 142 ALA H H 142 8.350 8.350 8.320 0.030 18797 610 1 . 1 1 143 143 GLY N N 143 109.030 109.030 109.518 -0.488 18797 611 1 . 1 1 143 143 GLY C C 143 172.090 172.090 171.725 0.365 18797 612 1 . 1 1 143 143 GLY CA C 143 45.430 45.430 44.205 1.225 18797 613 1 . 1 1 143 143 GLY H H 143 9.520 9.520 8.213 1.307 18797 614 1 . 1 1 144 144 VAL N N 144 114.110 114.110 118.142 -4.032 18797 615 1 . 1 1 144 144 VAL C C 144 174.010 174.010 174.632 -0.622 18797 616 1 . 1 1 144 144 VAL CA C 144 58.270 58.270 58.956 -0.686 18797 617 1 . 1 1 144 144 VAL CB C 144 35.490 35.490 34.880 0.610 18797 618 1 . 1 1 144 144 VAL H H 144 8.750 8.750 8.444 0.306 18797 619 1 . 1 1 145 145 GLY N N 145 107.360 107.360 111.982 -4.621 18797 620 1 . 1 1 145 145 GLY C C 145 171.210 171.210 171.668 -0.458 18797 621 1 . 1 1 145 145 GLY CA C 145 46.770 46.770 44.731 2.039 18797 622 1 . 1 1 145 145 GLY H H 145 8.590 8.590 8.488 0.102 18797 623 1 . 1 1 146 146 TYR N N 146 121.960 121.960 115.804 6.156 18797 624 1 . 1 1 146 146 TYR C C 146 172.440 172.440 173.560 -1.120 18797 625 1 . 1 1 146 146 TYR CA C 146 55.250 55.250 55.361 -0.111 18797 626 1 . 1 1 146 146 TYR CB C 146 44.270 44.270 41.663 2.607 18797 627 1 . 1 1 146 146 TYR H H 146 8.370 8.370 7.893 0.477 18797 628 1 . 1 1 147 147 ARG N N 147 129.590 129.590 120.568 9.022 18797 629 1 . 1 1 147 147 ARG C C 147 173.850 173.850 175.554 -1.704 18797 630 1 . 1 1 147 147 ARG CA C 147 53.360 53.360 54.506 -1.146 18797 631 1 . 1 1 147 147 ARG CB C 147 32.420 32.420 33.251 -0.831 18797 632 1 . 1 1 147 147 ARG H H 147 7.690 7.690 8.247 -0.557 18797 stop_ save_